@article {363,
	title = {CO2 and SO2 interactions with methylated poly(ethyleneimine) functionalized Capacitive Micromachined Ultrasonic Transducers (CMUTs): gas sensing and degradation mechanism},
	journal = {ACS Applied Electronic MaterialsACS Applied Electronic Materials},
	year = {2019},
	note = {doi: 10.1021/acsaelm.9b00151},
	month = {2019/06/10},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acsaelm.9b00151},
	author = {Barauskas, Dovydas and Park, Sang Jae and Pelenis, Donatas and Vanagas, Gailius and Lee, Jason J. and Virzonis, Darius and Jones, Christopher W. and Baltrusaitis, Jonas}
}
@article {347,
	title = {Critical review on the active site structure of sulfated zirconia catalysts and prospects in fuel production},
	journal = {Applied Catalysis A General},
	volume = {572},
	year = {2019},
	month = {2019/02/25/},
	pages = {210 - 225},
	abstract = {This article critically reviews the literature on sulfated zirconia catalysts for variety of important hydrocarbon and oxygenate reactions including ethylene dimerization, isomerization, alkylation and esterification. The catalyst synthesis method-resulting molecular structure relationships, stability and reactive transformations of the active site in response to gas phase environment, reaction mechanisms, reaction intermediates, the corresponding kinetics and effect of some popular promoters are covered. Key structural features of the active sites have been extensively investigated but the conclusive structure is yet to be determined due to the diversity of the preparation methods (nature and crystallinity of the support, sulfate deposition method, sulfate coverage) as well as the diversity of the experimental conditions used during the spectroscopic determination. Similarly, the effect of the promoters and the synergistic effects of the promoter/sulfate sites in the presence of hydrocarbons are not well-defined. Finally, multiple theories exist for the reactive mechanisms on sulfated zirconia but most rely on the homogeneous reaction mechanisms, such as those for ethylene dimerization and butane alkylation with butane. Collectively, these show the lack of a fundamental understanding and the need of modern catalysis studies of this important catalytic system.},
	keywords = {Alkylation, Catalyst, Dimerization, Esterification, Ethylene, Isomerization, Sulfated zirconia},
	isbn = {0926-860X},
	url = {http://www.sciencedirect.com/science/article/pii/S0926860X18306082},
	author = {Yan, George Xu and Wang, Anqi and Wachs, Israel E. and Baltrusaitis, Jonas}
}
@article {367,
	title = {Experimental Insights into the Genesis and Growth of Struvite Particles on Low Solubility Dolomite Mineral Surfaces},
	journal = {The Journal of Physical Chemistry CThe Journal of Physical Chemistry C},
	year = {2019},
	note = {doi: 10.1021/acs.jpcc.9b05292},
	month = {2019/09/24},
	publisher = {American Chemical Society},
	isbn = {1932-7447},
	url = {https://doi.org/10.1021/acs.jpcc.9b05292},
	author = {Kiani, Daniyal and Silva, Manoj and Sheng, Yiying and Baltrusaitis, Jonas}
}
@article {370,
	title = {Inhibitor, co-catalyst, or co-reactant? Probing the different roles of H2S during CO2 hydrogenation on MoS2 catalyst},
	journal = {ACS CatalysisACS Catalysis},
	year = {2019},
	note = {doi: 10.1021/acscatal.9b02986},
	month = {2019/09/20},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acscatal.9b02986},
	author = {Sharma, Lohit and Upadhyay, Ronak and Rangarajan, Srinivas and Baltrusaitis, Jonas}
}
@article {341,
	title = {Mechanochemical Synthesis of Ca- and Mg-Double Salt Crystalline Materials Using Insoluble Alkaline Earth Metal Bearing Minerals},
	journal = {ACS Sustainable Chemistry \& Engineering},
	year = {2019},
	note = {doi: 10.1021/acssuschemeng.8b06129},
	month = {2019/03/05},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acssuschemeng.8b06129},
	author = {Sharma, Lohit and Kiani, Daniyal and Honer, Kenneth and Baltrusaitis, Jonas}
}
@article {375,
	title = {Multifunctional Urea Cocrystal with Combined Ureolysis and Nitrification Inhibiting Capabilities for Enhanced Nitrogen Management},
	journal = {ACS Sustainable Chemistry \& EngineeringACS Sustainable Chemistry \& Engineering},
	volume = {7},
	year = {2019},
	note = {doi: 10.1021/acssuschemeng.9b02607},
	month = {2019/08/05},
	pages = {13369 - 13378},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acssuschemeng.9b02607},
	author = {Mazzei, Luca and Broll, Valquiria and Casali, Lucia and Silva, Manoj and Braga, Dario and Grepioni, Fabrizia and Baltrusaitis, Jonas and Ciurli, Stefano}
}
@article {350,
	title = {Novel Dual-Action Plant Fertilizer and Urease Inhibitor: Urea{\textperiodcentered}Catechol Cocrystal. Characterization and Environmental Reactivity},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {7},
	year = {2019},
	note = {doi: 10.1021/acssuschemeng.8b06293},
	month = {2019/01/22},
	pages = {2852 - 2859},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acssuschemeng.8b06293},
	author = {Casali, Lucia and Mazzei, Luca and Shemchuk, Oleksii and Sharma, Lohit and Honer, Kenneth and Grepioni, Fabrizia and Ciurli, Stefano and Braga, Dario and Baltrusaitis, Jonas}
}
@article {344,
	title = {Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene},
	journal = {ACS Catalysis},
	volume = {9},
	year = {2019},
	note = {doi: 10.1021/acscatal.8b03515},
	month = {2019/01/04},
	pages = {269 - 285},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acscatal.8b03515},
	author = {Taifan, William and E. and Li, Yuanyuan and Baltrus, John P. and Zhang, Lihua and Frenkel, Anatoly I. and Baltrusaitis, Jonas}
}
@article {358,
	title = {The Oxidative Coupling of Methane (OCM) by SiO2-Supported Tungsten Oxide Catalysts Promoted with Mn and Na},
	journal = {ACS Catalysis},
	volume = {9},
	year = {2019},
	note = {doi: 10.1021/acscatal.9b01585},
	month = {2019/05/22},
	publisher = {American Chemical Society},
	chapter = {5912-5928},
	url = {https://pubs.acs.org/doi/abs/10.1021/acscatal.9b01585},
	author = {Kiani, Daniyal and Sourav, Sagar and Wachs, Israel E. and Baltrusaitis, Jonas}
}
@article {354,
	title = {Spatially Resolved Product Speciation During Struvite Synthesis from Magnesite (MgCO3) Particles in Ammonium (NH4+) and Phosphate (PO43-) Aqueous Solutions},
	journal = {The Journal of Physical Chemistry C},
	year = {2019},
	note = {doi: 10.1021/acs.jpcc.8b12252},
	month = {2019/03/21},
	publisher = {American Chemical Society},
	isbn = {1932-7447},
	url = {https://doi.org/10.1021/acs.jpcc.8b12252},
	author = {Lu, Baoying and Kiani, Daniyal and Taifan, William and Barauskas, Dovydas and Honer, Kenneth and Zhang, Lihua and Baltrusaitis, Jonas}
}
@article {342,
	title = {Transient Struvite Formation during Stoichiometric (1:1) NH4+ and PO43{\textendash} Adsorption/Reaction on Magnesium Oxide (MgO) Particles},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {7},
	year = {2019},
	note = {doi: 10.1021/acssuschemeng.8b05318},
	month = {2019/01/07},
	pages = {1545 - 1556},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acssuschemeng.8b05318},
	author = {Kiani, Daniyal and Sheng, Yiying and Lu, Baoying and Barauskas, Dovydas and Honer, Kenneth and Jiang, Zhe and Baltrusaitis, Jonas}
}
@article {315,
	title = {Carnallite-Derived Solid Waste as Potassium (K) and Magnesium (Mg) Source in Granulated Compound NPK Fertilizers},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {6},
	year = {2018},
	note = {doi: 10.1021/acssuschemeng.8b01773},
	month = {2018/07/02},
	pages = {9427 - 9433},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acssuschemeng.8b01773},
	author = {Sharma, Lohit and Brigaityte, Odeta and Honer, Kenneth and Kalfaoglu, Eren and Slinksiene, Rasa and Streimikis, Virginijus and Sviklas, Alfredas Martynas and Baltrusaitis, Jonas}
}
@article {242,
	title = {Design of a separation section in an ethanol-to-butanol process},
	journal = {Biomass and Bioenergy},
	volume = {109},
	year = {2018},
	month = {2018/2//},
	pages = {231 - 238},
	abstract = {AbstractA complete separation scheme has been designed for the effluent of a high-pressure ethanol-to-butanol catalytic reactor, producing 250,000 tonnes of n-butanol per year. The effluent contains water, hydrogen and a diverse range of C2-C4 oxygenates: unconverted ethanol, n-butanol, acetaldehyde, ethyl acetate, and acetal. Fundamental phase equilibrium relationships suggested use of conventional, extractive, and heterogeneous azeotropic distillation units to perform the separations. All reactor effluent species exit the separation process at mole purities of at least 99\%. Separation costs are estimated to range from 9.0 to 10.6 MJ/kg n-butanol, which is comparable with the separation costs of n-butanol obtained from established acetone-butanol-ethanol (ABE) separation process.
},
	isbn = {0961-9534},
	url = {https://www.sciencedirect.com/science/article/pii/S096195341730452X},
	author = {Michaels, Wesley and Zhang, Hanyu and Luyben, William L. and Baltrusaitis, Jonas}
}
@article {304,
	title = {Electrooxidation of Glycerol on Gold in Acidic Medium: A Combined Experimental and DFT Study},
	journal = {The Journal of Physical Chemistry C},
	volume = {122},
	year = {2018},
	note = {doi: 10.1021/acs.jpcc.8b02685},
	month = {2018/05/17},
	pages = {10489 - 10494},
	publisher = {American Chemical Society},
	isbn = {1932-7447},
	url = {https://doi.org/10.1021/acs.jpcc.8b02685},
	author = {Valter, Mikael and Busch, Michael and Wickman, Bj{\"o}rn and Gr{\"o}nbeck, Henrik and Baltrusaitis, Jonas and Hellman, Anders}
}
@article {321,
	title = {In Situ Spectroscopic Insights on the Molecular Structure of the MgO/SiO2 Catalytic Active Sites during Ethanol Conversion to 1,3-Butadiene},
	journal = {The Journal of Physical Chemistry C},
	volume = {122},
	year = {2018},
	note = {doi: 10.1021/acs.jpcc.8b06767},
	month = {2018/09/13},
	pages = {20894 - 20906},
	publisher = {American Chemical Society},
	isbn = {1932-7447},
	url = {https://doi.org/10.1021/acs.jpcc.8b06767},
	author = {Taifan, William and Baltrusaitis, Jonas}
}
@article {286,
	title = {Molecular structure and sour gas surface chemistry of supported K2O/WO3/Al2O3 catalysts},
	journal = {Applied Catalysis B: Environmental},
	volume = {232},
	year = {2018},
	month = {2018/09/15/},
	pages = {146 - 154},
	keywords = {Catalyst, CO, in situ, KO/WO/AlO, SO},
	isbn = {0926-3373},
	url = {http://www.sciencedirect.com/science/article/pii/S0926337318302443},
	author = {Zhu, Minghui and Li, Bin and Jehng, Jih-Mirn and Sharma, Lohit and Taborda, Julian and Zhang, Lihua and Stach, Eric and Wachs, Israel E. and Wu, Zili and Baltrusaitis, Jonas}
}
@article {283,
	title = {Reactive Mechanosynthesis of Urea Ionic Cocrystal Fertilizer Materials from Abundant Low Solubility Magnesium- and Calcium-Containing Minerals},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {6},
	year = {2018},
	note = {doi: 10.1021/acssuschemeng.7b03766},
	month = {2018/04/02},
	pages = {4680 - 4687},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acssuschemeng.7b03766},
	author = {Honer, Kenneth and Pico, Carlos and Baltrusaitis, Jonas}
}
@article {310,
	title = {Smart urea ionic co-crystals with enhanced urease inhibition activity for improved nitrogen cycle management},
	journal = {Chemical Communications},
	volume = {54},
	year = {2018},
	month = {2018},
	pages = {7637 - 7640},
	publisher = {The Royal Society of Chemistry},
	abstract = {A smart ionic co-crystal of urea with KCl and ZnCl2 has been obtained in two polymorphic modifications via mechanochemical and solution methods and proven to be a very efficient urease inhibitor while, simultaneously, able to provide soil nutrients to complement N supply.},
	isbn = {1359-7345},
	url = {http://dx.doi.org/10.1039/C8CC03777A},
	author = {Casali, Lucia and Mazzei, Luca and Shemchuk, Oleksii and Honer, Kenneth and Grepioni, Fabrizia and Ciurli, Stefano and Braga, Dario and Baltrusaitis, Jonas}
}
@article {325,
	title = {Structure and Vibrational Properties of Potassium-Promoted Tungsten Oxide Catalyst Monomeric Sites Supported on Alumina (K2O/WO3/Al2O3) Characterized Using Periodic Density Functional Theory},
	journal = {The Journal of Physical Chemistry C},
	volume = {122},
	year = {2018},
	note = {doi: 10.1021/acs.jpcc.8b08214},
	month = {2018/10/25},
	pages = {24190 - 24201},
	publisher = {American Chemical Society},
	isbn = {1932-7447},
	url = {https://doi.org/10.1021/acs.jpcc.8b08214},
	author = {Kiani, Daniyal and Belletti, Gustavo and Quaino, Paola and Tielens, Frederik and Baltrusaitis, Jonas}
}
@article {200,
	title = {Catalytic conversion of ethanol to 1,3-butadiene on MgO: A comprehensive mechanism elucidation using DFT calculations.},
	journal = {Journal of Catalysis},
	volume = {346},
	year = {2017},
	note = {CAPLUS AN 2016:2125552(Journal)},
	month = {2016///},
	pages = {78-91},
	publisher = {Elsevier Inc.},
	abstract = {In this work, we performed periodic D. Functional Theory calcns. and explored reactive pathways of ethanol catalysis to catalytically form 1,3-butadiene on undoped MgO surface.  We have identified crit. reactive intermediates, as well as thermodn. and kinetic barriers involved in the overall reactive landscape.  The overall free energy surface was explored for the highly debated reaction mechanisms, including Toussaint{\textquoteright}s aldol condensation mechanism, Fripiat{\textquoteright}s Prins mechanism and mechanism based on Ostromislensky{\textquoteright}s hemiacetal rearrangement.  Thermodn. and kinetics data calcd. showed four rate limiting steps in the overall process.  In particular, ethanol dehydration to form ethylene possessed lower energy barrier than dehydrogenation to yield acetaldehyde suggesting competing reactive pathways.  C-C bond coupling to form acetaldol (3-hydroxybutanal) is preceded with 16 kcal/mol forward reaction barrier.  Direct reaction of ethylene and acetaldehyde proceeds with a free energy barrier of 29 kcal/mol suggesting that Prins condensation is an alternative route.  Finally, thermodn. stability of 1-ethoxyethanol prevents further reaction via hemiacetal rearrangement.  The results here provide a first glimpse into the overall 1,3-butadiene formation mechanism on undoped MgO reactive sites in light of the vast literature discussing variety of the proposed mechanistic pathways mostly based on conventional homogenous org. chem. reactions. [on SciFinder(R)]},
	isbn = {0021-9517},
	author = {Taifan, William and Bucko, Tomas and Baltrusaitis, Jonas.}
}
@article {224,
	title = {CH4 and H2S reforming to CH3SH and H2 catalyzed by metal-promoted Mo6S8 clusters: a first-principles micro-kinetic study},
	journal = {Catalysis Science \& Technology},
	volume = {7},
	year = {2017},
	month = {2017},
	pages = {3546 - 3554},
	publisher = {The Royal Society of Chemistry},
	abstract = {Direct processing of sour, e.g. containing large amounts of acidic H2S and/or CO2 molecules, natural gas is of direct interest as vast amounts of it are available and accessible but are underutilized. While sour natural gas is still treated using energy-intensive amine absorption/desorption, here we propose and describe a first step in catalytically producing a value added chemical and energy carrier, CH3SH and H2, respectively. For this purpose, we performed Density Functional Theory (DFT) and microkinetic modelling of CH4 and H2S reaction pathways to form CH3SH and H2 as a first step in elucidating complex yet not explored pathways in oxygen-free sour gas reforming. For this purpose, we utilized bare unpromoted and K- or Ni-promoted Mo6S8 clusters. CH4 dissociation was found to be the rate-determining step above 1100 K on Ni-promoted Mo6S8 while H2 formation was the rate-determining step on the bare and K-promoted Mo6S8. At lower reaction temperatures between 800 and 1100 K, CH3SH formation becomes an important step, especially on Ni-Mo6S8. This method presents an interesting route of direct catalytic sour natural gas processing which potentially leads to high-value hydrocarbons, such as ethylene, using CH3SH as a reactive intermediate.},
	isbn = {2044-4753},
	url = {http://dx.doi.org/10.1039/C7CY00857K},
	author = {Taifan, William and Arvidsson, Adam A. and Nelson, Eric and Hellman, Anders and Baltrusaitis, Jonas}
}
@article {194,
	title = {Chemical and structural changes in polyamide based organic-inorganic hybrid materials upon incorporation of SeS2O2-6 precursor.},
	journal = {Applied Surface Science},
	volume = {392},
	year = {2017},
	note = {CAPLUS AN 2016:1512999(Journal; Online Computer File)},
	month = {2017///},
	pages = {634 - 641},
	publisher = {Elsevier B.V.},
	abstract = {Composite org.-inorg. functional materials are of significant importance in various applications of science and technol.  In this work, physicochem. characterization of such composite materials obtained after the exposure of polyamide PA 6 to K2SeS2O6 precursor soln. was performed.  Chalcogenized polymer surface was characterized using X-ray diffraction, IR, and UV-vis spectroscopies while their bulk chem. anal. was performed using at. absorption spectroscopy.  Crystallite size was not found to change with the exposure to K2SeS2O6 precursor but PA 6 chain-chain sepn. decreased.  Importantly, IR and X-ray analyses showed chem. bonding taking place between the PA 6 and SeS2O2-6 ions via -NH- functional group.  A distinct change in bandgap, Eg, value was obsd. in UV-vis spectra due to the presence of SeS2O2-6, SeSO2-3 and Se2S2O2-6 ions formed via decompn. of the precursor material in acidic medium.  After extended 4 h halcogenation a distinct absorption due to the elemental selenium was also obsd. as obtained from Tauc plots. [on SciFinder(R)]},
	keywords = {hybrid, inorg, optical, org, polyamide, potassium selenotrithionate},
	isbn = {0169-4332},
	author = {Krylova, V. and Dukstiene, N. and Zalenkiene, S. and Baltrusaitis, J.}
}
@article {210,
	title = {Design and control of a cryogenic multi-stage compression refrigeration process},
	journal = {Chemical Engineering Research and Design},
	volume = {121},
	year = {2017},
	month = {2017/5//},
	pages = {360 - 367},
	abstract = {AbstractProviding refrigeration at very low cryogenic temperatures requires the use of several stages of compression refrigeration with progressively lower boiling point refrigerants in the various stages. The cascade of cycles ultimately rejects heat to cooling water, but the working fluid at each stage removes heat from a lower-temperature source and rejects this heat plus the compressor work in that stage to a higher-temperature sink. The design of these systems appears to be only qualitatively discussed in the literature, and no discussion of their plantwide dynamic control has been found.
This paper presents a quantitative design of a three-stage compression refrigeration process that uses methane, ethylene and propylene as the working refrigerant fluids in the three stages. Heat is removed in the condenser of a cryogenic distillation column separating carbon monoxide and methane. The bubble-point temperature of carbon monoxide at 13.9 bar is -158 {\textdegree}C. The distillation column condenser is cooled by evaporating boiling liquid methane at -163 {\textdegree}C. The second stage has an evaporator with boiling ethylene at -106.7 {\textdegree}C. The final stage has an evaporator with boiling propylene at -25.9 {\textdegree}C. An effective plantwide control structure is developed and tested.
},
	keywords = {Compression refrigeration, Compressor control, Multi-stage cycles, Refrigeration dynamic modeling},
	isbn = {0263-8762},
	url = {http://www.sciencedirect.com/science/article/pii/S026387621730151X},
	author = {Johnson, Nicole and Baltrusaitis, Jonas and Luyben, William L.}
}
@article {225,
	title = {Efficiency Evaluation of Dairy Wastewater Derived Zinc Micronutrient Containing Sustainable Fertilizers},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {5},
	year = {2017},
	note = {doi: 10.1021/acssuschemeng.7b00933},
	month = {2017/08/07},
	pages = {6692 - 6699},
	publisher = {American Chemical Society},
	url = {http://dx.doi.org/10.1021/acssuschemeng.7b00933},
	author = {Navizaga, Criztel and Lenzo, Courtney and Zhang, Hanyu and Braziene, Zita and Paltanavicius, Virgilijus and Petrauskiene, Julija and Mazeika, Romas and Staugaitis, Gediminas and Sviklas, Alfredas Martynas and Baltrusaitis, Jonas}
}
@article {233,
	title = {Mechanosynthesis of Magnesium and Calcium Salt{\textendash}Urea Ionic Cocrystal Fertilizer Materials for Improved Nitrogen Management},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {5},
	year = {2017},
	note = {doi: 10.1021/acssuschemeng.7b02621},
	month = {2017/10/02},
	pages = {8546 - 8550},
	publisher = {American Chemical Society},
	url = {http://dx.doi.org/10.1021/acssuschemeng.7b02621},
	author = {Honer, Kenneth and Kalfaoglu, Eren and Pico, Carlos and McCann, Jane and Baltrusaitis, Jonas}
}
@article {222,
	title = {Minireview: direct catalytic conversion of sour natural gas (CH4 + H2S + CO2) components to high value chemicals and fuels},
	journal = {Catalysis Science \& Technology},
	volume = {7},
	year = {2017},
	month = {2017},
	pages = {2919 - 2929},
	publisher = {The Royal Society of Chemistry},
	abstract = {The abundance of natural gas reserves can facilitate the transition from fossil derived to fully renewable chemical and fuel generation. Natural gas, however, can contain more than 10\% sour gas molecules (chiefly CO2 and H2S), especially in the Middle East and Russia. Currently, the most common sour natural gas separation technologies rely on the use of various amine-based absorption-desorption cycles in absorption towers, membrane separation and cryogenic processes. However, these processes are quite expensive and, unfortunately, result in the necessity for further processing of the sour gas stream. We feel that the implementation of catalytic activation of the sour gas stream, so as to form useful products, has been underexplored and thus has yet to be fully developed. In this paper, we present a series of catalytic reactions for the sour gas components so as to obtain useful chemicals or fuels, such as carbon disulfide (CS2), hydrogen (H2), ethylene (C2H4), ammonium sulfate ((NH4)2SO4) and ammonium thiosulfate ((NH4)2S2O3). Particular catalytic reactions which can form those products are (a) CH4 reforming with H2S on supported metal oxide catalysts, (b) CO2 + H2S + H2 catalytic reaction on K2O/WO3/Al2O3 to yield a CH3SH intermediate, (c) olefin production via CH3SH coupling on zeolites and supported metal oxides and (d) H2S + NH3 catalytic reaction to yield ammonium sulfate ((NH4)2SO4) and ammonium thiosulfate ((NH4)2S2O3) on partial oxidation catalysts. Thermodynamic considerations, together with catalyst design techniques, are discussed for each reaction.},
	isbn = {2044-4753},
	url = {http://dx.doi.org/10.1039/C7CY00272F},
	author = {Taifan, William and Baltrusaitis, Jonas}
}
@article {199,
	title = {Spectroscopic and Microscopic Identification of the Reaction Products and Intermediates During the Struvite (MgNH4PO4{\textperiodcentered}6H2O) Formation from Magnesium Oxide (MgO) and Magnesium Carbonate (MgCO3) Microparticles.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {5},
	year = {2017},
	note = {CAPLUS AN 2017:22438(Journal)},
	month = {2017///},
	pages = {1567{\textendash}1577},
	publisher = {American Chemical Society},
	chapter = {1567},
	abstract = {One of the key global challenges forthcoming will be maintaining a clean, useable natural water supply.  Anthropogenic wastewater is an unavoidable result of population growth and societal development; therefore the treatment of wastewater is of the utmost importance.  The mineral struvite (magnesium ammonium phosphate hexahydrate, MgNH4PO4{\textperiodcentered}6H2O) is a cryst. material that occurs naturally in decompg. org. materials and been obsd. in sludge derived from the anaerobic digestion of animal farming liq. wastes and treated wastewater sludge.  The accumulation of struvite on pipe walls and equipment surfaces has plagued the wastewater treatment industry though the formation of struvite prior to the treatment process could potentially provide a pathway for the sustainable recovery of the major nutrients nitrogen (N) and phosphorus (P).  Current methods of nutrient removal from wastewater are mostly based on insol. Fe, Al and Ca salt formation followed by landfill disposal without returning them to the environment.  Struvite is one of the most promising chem. platforms for recovering nutrients, which previously was done using expensive water-sol. magnesium salts.  Our objectives were to examine the potential of low soly., naturally abundant magnesium inorg. materials (MgO and MgCO3) for the utilization of nutrient recovery from wastewater via time resolved ex situ XRD, ATR-FTIR and Raman analyses, and SEM measurements to identify reactive intermediates and use spectroscopic data for kinetics anal.  Our data suggest that a common reactive intermediate between homo- and heterogeneously nucleated struvite exists that is due to the amorphous magnesium hydroxide structural units.  The presence of low coordination O4C-H, O3C-H and O1C-H surface hydroxyl groups, assocd. with the surface steps, edges and kinks is proposed to enhance struvite formation and increase in their abundance and stabilization are suggested for the MgO and MgCO3 prepn. before the struvite recovery.  Two different crystal morphologies (needle and rhomboidal) were obsd. for reactions with 600 and 4000 ppm of (NH4)2HPO4, which were proposed to form due to the kinetic control of the reaction at higher concns.  Finally, Raman spectroscopy was used to measure the relative kinetics of struvite formation utilizing the relative populations of the magnesium carbonate or struvite, as obtained from the area under the 1125 and 950 cm-1 peaks providing a spectroscopic method to monitor reactive solid magnesium source conversion into struvite. [on SciFinder(R)]},
	isbn = {2168-0485},
	author = {Kirinovic, Erica and Leichtfuss, Amanda N and Navizaga, Criztel and Zhang, Hanyu and Schuttlefield-Christus, Jennifer and Baltrusaitis, Jonas}
}
@article {232,
	title = {Surface chemistry of MgO/SiO2 catalyst during the ethanol catalytic conversion to 1,3-butadiene: in-situ DRIFTS and DFT study},
	journal = {Catalysis Science \& Technology},
	volume = {7},
	year = {2017},
	month = {2017},
	pages = {4648 - 4668},
	publisher = {The Royal Society of Chemistry},
	abstract = {1,3-Butadiene is an important commodity chemical and new, selective routes of catalytic synthesis using green feedstocks, such as ethanol, is of interest. For this purpose, surface chemistry of MgO/SiO2 catalyst synthesized using wet-kneading was explored during the reaction of ethanol and the corresponding reactive intermediates, including acetaldehyde, crotonaldehyde, crotyl alcohol using temperature programmed in situ DRIFT spectroscopy combined with DFT calculations. Ethanol adsorption yielded several physisorbed and chemisorbed surface species. Acetaldehyde exhibited high reactivity to form crotonaldehyde. However, aldehyde intermediates resulted in strongly bound surface species stable even at high temperatures, assigned to surface acetate, and/or 2,4-hexadienal or polymerized acetaldehyde. Crotonaldehyde was reduced by ethanol to yield crotyl alcohol via MPV mechanism. Crotyl alcohol, on the other hand, showed to be very reactive and yield two different species on the surface, namely physisorbed and deprotonated that would further desorb as 1,3-BD. Presence of gas phase hydrogen containing molecules, such as ethanol, proved to be key in several reactive steps, including acetaldehyde condensation step and crotonaldehyde reduction. Altogether, these data suggested complex reactive interactions between the surface hydroxyl groups, gaseous reactants and surface bound reactive intermediates during the 1,3-BD formation. Future work is needed to correlate vapor phase product evolution with the transient reactive surface intermediates to examine trends leading to higher overall 1,3-BD selectivity.},
	isbn = {2044-4753},
	url = {http://dx.doi.org/10.1039/C7CY01556A},
	author = {Taifan, William E. and Yan, George X. and Baltrusaitis, Jonas}
}
@article {262,
	title = {Sustainable Ammonia Production},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {5},
	year = {2017},
	note = {doi: 10.1021/acssuschemeng.7b03719},
	month = {2017/11/06},
	pages = {9527 - 9527},
	publisher = {American Chemical Society},
	url = {https://doi.org/10.1021/acssuschemeng.7b03719},
	author = {Baltrusaitis, Jonas}
}
@article {201,
	title = {Adjustable N:P2O5 Ratio Urea Phosphate Fertilizers for Sustainable Phosphorus and Nitrogen Use: Liquid Phase Equilibria via Solubility Measurements and Raman Spectroscopy.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {5},
	year = {2016},
	note = {CAPLUS AN 2016:2113531(Journal)},
	month = {2016///},
	pages = {1747{\textendash}1754},
	publisher = {American Chemical Society},
	abstract = {Design and use of the adjustable N:P2O5 ratio fertilizers is crucial in proper nutrient management if sustainable phosphorus use is to be ensured.  Overfertilization with phosphorus can lead to its fixation in soil, as well as the unwanted environmental phenomena, such as eutrophication.  Urea phosphate, CO(NH2)2{\textperiodcentered}H3PO4, based liq. fertilizers were synthesized in this work, and their resulting physicochem. properties were detd.  For this purpose, phase compn. information on the CO(NH2)2{\textperiodcentered}H3PO4-CO(NH2)2-H2O ternary system was analyzed, and crit. points on the polytherm were detd.  Liq. fertilizer compns. were detd. and their corresponding physicochem. properties established.  Raman spectroscopy showed that CO(NH2)2{\textperiodcentered}H3PO4 partially retains its strong bonding interactions between both mol. adducts in aq. solns. suggesting their improved nitrogen management efficiency in soils.  Effect of these acidic pH fertilizer solns. on the pH of soil was detd. and was found negligible.  The potential of these fertilizers for reducing the loss of nitrogen from the wet soil is also discussed. [on SciFinder(R)]},
	isbn = {2168-0485},
	author = {Navizaga, Criztel and Boecker, Jennifer and Sviklas, Alfredas Martynas and Galeckiene, Jolanta and Baltrusaitis, Jonas}
}
@article {43,
	title = {Bactericidal effect of graphene oxide/Cu/Ag nanoderivatives against Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae, Staphylococcus aureus and Methicillin-resistant Staphylococcus aureus.},
	journal = {International Journal of Pharmaceutics (Amsterdam, Netherlands)},
	volume = {511},
	year = {2016},
	note = {CAPLUS AN 2016:1171677(Journal; Online Computer File)},
	month = {2016},
	pages = {90 - 97},
	publisher = {Elsevier B.V.},
	abstract = {A systematic anal. of antibacterial activity of individual nanoderivatives, e.g. GO nanosheets, Ag and Cu nanoparticles (NPs), as well as combinations of Cu-Ag NPs, and GO-Cu-Ag nanocomposites against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Klebsiella pneumoniae and Methicillin-resistant Staphylococcus aureus (MRSA) was performed.  Chem. properties of the GO, Cu and Ag NPs were detd. employing XPS and X-Ray-excited Auger electron spectroscopy.  Morphol. of corresponding nanoderivatives was studied employing transmission electron microscopy and SEM.  It was shown that combination of Cu and Ag NPs, as well as GO-Cu-Ag nanocomposite material possess enhanced antibacterial activity through a possible synergy between multiple toxicity mechanisms.  MRSA showed highest resistance in all cases. [on SciFinder(R)]},
	keywords = {antibacterial graphene oxide copper silver nanocomposite},
	isbn = {0378-5173},
	author = {Jankauskaite, V. and Vitkauskiene, A. and Lazauskas, A. and Baltrusaitis, J. and Prosycevas, I. and Andrulevicius, M.}
}
@article {44,
	title = {Catalytic methyl mercaptan coupling to ethylene in chabazite: DFT study of the first C-C bond formation.},
	journal = {Applied Catalysis, B: Environmental},
	volume = {187},
	year = {2016},
	note = {CAPLUS AN 2016:133215(Journal; Online Computer File)},
	month = {2016},
	pages = {195 - 203},
	publisher = {Elsevier B.V.},
	abstract = {Me mercaptan, CH3SH, is an industrial waste as well as the reactive product of several H2 and H2S induced catalytic hydrogenation processes of COS and CS2.  Its coupling into value added products is of great importance in monetizing sour natural gas.  The full theor. cycle of catalytic CH3SH coupling to form ethene was studied by d. functional theory (DFT) using chabazite as a model catalyst with emphasis on the first C-C bond formation.  Calcd. thermodn. were compared with those of analogous and well established CH3OH processes to identify the similarities and differences in the reactive pathways.  With few exceptions, CH3SH catalytic transformations are of higher free energy when compared to those of CH3OH.  The trimethylsulfonium ion, TMS, isostructural with that of the trimethyloxonium ion, TMO, is a key reactive intermediate and a thermodynamically stable species leading to ethene formation. [on SciFinder(R)]},
	keywords = {catalysis methyl mercaptan coupling ethylene chabazite DFT carbon bond},
	isbn = {0926-3373},
	author = {Baltrusaitis, J. and Bucko, T. and Michaels, W. and Makkee, M. and Mul, G.}
}
@article {45,
	title = {CH4 conversion to value added products: Potential, limitations and extensions of a single step heterogeneous catalysis.},
	journal = {Applied Catalysis, B: Environmental},
	volume = {198},
	year = {2016},
	note = {CAPLUS AN 2016:1094228(Journal; General Review; Online Computer File)},
	month = {2016},
	pages = {525 - 547},
	publisher = {Elsevier B.V.},
	abstract = {A review.  Natural gas is envisioned as a primary source of energy and hydrocarbons in the foreseeable future.  Though shale gas has recently become abundant, it has two main concerns: its environmental impact and sustainable utilization.  The former is the result of recent reports of natural gas emissions and flares into the environment, where it acts as a powerful greenhouse gas, whereas the latter is dictated by the need for efficient hydrocarbon utilization.  Modern natural gas processing units that yield clean fuels and feedstock from methane, CH4, require extremely large capital investments and are not economical in remote natural gas extn. sites.  Single step (direct), non-syngas based catalytic routes of CH4 conversion to value added products have not been competitive economically and need to be reevaluated in the light of shale gas availability.  This perspective discusses general considerations for the desired hydrocarbon products, the thermodn. limitations involved in a single step conversion of CH4 and heterogeneous catalytic routes based on high temps. and oxide based catalysts.  We then discuss other catalysts and methods of CH4 activation that have recently emerged and are conceptually different from metal oxide catalyst based routes, such as those using sulfur or halogens.  Lastly, we discuss a possible route of CH4 monetization beyond the first reactive product (such as ethylene oligomerization into fuels), as well as currently explored photo(electro)chem. routes of CH4 activation. [on SciFinder(R)]},
	keywords = {review methane conversion heterogeneous catalysis},
	isbn = {0926-3373},
	author = {Taifan, William and Baltrusaitis, Jonas.}
}
@article {46,
	title = {Characterization of urea derived polymeric carbon nitride and resultant thermally vacuum deposited amorphous thin films: Structural, chemical and photophysical properties.},
	journal = {Carbon},
	volume = {107},
	year = {2016},
	note = {CAPLUS AN 2016:1055602(Journal; Online Computer File)},
	month = {2016},
	pages = {415 - 425},
	publisher = {Elsevier Ltd.},
	abstract = {Polymeric carbon nitride (p-CN) was produced using a two-step thermal treatment process of urea without tailoring the reaction pressure and atm.  A systematic anal. employing XPS, Fourier transform IR spectroscopy, Raman scattering and x-ray diffraction (x-ray diffraction) was performed for structural and chem. characterization of p-CN.  Thermal vacuum deposition of thin films (C3N) from p-CN powder was performed, followed by characterization of corresponding structural, chem. and photophys. properties.  The at. force microscopy anal. of these films revealed sheet-like structural fragments distributed along the surface.  The C3N thin films were amorphous as detd. from x-ray diffraction.  C3N can be used as a functional layer for optoelectronic devices. [on SciFinder(R)]},
	keywords = {urea polymeric carbon nitride amorphous film photocatalyst optoelectronic device},
	isbn = {0008-6223},
	author = {Lazauskas, A. and Baltrusaitis, J. and Puodziukynas, L. and Andrulevicius, M. and Bagdziunas, G. and Volyniuk, D. and Meskinis, S. and Niaura, G. and Tamulevicius, T. and Jankauskaite, V.}
}
@article {47,
	title = {Chemical routes to hydrocarbons from pyrolysis of lignocellulose using Cs promoted amorphous silica alumina catalyst.},
	journal = {Catalysis Today},
	volume = {269},
	year = {2016},
	note = {CAPLUS AN 2016:9030(Journal; Online Computer File)},
	month = {2016},
	pages = {156 - 165},
	publisher = {Elsevier B.V.},
	abstract = {Lignocellulos biomass can be converted to bio-oil contg. aliph. hydrocarbons via catalytic pyrolysis at 500 {\textdegree}C in the presence of Cs modified amorphous silica alumina (Cs/ASA).  The reaction routes for the formation of aliph. hydrocarbons was studied using biomass constituent, viz. cellulose, hemicellulose, lignin, and single model components in a pyrolyzer system in conjunction with GC/MS.  The pyrolysis behavior of each biomass constituent was also studied using TGA.  The results showed that in the presence of Cs/ASA catalyst aliph. hydrocarbons can be formed from all the three constituents but mainly from lignin (35\% of total peak area compared to 10\% for cellulose) resulting in high quality bio-oil with 40 Mj kg-1 heating value.  On the other hand, the pyrolysis of single model compds. did not result in the aliph. hydrocarbons.  However, pyrolysis of mixt. of the model compds. yielded in aliph. hydrocarbons indicating effect of intermol. interactions such as hydrogen transfer over Cs+ ions. [on SciFinder(R)]},
	keywords = {hydrocarbon pyrolysis lignocellulose cesium promoted amorphous silica alumina catalyst},
	isbn = {0920-5861},
	author = {Zabeti, Masoud and Baltrusaitis, Jonas and Seshan, K.}
}
@article {48,
	title = {Dairy Wastewater for Production of Chelated Biodegradable Zn Micronutrient Fertilizers.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {4},
	year = {2016},
	note = {CAPLUS AN 2016:221387(Journal; Online Computer File)},
	month = {2016},
	pages = {1722 - 1727},
	publisher = {American Chemical Society},
	abstract = {Zinc contg. org. materials were synthesized using dairy wastewater and solid zinc waste derived from zinc nitrate with the goal of obtaining biodegradable, slow release, micronutrient contg. fertilizers.  The developed synthesis procedure involved heating at mild 55 {\textdegree}C temp., followed by pH adjustment to 7, pptn., and drying.  The resulting solid materials were characterized using wt. anal., thermogravimetric anal. (TGA), X-ray diffraction (XRD), and Fourier transformed IR spectroscopy (FTIR).  Higher wastewater-to-zinc nitrate ratios of 1:1/5 yielded amorphous materials with no inorg. zinc compds. detected.  TGA anal. showed very complex thermal behavior due to the large amt. of orgs. present while FTIR anal. suggested the presence of both coordinated and uncoordinated carboxylic acid and ester groups.  The developed process can have a variety of applications in recovering Zn from waste sources, such as tire crumb, while returning this valuable micronutrient into soil as a slow release biodegradable fertilizer. [on SciFinder(R)]},
	keywords = {dairy wastewater chelated biodegradable zinc micronutrient fertilizer},
	isbn = {2168-0485},
	author = {Zhang, Hanyu and Frey, Megan and Navizaga, Criztel and Lenzo, Courtney and Taborda, Julian and Taifan, William and Sadeghnejad, Abdolhamid and Sviklas, Alfredas Martynas and Baltrusaitis, Jonas.}
}
@article {49,
	title = {Efficient photocatalytic hydrogen evolution system by assembling earth abundant NixOy nanoclusters in cubic MCM-48 mesoporous materials.},
	journal = {RSC Advances},
	volume = {6},
	year = {2016},
	note = {CAPLUS AN 2016:982565(Journal; Online Computer File)},
	month = {2016},
	pages = {59169 - 59180},
	publisher = {Royal Society of Chemistry},
	abstract = {A cubic MCM-48 mesoporous material was employed as a support to encapsulate earth abundant NixOy species (NiO and Ni2O3).  The cubic MCM-48 mesoporous support provides an excellent platform to not only effectively disperse NiO and/or Ni2O3 species but also to limit their particle sizes.  The presence of Ni2O3 species at an optimal amt. seems to enhance the photocatalytic activity of Ni-MCM-48 materials in comparison to a Ni-MCM-48 mesoporous material having only NiO dispersed in it.  In addn., the presence of bulk NiO species also seems to be detrimental to the generation of solar hydrogen.  The apparent quantum yield (AQY) of the most active material, Ni-MCM-48-2.5\% was estd. to be 5.35\%.  This was over 250 times higher than a bulk, NiO (AQY = 0.02\%) under identical exptl. conditions.  This study indicates that MCM-48 can be used as an effective support to disperse NixOy species. [on SciFinder(R)]},
	keywords = {MCM mesoporous material nickel oxide nanocluster photocatalytic hydrogen evolution},
	isbn = {2046-2069},
	author = {Peng, Rui and Shrestha, Khadga and Mishra, Gautam and Baltrusaitis, Jonas and Wu, Chia-Ming and Koodali, Ranjit T.}
}
@article {50,
	title = {Engineered Pelletized Organo-Mineral Fertilizers (OMF) from Poultry Manure, Diammonium Phosphate and Potassium Chloride.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {4},
	year = {2016},
	note = {CAPLUS AN 2016:403621(Journal; Online Computer File)},
	month = {2016},
	pages = {2279 - 2285},
	publisher = {American Chemical Society},
	abstract = {In this work, we engineered a pilot scale process for the prodn. of granulated org.- and organo-mineral fertilizers (OGF and OMF) from poultry manure.  We investigated the effects of moisture content in the manure, energy consumption during the three main stages of the process and the possibility to obtain nutrient balanced fertilizers using conventional straw drying and granulation equipment, common on the farms.  Poultry manure was dried and shredded to no less than 90\% of dry mass at 95 {\textdegree}C.  Granulation was performed via extrusion with and without mineral additives, such as diammonium phosphate (DAP) and potassium chloride (KCl).  This process was used to achieve 4-3-3 OGF, as well as tunable NPK content (4-4-2, 4-3-6 and 4-4-9) OMF.  Energy consumption as the manure dried was about 100 kWh/t of product.  This limiting step of the process suggests that the max. achievable drying of sub 10\% water currently commonly used is not necessarily economically optimal.  DAP was used to increase water-sol. phosphate concn. and was limited to 6\% of the total amt. by the emission of ammonia during the granulation process.  Addnl., the presence of hygroscopic KCl in combination with DAP resulted in significant moisture absorption and loss of the granulized pellet structural integrity after 72 h at 30 {\textdegree}C and 80\% RH.  Significant increases in yields of rapeseed and potato crops were obsd. with the 2 t/ha application of OGF or DAP/KCl enhanced OMF.  The engineered process will provide for sustainable prodn. of nutrient balanced organo-mineral fertilizers on the manure prodn. sites using conventional equipment already used for straw processing. [on SciFinder(R)]},
	keywords = {pelletized organomineral fertilizer poultry manure diammonium phosphate potassium chloride},
	isbn = {2168-0485},
	author = {Mazeika, Romas and Staugaitis, Gediminas and Baltrusaitis, Jonas.}
}
@article {51,
	title = {From Insoluble Minerals to Liquid Fertilizers: Magnesite as a Source of Magnesium (Mg) Nutrient.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {4},
	year = {2016},
	note = {CAPLUS AN 2016:1416487(Journal; Online Computer File)},
	month = {2016},
	pages = {5404 - 5408},
	publisher = {American Chemical Society},
	abstract = {The increase in human population necessitates a tremendous growth in crop prodn. while utilizing sustainable sources of plant nutrients.  Magnesium is an important plant nutrient with high crustal abundance, but the majority (98\%) is incorporated into the crystal lattice of very low soly. minerals, and thus directly unavailable to plants.  Here, we present a procedure based on Mg(NO3)2-Ca(NO3)2-NH4NO3-H2O quaternary phase diagram measurements that can be used to det. the soly. and corresponding crystn. temp. (Tcryst) of magnesium contg. minerals when dissolved in HNO3.  We use a known chem. compn., magnesite, as an example and utilize lab. expts. with model nitrate solns.  Accordingly, chem. compn. and nutrient (N, MgO, CaO) content can be obtained for aq. solns. with Tcryst of 0 {\textdegree}C for use as liq. fertilizers for any low soly. magnesium-contg. minerals (e.g., magnesite, dolomite, talc and serpentinite), abundant in Earth{\textquoteright}s crust but currently only sparingly used as slow release fertilizers. [on SciFinder(R)]},
	keywords = {insoluble mineral liq fertilizer magnesite source magnesium nutrient},
	isbn = {2168-0485},
	author = {Baltrusaitis, J. and Sviklas, A. M.}
}
@article {52,
	title = {Geometry and Electronic Properties of Glycerol Adsorbed on Bare and Transition-Metal Surface-Alloyed Au(111): A Density Functional Theory Study.},
	journal = {Journal of Physical Chemistry C},
	volume = {120},
	year = {2016},
	note = {CAPLUS AN 2015:2083293(Journal; Online Computer File)},
	month = {2016},
	pages = {1749 - 1757},
	publisher = {American Chemical Society},
	abstract = {Quantum chem. calcns. were performed to validate a range of dispersion-cor. functionals to accurately predict and interpret structural, electronic, and vibrational properties of glycerol adsorbed on bare and transition-metal surface-alloyed Au(111) surface.  The optB86b-vdW (van der Waals) was found to have the overall best agreement with expts. concerning lattice const., bulk stress, surface energy, and methanol adsorption among PBE (Perdew-Burke-Ernzerhof), optB88-vdW, optPBE-vdW, vdW-DF (d. functional), vdW-DF2 (d. functional 2nd version), and vdW-BEEF (Bayesian error estn. functional).  Glycerol adsorption energy is found to correlate well with the calcd. d-band center of the transition-metal-contg. Au(111) surface layer.  O-H stretching vibrations are found to be very sensitive of the surface-alloy atom and resulted in large shifts toward lower wavenumbers, when compared to those on bare Au(111).  The latter results clearly show that adsorption of glycerol to surface-alloy atoms can be monitored in situ by IR spectroscopy. [on SciFinder(R)]},
	keywords = {glycerol gold adsorption energy electronic structure},
	isbn = {1932-7447},
	author = {Baltrusaitis, Jonas and Valter, Mikael and Hellman, Anders.}
}
@article {53,
	title = {Greenhouse Gas Molecule CO2 Detection Using a Capacitive Micromachined Ultrasound Transducer.},
	journal = {Analytical Chemistry (Washington, DC, United States)},
	volume = {88},
	year = {2016},
	note = {CAPLUS AN 2016:1006491(Journal; Online Computer File)},
	month = {2016},
	pages = {6662 - 6665},
	publisher = {American Chemical Society},
	abstract = {We manufd. and tested a capacitive micromachined ultrasound transducer (CMUT)-based sensor for CO2 detection at environmentally relevant concns. using polyethylenimine as a CO2 binding material.  The assembly of a sensing chip was 10 {\texttimes} 20 mm, and up to 5 gases can potentially be detected simultaneously using a masking technique and different sensing materials.  The limit of detection was calcd. to be 0.033 CO2 vol. \% while the limit of quantification was calcd. to be 0.102\%.  The sensor exhibited a linear response between 0.06\% and 0.30\% CO2 while concns. close to those in flue gas can also be measured using diln. with inert gas. [on SciFinder(R)]},
	keywords = {greenhouse gas carbon dioxide capacitive micromachined ultrasound transducer},
	isbn = {0003-2700},
	author = {Barauskas, Dovydas and Pelenis, Donatas and Virzonis, Darius and Baltrus, John P. and Baltrusaitis, Jonas.}
}
@article {54,
	title = {Hematite decorated multi-walled carbon nanotubes (α-Fe2O3/MWCNTs) as sorbents for Cu(II) and Cr(VI): comparison of hybrid sorbent performance to its nanomaterial building blocks.},
	journal = {RSC Advances},
	volume = {6},
	year = {2016},
	note = {CAPLUS AN 2016:1655141(Journal; Online Computer File)},
	month = {2016},
	pages = {99997 - 100007},
	publisher = {Royal Society of Chemistry},
	abstract = {Major hurdles in the application of engineered nanomaterials for water treatment include loss of reactive surface area arising from particle aggregation and the development of application platforms that limit their potential release into the treated water supply.  Here, we develop hybrid nanostructures through the growth of hematite (α-Fe2O3) nanoparticles, which are recognized sorbents for various heavy metals, on multi-walled carbon nanotubes (MWCNTs).  The hybrid nanostructures were synthesized via hydrolysis of ferric nitrate in the presence of carboxylated MWCNTs, and their activity as sorbents toward Cu(II) and chromate (CrO42-) was examd. as a function of pH (i.e., pH-edge expts.) and initial metal concn. (i.e., adsorption isotherms).  Characterization of α-Fe2O3/MWCNT nanostructures via Raman spectroscopy and transmission electron microscopy (TEM) with selected area electron diffraction (SAED) confirmed the deposited iron phase as α-Fe2O3.  Further, complementary acid digestions and TEM imaging revealed that the amt. (0.1 and 0.5 g g-1 α-Fe2O3/MWCNT) and size [5.9 ({\textpm}1.1) and 8.9 ({\textpm}1.5) nm, resp.] of α-Fe2O3 nanoparticles immobilized on MWCNTs were tunable during synthesis.  Generally, mass-normalized concns. of adsorbed Cu(II) and CrO42- were greatest for α-Fe2O3/MWCNT hybrids relative to adsorption on either carboxylated MWCNTs or freely suspended α-Fe2O3 nanoparticles, with evidence implicating α-Fe2O3 as the active sorbent phase in hybrid materials.  Indeed, per unit mass of available α-Fe2O3, hybrid sorbents exhibited capacities comparable to or exceeding most other iron-based sorbents for Cu(II) and CrO42- (from 220 to 470 mg Cu(II) per g α-Fe2O3 and 60 mg CrO42- per g α-Fe2O3, resp., at pH 6 and 20 {\textdegree}C).  The enhanced sorption capacity of the hybrid nanostructures is due, at least in part, to the greater available surface area of α-Fe2O3 nanoparticles immobilized on MWCNTs when compared to their more extensively aggregated state in suspension.  Notable differences in the pH-dependent trends of Cu(II) and CrO42- uptake on α-Fe2O3/MWCNT hybrids, along with differences in zeta potential measurements across pH, also suggest that the immobilized α-Fe2O3 nanoparticles may exhibit unique surface reactivity relative to their freely suspended analogs as a result of their assocn. with the neg. charged MWCNT surface. [on SciFinder(R)]},
	keywords = {hematite MWCNT copper chromium hybrid sorbent nanomaterial building block},
	isbn = {2046-2069},
	author = {Verdugo, Edgard M. and Xie, Yang and Baltrusaitis, Jonas and Cwiertny, David M.}
}
@article {55,
	title = {Molecular and Morphological Structure of Poultry Manure Derived Organo-Mineral Fertilizers (OMFs).},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {4},
	year = {2016},
	note = {CAPLUS AN 2016:1191726(Journal; Online Computer File)},
	month = {2016},
	pages = {4788 - 4796},
	publisher = {American Chemical Society},
	abstract = {In this work, we detd. the mol. and morphol. structures of complex granulated org. and organo-mineral fertilizers (OGFs and OMFs) obtained from poultry manure and mineral additives, such as diammonium phosphate (DAP) and potassium chloride (KCl).  XRD data indicated complex compns. of the mineral additives DAP and KCl, while OGF and OMF exhibited amorphous backgrounds with small peaks due to the common Earth crust minerals (Si, Mg, Zn, Ca).  Addn. of DAP generated several new chem. compds., while KCl did not react.  Thermogravimetric anal. indirectly showed mineral-mineral interactions at high temps., as can be inferred from their 478 {\textdegree}C peak shift.  Spatially resolved SEM-EDS anal. showed a particularly interesting colocalization of potassium, sulfur, and phosphorus within the OMF, suggesting a reactive salt interaction between DAP and minerals inherently present in OGF.  FTIR anal., on the other hand, did not show significant involvement of org. moieties with the interactions of mineral additives, suggesting org. compds. act mostly as inert support for DAP and KCl.  Collectively, these data suggest a complex nature of the OGF and OMF at the mol. and cryst. levels, which improves our understanding of these complex systems with direct relevance to sustainable nutrient management. [on SciFinder(R)]},
	keywords = {morphol poultry manure organomineral fertilizer},
	isbn = {2168-0485},
	author = {Mazeika, Romas and Dambrauskas, Tadas and Baltakys, Kestutis and Mikolajunas, Marius and Staugaitis, Gediminas and Virzonis, Darius and Baltrusaitis, Jonas.}
}
@article {56,
	title = {Reversible Photohydration of Trenbolone Acetate Metabolites: Mechanistic Understanding of Product-to-Parent Reversion through Complementary Experimental and Theoretical Approaches.},
	journal = {Environmental Science \& Technology},
	volume = {50},
	year = {2016},
	note = {CAPLUS AN 2016:126331(Journal; Online Computer File)},
	month = {2016},
	pages = {6753 - 6761},
	publisher = {American Chemical Society},
	abstract = {Photolysis expts. (in H2O and D2O) and quantum chem. calcns. were performed to explore the pH-dependent, reversible photohydration of trenbolone acetate (TBA) metabolites.  Photohydration of 17α-trenbolone (17α-TBOH) and 17β-trenbolone (17β-TBOH) occurred readily in simulated sunlight to yield hydrated products with incorporated H+ at C4 and OH- at either C5 (5-OH-TBOH) or C12 (12-OH-TBOH) in the tetracyclic steroid backbone.  Although unable to be elucidated anal., theory suggests preferred orientations of cis-12-OH-TBOH (relative to C13 methyl) and trans-5-OH-TBOH, with the former most thermodynamically stable overall.  Both expt. and theory indicate limited stability of trans-5-OH-TBOH at acidic pH where it undergoes concurrent, carbocation-mediated thermal rearrangement to cis-12-OH-TBOH and dehydration to regenerate its parent structure.  Expts. revealed cis-12-OH-TBOH to be more stable at acidic pH, which is the only condition where its reversion to parent TBA metabolite occurred.  At basic pH cis-12-OH-TBOH decayed quickly via hydroxide/water addn., behavior that theory attributes to the formation of a stable enolate resistant to dehydration but prone to thermal hydration.  In a noteworthy deviation from predicted theor. stability, 17α-TBOH photohydration yields major trans-5-OH-TBOH and minor cis-12-OH-TBOH, a distribution also opposite that obsd. for 17β-TBOH.  Because H+ and OH- loss from adjacent carbon centers allows trans-5-OH-TBOH to dehydrate at all pH values, the presumed kinetically controlled yield of 17α-TBOH photohydrates results in a greater propensity for 17α-TBOH reversion than 17β-TBOH.  Addnl. calcns. explored minor, but potentially bioactive, trenbolone analogs that could be generated via alternative rearrangement of the acidic carbocation intermediate. [on SciFinder(R)]},
	keywords = {trenbolone acetate metabolite reversible photohydration mechanism},
	isbn = {0013-936X},
	author = {Baltrusaitis, Jonas and Patterson, Eric V. and O{\textquoteright}Connor, Meghan and Qu, Shen and Kolodziej, Edward P. and Cwiertny, David M.}
}
@article {57,
	title = {Solar hydrogen generation over CdS incorporated in Ti-MCM-48 mesoporous materials under visible light illumination.},
	journal = {International Journal of Hydrogen Energy},
	volume = {41},
	year = {2016},
	note = {CAPLUS AN 2016:137661(Journal; Online Computer File)},
	month = {2016},
	pages = {4106 - 4119},
	publisher = {Elsevier Ltd.},
	abstract = {MCM-48 cubic mesoporous materials contg. CdS and spatially isolated titania nanoclusters were prepd. in this study.  Powder X-ray diffraction (XRD), nitrogen adsorption isotherm, transmission electron microscopy (TEM), at. absorption spectrophotometry (AAS), UV-Visible diffuse reflectance spectroscopy (DRS), XPS, and ESR (EPR) studies were employed for the characterization of the CdS contg. Ti-MCM-48 mesoporous materials.  In the current study, all the samples showed photocatalytic activity under visible light (λ > 400 nm) irradn. for prodn. of hydrogen from splitting of water without Pt as a co-catalyst.  The solar hydrogen evolution rate by visible light irradn. seemed to be dependent on CdS and TiO2 content and the most active photocatalyst produced hydrogen at a rate of 2.726 mmol/h/gcatalyst.  The apparent quantum yield of the most active photocatalyst was estd. to be 36.3\%. [on SciFinder(R)]},
	keywords = {photocatalyst photocatalysis, solar hydrogen cadmium sulfide titanium Mzeolite mesoporous visible light},
	isbn = {0360-3199},
	author = {Peng, Rui and Wu, Chia-Ming and Baltrusaitis, Jonas and Dimitrijevic, Nada M. and Rajh, Tijana and Koodali, Ranjit T.}
}
@article {58,
	title = {Surface chemistry of carbon dioxide revisited.},
	journal = {Surface Science Reports},
	volume = {71},
	year = {2016},
	note = {CAPLUS AN 2016:1627850(Journal; General Review; Online Computer File)},
	month = {2016},
	pages = {595 - 671},
	publisher = {Elsevier B.V.},
	abstract = {A review.  This review discusses modern developments in CO2 surface chem. by focusing on the work published since the original review by H.J.  Freund and M.W.  Roberts two decades ago (Surface Science Reports 25 (1996) 225-273).  It includes relevant fundamentals pertaining to the topics covered in that earlier review, such as conventional metal and metal oxide surfaces and CO2 interactions thereon.  While UHV spectroscopy has routinely been applied for CO2 gas-solid interface anal., the present work goes further by describing surface-CO2 interactions under elevated CO2 pressure on non-oxide surfaces, such as zeolites, sulfides, carbides and nitrides.  Furthermore, it describes addnl. salient in situ techniques relevant to the resoln. of the interfacial chem. of CO2, notably IR spectroscopy and state-of-the-art theor. methods, currently used in the resoln. of solid and sol. carbonate species in liq.-water vapor, liq.-solid and liq.-liq. interfaces.  These techniques are directly relevant to fundamental, natural and technol. settings, such as heterogeneous and environmental catalysis and CO2 sequestration. [on SciFinder(R)]},
	keywords = {review surface chem carbon dioxide revisited},
	isbn = {0167-5729},
	author = {Taifan, William and Boily, Jean-Francois and Baltrusaitis, Jonas.}
}
@article {59,
	title = {Characterization of linear alkyl phosphonate self-assembled on perovskite substrate.},
	journal = {Applied Surface Science},
	volume = {344},
	year = {2015},
	note = {CAPLUS AN 2015:565720(Journal; Online Computer File)},
	month = {2015},
	pages = {159 - 162},
	publisher = {Elsevier B.V.},
	abstract = {In recent years, functional material surface functionalization has grown into an expanding area of research due to the development and design of advanced systems and devices for key areas in biotechnol., smart sensing, environmental applications and manufg.  NdNiO3 surface was functionalized with octadecylphosphonic acid (ODP) using liq. phase reaction to attain superhydrophobic properties.  The resulting ODP modified surface exhibited dual-scale roughness with a stable static contact angle of 170 {\textpm} 2{\textdegree}.  Electron microscopy micrographs of ODP crystals formed revealed a nonuniform lateral growth characteristics.  The presence of ODP hydrocarbon chains was confirmed using FTIR spectroscopy with characteristic peaks at 2924 cm-1 and 2851 cm-1. [on SciFinder(R)]},
	keywords = {linear alkyl phosphonate self assembled perovskite substrate},
	isbn = {0169-4332},
	author = {Lazauskas, A. and Baltrusaitis, J. and Grigaliunas, V. and Prosycevas, I.}
}
@article {60,
	title = {Combination of Argentophilic and Perfluorophenyl-Perfluorophenyl Interactions Supports a Head-to-Head [2 + 2] Photodimerization in the Solid State.},
	journal = {Crystal Growth \& Design},
	volume = {15},
	year = {2015},
	note = {CAPLUS AN 2014:2132397(Journal; Online Computer File)},
	month = {2015},
	pages = {538 - 541},
	publisher = {American Chemical Society},
	abstract = {Face-to-face perfluorophenyl-perfluorophenyl interactions (C6F5{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}C6F5) are achieved in a disilver metal-org. complex.  The C6F5{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}C6F5 interactions along with argentophilic forces support trans-pentafluorostilbazole to undergo a head-to-head [2 + 2] photodimerization to form a cyclobutane that sustains a fluorinated two-dimensional metal-org. framework. [on SciFinder(R)]},
	keywords = {combination argentophilic Perfluorophenyl interaction photodimerization solid state},
	isbn = {1528-7483},
	author = {Sinnwell, Michael A. and Baltrusaitis, Jonas and MacGillivray, Leonard R.}
}
@article {61,
	title = {Cycloexpansamines A and B: spiroindolinone alkaloids from a marine isolate of Penicillium sp. (SF-5292).},
	journal = {Journal of Antibiotics},
	volume = {68},
	year = {2015},
	note = {CAPLUS AN 2015:1911729(Journal; Online Computer File)},
	pages = {715 - 718},
	publisher = {Nature Publishing Group},
	abstract = {Cycloexpansamines A (I) and B (II) were isolated from the title fungus and characterized. [on SciFinder(R)]},
	keywords = {cycloexpansamine Penicillium},
	isbn = {0021-8820},
	author = {Lee, Chiwook and Sohn, Jae Hak and Jang, Jae-Hyuk and Ahn, Jong Seog and Oh, Hyuncheol and Baltrusaitis, Jonas and Hwang, In Hyun and Gloer, James B.}
}
@article {62,
	title = {Decomposition of 2-naphthol in water using a non-thermal plasma reactor.},
	journal = {Chemical Engineering Journal (Amsterdam, Netherlands)},
	volume = {260},
	year = {2015},
	note = {CAPLUS AN 2014:1516401(Journal; Online Computer File)},
	pages = {188 - 198},
	publisher = {Elsevier B.V.},
	abstract = {We examd. the degrdn. of 2-naphthol in a pilot dielec. barrier discharge semi-continuously operated non-thermal plasma reactor.  Plasma was generated in a quartz tube with the ambient air used as a feed gas for the reactor.  The performance of the reactor was evaluated according to the ozone amt. produced both in the gas and liq. phase, as well as the overall decompn. efficiency of 2-naphthol.  The decompn. kinetics, as well as the intermediary reactive products of 2-naphthol decompn. were detd. using the combination of high performance liq. chromatog. with UV detection (HPLC/UV), Fourier transform IR spectroscopy (FTIR), and gas chromatog./mass spectroscopy (GC/MS) analyses.  The overall effectiveness of the process was established according to the degree of total org. carbon (TOC) mineralization, while toxicity tests were performed using Daphnia magna.  Ozone prodn. (i.e., its concn. in the gas phase), ranged between 0.39 and 1.52 mg L-1 when varying the discharge power between 5-33 W.  The decompn. efficiency of 2-naphthol reached 98.6\% in 6 min at 33 W based on HPLC measurements.  FTIR and GC/MS analyses revealed that degrdn. intermediates consisted mostly of oxygen functional group contg. compds., such as carboxylic acids.  Based on the data reported here, we propose a novel dual stage org. wastewater decompn. reactor utilizing excess renewable electricity. [on SciFinder(R)]},
	keywords = {naphthol decompn wastewater dielec barrier discharge plasma reactor},
	isbn = {1385-8947},
	author = {Krugly, Edvinas and Martuzevicius, Dainius and Tichonovas, Martynas and Jankunaite, Dalia and Rumskaite, Inga and Sedlina, Jolanta and Racys, Viktoras and Baltrusaitis, Jonas.}
}
@article {63,
	title = {Deposition, structure and properties of polyamide-CdSe-CdS composite material using sorption-diffusion method.},
	journal = {Applied Surface Science},
	volume = {325},
	year = {2015},
	note = {CAPLUS AN 2014:2017757(Journal; Online Computer File)},
	pages = {175 - 184},
	publisher = {Elsevier B.V.},
	abstract = {Polyamide (PA) incorporated CdSe-CdS films were deposited using sorption-diffusion method.  A single precursor - K2SeS2O6 was used as both sulfur and selenium source.  In aq. soln., SeS2O2-6 diffused into the polymer where it reacted with Cd2+ ions to form cadmium chalcogenide particles.  Crystallinity of the composite material was analyzed via XRD and both CdSe and CdS were detected within the material at all deposition conditions of temp. and SeS2O2-6 - chalcogenization - exposure time.  A complex surface speciation was obtained using XPS anal.  Formation of the protonated amide species was obsd. in combination with the adsorbed SO2-4 on the surface of the polymer confirming that SeS2O2-6 and its decompn. products hydrolyzed to form cadmium chalcogenides and H2SO4.  A significant red shift in UV-vis spectrum was obsd. with the increasing chalcogenization time of PA, whereas Cd2+ soln. temp. had very little effect on the apparent thickness and the optical properties of the composite materials.  SEM surface anal. revealed sub-micron particles deposited on top of the PA-CdSe-CdS composite materials in continuous overlapping films, showing a possible dual crystal growth mechanism. [on SciFinder(R)]},
	keywords = {polyamide cadmium selenide sulfide nanocomposite},
	isbn = {0169-4332},
	author = {Zalenkiene, S. and Krylova, V. and Baltrusaitis, J.}
}
@article {65,
	title = {Electrochemically Deposited Sb and In Doped Tin Sulfide (SnS) Photoelectrodes.},
	journal = {Journal of Physical Chemistry C},
	volume = {119},
	year = {2015},
	note = {CAPLUS AN 2015:427097(Journal; Online Computer File)},
	pages = {6471 - 6480},
	publisher = {American Chemical Society},
	abstract = {Semiconducting tin sulfide (SnS) was deposited electrochem. from electrolytes contg. Sn and S precursors and conditions optimized to maximize its performance as a photoelectrode.  Films composed of primarily orthorhombic SnS were electrodeposited on titanium substrates from electrolyte contg. 20 mM SnSO4 and 100 mM Na2S2O3 at pH 2.5.  For deposition a cathodic pulse of -1.25 V vs Ag/AgCl was applied for 2.75 s followed by a 0.25 s pulse of +0.25 V vs Ag/AgCl repeated for 30-45 min.  The films were annealed in argon at 300 {\textdegree}C for 3 h.  The addn. of SbCl3 (<5\%) to the electrolyte gave rise to doping of the SnS film with Sb which resulted in an increase in the photocurrent as well as a switch from p- to n-type semiconducting behavior in an acidified Na2S2O3 electrolyte.  Incorporation of p-type In into the films from addn. of In(NO3)3 had a smaller effect on the measured photocurrent, and at higher precursor concn. (>5\%) the dopants resulted in the formation of secondary phases of Sb and In oxides with redn. in the measured photocurrent.  This doped SnS material could potentially be used in systems for the photoelectrochem. prodn. of hydrogen and oxidn. of org. wastewater.  D. functional theory calcns. supported the exptl. obsd. cond. increase for photoelectrons as an Sb dopant induced curvature of the valence band.  These calcns. also provided an explanation to the previous exptl. work where Sb doping was used to decrease the resistivity of SnS films.  The combination of an automated electrodeposition of an earth abundant metal sulfide with the theor. calcns. to guide the synthesis is an exemplar of how to improve the efficiency of SnS-based solar energy conversion materials. [on SciFinder(R)]},
	keywords = {antimony indium doping tin sulfide photoelectrode hydrogen wastewater oxidn},
	isbn = {1932-7447},
	author = {Seal, Mark and Singh, Nirala and McFarland, Eric W. and Baltrusaitis, Jonas.}
}
@article {64,
	title = {Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles.},
	journal = {Surface Science},
	volume = {640},
	year = {2015},
	note = {CAPLUS AN 2015:594301(Journal; Online Computer File)},
	pages = {45 - 49},
	publisher = {Elsevier B.V.},
	abstract = {The oxygen evolution reaction on hydroxyl- and oxygen-terminated hematite was investigated using first-principle calcns. within a theor. electrochem. framework.  Both pristine hematite and hematite contg. oxygen vacancies were considered.  The onset potential was detd. to be 1.79 V and 2.09 V vs. the reversible hydrogen electrode (RHE) for the pristine hydroxyl- and oxygen-terminated hematite, resp.  The presence of oxygen vacancies in the hematite surface resulted in pronounced shifts of the onset potential to 3.09 V and 1.83 V, resp.  Electrochem. oxidn. measurements conducted on thin-film hematite anodes, resulted in a measured onset potential of 1.66 V vs.  RHE.  Furthermore, the threshold potential between the hydroxyl- and oxygen-terminated hematite was detd. as a function of pH.  The results indicate that electrochem. water oxidn. on hematite occurs on the oxygen-terminated hematite, contg. oxygen vacancies. [on SciFinder(R)]},
	keywords = {OER hydroxyl oxygen terminated hematite Electrooxidn water DFT},
	isbn = {0039-6028},
	author = {Hellman, Anders and Iandolo, Beniamino and Wickman, Bjoern and Groenbeck, Henrik and Baltrusaitis, Jonas.}
}
@article {66,
	title = {Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model.},
	journal = {Applied Surface Science},
	volume = {326},
	year = {2015},
	note = {CAPLUS AN 2014:1997137(Journal; Online Computer File)},
	pages = {151 - 161},
	publisher = {Elsevier B.V.},
	abstract = {Accurate elemental oxidn. state detn. for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chem., fundamental and applied surface science, catalysis, semiconductors and many others.  XPS is the primary tool used for this purpose.  The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation.  Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here the authors develop and present an XPS data processing method based on vector anal. that allows creating XPS spectral components by incorporating key information, obtained exptl.  XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidn. states and degree of crystallinity, were processed using this method and the corresponding oxidn. states present, as well as their relative distribution was elucidated.  Monitoring the evolution of the chem. and crystal structure of a molybdenum oxide sample due to an invasive x-ray probe could be used to infer solns. to complex spectral envelopes. [on SciFinder(R)]},
	keywords = {molybdenum oxide surface analysis XPS detn informed amorphous model},
	isbn = {0169-4332},
	author = {Baltrusaitis, Jonas and Mendoza-Sanchez, Beatriz and Fernandez, Vincent and Veenstra, Rick and Dukstiene, Nijole and Roberts, Adam and Fairley, Neal.}
}
@article {67,
	title = {Methane Conversion to Syngas for Gas-to-Liquids (GTL): Is Sustainable CO2 Reuse via Dry Methane Reforming (DMR) Cost Competitive with SMR and ATR Processes?.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {3},
	year = {2015},
	note = {CAPLUS AN 2015:1273933(Journal; Online Computer File)},
	pages = {2100 - 2111},
	publisher = {American Chemical Society},
	abstract = {Carbon dioxide is a greenhouse gas and is obtained as a waste via burning various forms of fuels.  Syngas is an intermediate in large-scale long-chain hydrocarbon (C10-C20 alkanes and alcs.) prodn. processes via Fischer-Tropsch (FT) synthesis, typically to obtain high quality fuels.  Thus, it is of particular interest to engineer syngas prodn. processes for FT that can consume various combustion process waste CO2 in the process and thus partially contribute to the sustainable carbon neutral fuel synthesis.  In this work, a quant. economic comparison of five alternative processes is presented for the prodn. of synthesis gas with a hydrogen-to-carbon monoxide ratio of 2, which is suitable for feeding to the Fischer-Tropsch gas-to-liq. process.  Combinations of steam methane reforming (SMR), dry methane reforming (DMR), autothermal reforming (ATR) and reverse water gas shift (RWGS) are explored.  An amine absorber/stripper system is used for carbon dioxide removal.  The effects of the cost of natural gas and of liq. oxygen and the magnitude of a potential carbon tax are demonstrated.  With current prices of raw materials, the configuration with the lowest total annual cost (TAC) features a system composed of both SMR and DMR reactors. [on SciFinder(R)]},
	keywords = {autothermal steam dry reforming competitive, methane conversion syngas liq sustainable carbon dioxide reuse},
	isbn = {2168-0485},
	author = {Baltrusaitis, Jonas and Luyben, William L.}
}
@article {68,
	title = {Modification of polyamide-CdS-CdSe composite material films with Ag using cation-cation exchange reaction.},
	journal = {Applied Surface Science},
	volume = {351},
	year = {2015},
	note = {CAPLUS AN 2015:910421(Journal; Online Computer File)},
	pages = {203 - 208},
	publisher = {Elsevier B.V.},
	abstract = {Thin mixed CdSe-CdS-Ag2Se-Ag2S films were deposited on a polyamide 6 (PA) surface by successfully using a cation-exchange reaction between Cd2+ and Ag+ to convert CdSe-CdS into Ag2Se-Ag2S.  These were deposited using a K2SeS2O6 precursor soln. at 60 {\textdegree}C followed by cadmium acetate (Cd(CH3COO)2).  An aq. AgNO3 soln. was used as the Ag source.  XRD patterns showed a complex PA-Cd-S-Se-Ag film cryst. compn. with CdS, CdSe, Ag2S and Ag2Se peaks.  Calcd. dislocation d. ranged within 5-15 {\texttimes} 1013 lines{\textperiodcentered}m-2 indicating high quality at. layers.  Atomic Absorption Spectroscopy (AAS) showed five- to ten-fold excess of chalcogens to metals in the thin films formed.  No chalcogenides were obsd. on the sample surface during XPS anal. after Ag exchange due to the desorption of CdS and CdSe layers, not diffused into the bulk of the polymer suggesting that silver chalcogenides were located subsurface, as opposed to the outermost layer, likely comprised of Ag2O. [on SciFinder(R)]},
	keywords = {exchange reaction, modification polyamide CdS CdSe composite material film Ag cation},
	isbn = {0169-4332},
	author = {Krylova, V. and Zalenkiene, S. and Dukstiene, N. and Baltrusaitis, J.}
}
@article {69,
	title = {Pd-Ti-MCM-48 cubic mesoporous materials for solar simulated hydrogen evolution.},
	journal = {International Journal of Hydrogen Energy},
	volume = {40},
	year = {2015},
	note = {CAPLUS AN 2014:2091523(Journal; Online Computer File)},
	pages = {905 - 918},
	publisher = {Elsevier Ltd.},
	abstract = {A facile synthetic method (in >=4 h) for simultaneously loading high amts. of TiO2 (Si/Ti = 3) and Pd0 co-catalyst (0.1\% per g of total catalyst) in cubic mesoporous MCM-48 material was developed at room temp.  The solar simulated photocatalytic H evolution from photocatalysts contg. Pd0 and TiO2 nanoclusters in periodic cubic MCM-48 and aperiodic mesoporous SiO2 was compared.  The periodicity of the mesoporous SiO2 support, the oxidn. state of Pd, the location and dispersion of Pd0 have a significant impact on the photocatalytic activity.  Periodic cubic MCM-48 mesoporous SiO2 contg. Pd0 in close contact with TiO2 exhibit superior H evolution rates compared to Pd0-TiO2 contg. aperiodic mesoporous SiO2.  The highly ordered and open 3-dimensional mesoporous cubic MCM-48 support has high surface area and facilitate good dispersion and close contact of TiO2 and Pd0.  At very low loadings of 0.1\% of Pd, H yield is 560 μ mol h-1, which is among the highest reported in the literature for Pd0 contg. TiO2 based materials under solar simulated conditions.  Probably the pore architecture of the support is also an important parameter that governs the photocatalytic activity.  The Pd0-mesoporous materials in general possess higher activity than Pd2+ contg. mesoporous materials.  The photocatalysts were extensively characterized by a variety of techniques such as powder XRD, N sorption anal., transmission and scanning electron microscopic studies, photoluminescence, diffuse reflectance spectroscopy (DRS), CO Chemisorption, and XPS. [on SciFinder(R)]},
	keywords = {zeolite MCM supported palladium titania photocatalysis hydrogen evolution},
	isbn = {0360-3199},
	author = {Peng, Rui and Baltrusaitis, Jonas and Wu, Chia-Ming and Koodali, Ranjit T.}
}
@article {70,
	title = {Phase Composition of Aqueous Urea-Ammonium Nitrate (UAN)-Zinc Nitrate Solutions for Sustainable Reuse of Zinc Containing Industrial Pigment Waste.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {3},
	year = {2015},
	note = {CAPLUS AN 2015:494326(Journal; Online Computer File)},
	pages = {950 - 958},
	publisher = {American Chemical Society},
	abstract = {Sustainable metal recovery from waste is of utmost importance.  Zn is a micronutrient that is abundant in many industrial wastes.  In this work, the process of converting industrial white pigment waste into a Zn micronutrient contg. nitrogen fertilizers was developed utilizing an HNO3 extn. method.  For this purpose, soly. diagrams, polytherms, were constructed of the ternary CO(NH2)2-Zn(NO3)2-H2O and NH4NO3-Zn(NO3)2-H2O systems to det. the corresponding phase equil. and solid material chem. compn.  Complex salts contg. Zn and two and four urea mols. were obsd. and the catalytic Zn(NO3)2 effect was obsd. at the decompn. temp. of CO(NH2)2 during thermal anal.  Two cryst. phases of NH4NO3, namely III and IV, were obsd. and the corresponding transition temp. decreased with increasing Zn(NO3)2 concn. in soln.  Zn extn. in the form of sol. Zn(NO3)2 was performed from the white pigment industrial waste and optimal extn. parameters including HNO3 concn., stoichiometric amt. and temp. were detd.  These included a 60 {\textdegree}C soln. temp., 55\% HNO3 concn. and 140\% of stoichiometric HNO3 amt.  This agreed well with the reactive conditions currently used in nitrophosphate fertilizer prodn. potentially enabling direct prodn. of micronutrient contg. NP fertilizers without significant technol. modification.  Sensible compns. of UAN-28 and UAN-30 liq. fertilizers contg. Zn micronutrient from industrial grade compds. and pigment waste extd. Zn(NO3)2 were obtained and their physicochem. properties were measured. [on SciFinder(R)]},
	keywords = {zinc nitrate ammonium urea waste},
	isbn = {2168-0485},
	author = {Baltrusaitis, J. and Sviklas, A. M.}
}
@article {71,
	title = {Photocatalytic decomposition of cortisone acetate in aqueous solution.},
	journal = {Journal of Hazardous Materials},
	volume = {282},
	year = {2015},
	note = {CAPLUS AN 2014:1019189(Journal; Online Computer File)},
	pages = {208 - 215},
	publisher = {Elsevier B.V.},
	abstract = {The photocatalytic decompn. of cortisone 21-acetate (CA), a model compd. for the commonly used steroid, cortisone, was studied.  CA was photocatalytically decompd. in a slurry reactor with the initial rates 0.11-0.46 mg/L-min at 10 mg/L concn., using the following heterogeneous photocatalysts in decreasing order of their catalytic activity: ZnO > Evonik TiO2 P25 > Hombikat TiO2 > WO3.  Due to the lack of ZnO stability in aq. solns., TiO2 P25 was chosen for further expts.  The decompn. reaction was found to be pseudo-1st order and the rate const. decreased as a function of increasing initial CA concn.  Changing the initial pH of the CA soln. did not affect the reaction rate significantly.  The decompn. reaction in the presence of the oxidizing sacrificial agent Na persulfate showed an obsd. decompn. rate const. of 0.004/min, lower than that obtained for TiO2 P25 (0.040/min).  The highest photocatalytic degrdn. rate const. was obtained combining both TiO2 P25 and S2O82- (0.071/min) showing a synergistic effect.  No reactive intermediates were detected using LC-MS showing fast photocatalytic decompn. kinetics of CA. [on SciFinder(R)]},
	keywords = {photocatalysis decompn cortisone acetate wastewater},
	isbn = {0304-3894},
	author = {Romao, Joana Sobral and Hamdy, Mohamed S. and Mul, Guido and Baltrusaitis, Jonas.}
}
@article {72,
	title = {Solar simulated hydrogen evolution using cobalt oxide nanoclusters deposited on titanium dioxide mesoporous materials prepared by evaporation induced self-assembly process.},
	journal = {International Journal of Hydrogen Energy},
	volume = {40},
	year = {2015},
	note = {CAPLUS AN 2015:1176980(Journal; Online Computer File)},
	pages = {10795 - 10806},
	publisher = {Elsevier Ltd.},
	abstract = {Cobalt-contg. TiO2 mesoporous materials were prepd. by Evapn.-Induced Self-Assembly (EISA) process.  The resulting mesoporous materials were characterized using powder X-ray diffraction (XRD), nitrogen physisorption, Raman spectroscopy, diffuse reflectance spectroscopy (DRS), transmission electron microscopy (TEM), XPS, and photoluminescence spectroscopy (PL).  The photocatalytic activities of the mesoporous materials were investigated for hydrogen prodn. under solar simulated conditions.  The non-modified TiO2 sample produced only 4 μmole H2/g catalyst after 4 h of irradn.  In contrast, the Co contg. mesoporous materials produced significantly higher amts. of hydrogen under identical conditions.  The highest solar hydrogen evolution (634 μmole H2/g catalyst after 4 h of irradn.) was from the Co-TiO2-0.5 material.  The physico-chem. characterization results indicate that the Co2+ ions are dispersed as oxide species on the surface of the mesoporous titania.  These cobalt surface species act as trap sites preventing recombination of the charge carriers as shown by PL measurements.  The addn. of Co2+ ions to the synthesis mixt. prevents the formation of anatase-to-rutile which favorably permits more solar hydrogen prodn. [on SciFinder(R)]},
	keywords = {solar radiation hydrogen prodn cobalt oxide nanocluster titania selfassembly},
	isbn = {0360-3199},
	author = {Mahoney, Luther and Peng, Rui and Wu, Chia-Ming and Baltrusaitis, Jonas and Koodali, Ranjit T.}
}
@article {73,
	title = {Structural, chemical and optical properties of the polyethylene-copper sulfide composite thin films synthesized using polythionic acid as sulfur source.},
	journal = {Applied Surface Science},
	volume = {347},
	year = {2015},
	note = {CAPLUS AN 2015:735335(Journal; Online Computer File)},
	pages = {520 - 527},
	publisher = {Elsevier B.V.},
	abstract = {Synthesis and properties of thin copper sulfide films deposited on polyethylene were explored for the development of low cost hybrid org.-inorg. photovoltaic materials.  Polyethylene was used as a model org. host material for thin copper sulfide film formation.  Adsorption-diffusion method was used which utilized consecutive exposure of polyethylene to polythionic acid followed by aq. Cu(II/I) soln.  Several cryst. copper sulfide phases were obtained in synthesized samples and elucidated using X-ray diffraction.  Surface chem. compn. detd. using XPS showed the presence of copper sulfides in combination with copper hydroxide.  Thickness of the composite material films ranged from several microns to \~{}18 μm and depended on the Cu(II/I) exposure time.  Band gap of the materials obtained was measured and ranged from 1.88 to 1.17 eV.  Importantly, heating these complex copper sulfide cryst. phase contg. films at 100 {\textdegree}C in inert atm. invariably resulted in a single copper sulfide, anilite (Cu1.75S), phase.  Anilite possesses a bandgap of 1.36 eV and has demonstrated excellent photovoltaic properties.  Thus, the method described in this work can be used for a low cost large scale composite thin film photovoltaic material deposition based on anilite as photoactive material. [on SciFinder(R)]},
	keywords = {photovoltaic property copper sulfide thin film, polyethylene copper sulfide thin film optical property},
	isbn = {0169-4332},
	author = {Ancutiene, Ingrida and Navea, Juan G. and Baltrusaitis, Jonas.}
}
@article {74,
	title = {Structure, morphology and electrochemical properties of zinc-cobalt oxide films on AISI 304 type steel.},
	journal = {Journal of Applied Electrochemistry},
	volume = {45},
	year = {2015},
	note = {CAPLUS AN 2015:274124(Journal; Online Computer File)},
	pages = {405 - 417},
	publisher = {Springer},
	abstract = {Zn-Co oxide films were prepd. by electrochem. deposition under potentiostatic conditions.  The effects of synthesis conditions on structure, morphol., compn. and electrochem. properties of deposited films were studied by at. absorption spectroscopy, Fourier transform IR, XPS, X-ray diffraction, SEM and photovoltammetry anal.  It has been detd. that the as-deposited films are lamellar with intercalated acetate ions, consisting of ZnO and α-Co(OH)2 phases.  The annealed films retain the same structure without impurities and consist of wurtzite-type ZnO and spinel-type Co3O4.  The photoelectrochem. performance and the specific capacitance of the prepd. electrodes were evaluated in 0.1 mol {\texttimes} L-1 NaOH aq. solns.  The obtained exptl. results showed that the values of specific capacitance increase with the increase in the amt. of cobalt (hydr)oxide.  On the contrary, the photoactivity decreases with the increase in cobalt content in the films. [on SciFinder(R)]},
	keywords = {zinc cobalt oxide film steel structure morphol electrochem property},
	isbn = {0021-891X},
	author = {Sulciute, Agne and Baltrusaitis, Jonas and Valatka, Eugenijus.}
}
@article {75,
	title = {Urea-Ammonium Nitrate Aqueous Solutions Containing Cu Micronutrient Obtained from Cable Manufacturing Solid Waste.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {3},
	year = {2015},
	note = {CAPLUS AN 2015:814157(Journal; Online Computer File)},
	pages = {1544 - 1550},
	publisher = {American Chemical Society},
	abstract = {Sustainable metal recovery from waste and conversion into Cu-micronutrient-contg. N fertilizers was developed using the HNO3 extn. method.  For this purpose, soly. diagrams, i.e., polytherms, were constructed of the ternary CO(NH2)2-Cu(NO3)2-H2O and NH4NO3-Cu(NO3)2-H2O systems to det. the corresponding phase equil. and solid material chem. compn.  Cu extn. in the form of water-sol. Cu(NO3)2 was performed from the industrial Cu cable manufg. waste, using HNO3 concns. relevant to the industrial conditions (56-58\%) at a moderate temp. of 60{\textdegree}.  Waste dissoln. in aq. NH4NO3 solns. resulted in only partial dissoln. of <60\% after 30 min.  Processes of Cu and Zn micronutrient extn. from solid waste and integration into the existing NH4NO3 and nitrophosphate (NP and NPK) prodn. technologies is proposed via an addnl. HNO3 dissoln. step, combined with the solid unreacted residue removal. [on SciFinder(R)]},
	keywords = {urea ammonium nitrate copper micronutrient cable manufg solid waste},
	isbn = {2168-0485},
	author = {Baltrusaitis, J. and Sviklas, A. M.}
}
@article {76,
	title = {Absolute Organic Crystal Thermodynamics: Growth of the Asymmetric Unit into a Crystal via Alchemy.},
	journal = {Journal of Chemical Theory and Computation},
	volume = {10},
	year = {2014},
	note = {CAPLUS AN 2014:831069(Journal; Online Computer File)},
	pages = {2781 - 2791},
	publisher = {American Chemical Society},
	abstract = {The soly. of org. mols. is of crit. importance to the pharmaceutical industry; however, robust computational methods to predict this quantity from first-principles are lacking.  Soly. can be computed from a thermodn. cycle that decomps. std. state soly. into the sum of solid-vapor sublimation and vapor-liq. solvation free energies ΔG{\textdegree}solubility = ΔG{\textdegree}sub + ΔG{\textdegree}solv.  Over the past few decades, alchem. simulation methods to compute solvation free energy using classical force fields have become widely used.  However, analogous methods for detg. the free energy of the sublimation/deposition phase transition are currently limited by the necessity of a priori knowledge of the at. coordinates of the crystal.  The authors describe progress toward an alternative scheme based on growth of the asym. unit into a crystal via alchemy (GAUCHE).  GAUCHE computes deposition free energy ΔG{\textdegree}dep = -ΔG{\textdegree}sub = -kBT ln(Vc/Vg) + ΔGAU + ΔGAU{\textrightarrow}UC as the sum of an entropic term to account for compressing a vapor at 1 M std. state (Vg) into the molar volume of the crystal (Vc), where kB is Boltzmann{\textquoteright}s const. and T is temp. in K, plus two simulation steps.  In the first simulation step, the deposition free energy ΔGAU for a system composed of only NAU asym. unit (AU) mol.(s) is computed beginning from an arbitrary conformation in vacuum.  In the second simulation step, the change in free energy ΔGAU{\textrightarrow}UC to expand the asym. unit degrees of freedom into a unit cell (UC) composed of NUC independent mols. is computed.  This latter step accounts for the favorable free energy of removing the constraint that every symmetry mate of the asym. unit has an identical conformation and intermol. interactions.  The current work is based on NVT simulations, which requires knowledge of the crystal space group and unit cell parameters from expt., but not a priori knowledge of cryst. at. coordinates.  GAUCHE was applied to 5 org. mols. whose sublimation free energy has been measured exptl., based on the polarizable AMOEBA force field and more than a microsecond of sampling per compd. in the program Force Field X.  The mean unsigned and RMS errors were only 1.6 and 1.7 kcal/mol, resp., which indicates that GAUCHE is capable of accurate prediction of abs. sublimation thermodn. [on SciFinder(R)]},
	keywords = {abs org crystal thermodn growth asym unit crystal alchemy, simulation free energy soly thermodn cycle sublimation solvation},
	isbn = {1549-9618},
	author = {Park, Jooyeon and Nessler, Ian and McClain, Brian and Macikenas, Dainius and Baltrusaitis, Jonas and Schnieders, Michael J.}
}
@article {77,
	title = {Ag2S deposited on oxidized polypropylene as composite material for solar light absorption.},
	journal = {Applied Surface Science},
	volume = {301},
	year = {2014},
	note = {CAPLUS AN 2014:372582(Journal; Online Computer File)},
	pages = {134 - 141},
	publisher = {Elsevier B.V.},
	abstract = {Thin film metal chalcogenides are superior solar light absorbers and can be combined into a functional material when deposited on polymeric substrates.  Ag2S composite materials were synthesized on oxidized polypropylene using chem. bath deposition method and their properties were explored using XRD, XPS, AFM and UV-Vis.  Polypropylene surfaces were modified using soln. methods to introduce hydrophilicity via carboxylic group formation which resulted in Ag2S film deposition and adhesion.  These films showed slightly sulfur enriched compn. from XPS anal. with the sulfate-like species forming, presumably at the oxidized polymer surface sites.  Ag2S particle growth mechanism included nucleation and rather large (few μm) aggregate formation eventually covering the complete polymer surface, as inferred from AFM anal.  Absorption edge of the composite material shifted toward the higher wavelength in UV-Vis spectrum with the no. of Ag2S exposure times showing a decreasing bandgap and the possibility of obtaining tunable optical property Ag2S-polymer composites using CBD methods. [on SciFinder(R)]},
	keywords = {silver sulfide oxidized polypropylene chem bath deposition light absorption},
	isbn = {0169-4332},
	author = {Krylova, Valentina and Milbrat, Alexander and Embrechts, Anika and Baltrusaitis, Jonas.}
}
@article {78,
	title = {Characterization of Plasma Polymerized Hexamethyldisiloxane Films Prepared by Arc Discharge.},
	journal = {Plasma Chemistry and Plasma Processing},
	volume = {34},
	year = {2014},
	note = {CAPLUS AN 2013:2010942(Journal; Online Computer File)},
	pages = {271 - 285},
	publisher = {Springer},
	abstract = {Herein, we present a simple method for fabricating plasma polymd. hexamethyldisiloxane films (pp-HMDSO) possessing superhydrophobic characteristics via arc discharge.  The pp-HMDSO films were deposited on a soda-lime-silica float glass using HMDSO monomer vapor as a precursor.  A detailed surface characterization was performed using SEM and at. force microscopy.  The growth process of the pp-HMDSO films was investigated as a function of deposition time from 30 to 300 s.  The non-wetting characteristics of the pp-HMDSO films were evaluated by means of contact angle (CA) measurements and correlated with the morphol. characteristics, as obtained from microscopy measurements.  The deposited films were found to be nano-structured and exhibited dual-scale roughness with the static CA values close to 170{\textdegree}.  Fourier transform IR spectroscopy anal. was carried out to investigate chem. and functional properties of these films.  Me groups were identified spectroscopically to be present within the pp-HMDSO films and were proposed to result in the low surface energy of material.  The synergy between the dual-scale roughness and low surface energy resulted in the superhydrophobic characteristics of the pp-HMDSO films.  A possible mechanism for the pp-HMDSO film formation is proposed. [on SciFinder(R)]},
	keywords = {plasma polymd hexamethyldisiloxane film arc discharge},
	isbn = {0272-4324},
	author = {Lazauskas, Algirdas and Baltrusaitis, Jonas and Grigaliunas, Viktoras and Jucius, Dalius and Guobiene, Asta and Prosycevas, Igoris and Narmontas, Pranas.}
}
@article {79,
	title = {Competitive role of structural properties of titania-silica mixed oxides and a mechanistic study of the photocatalytic degradation of phenol.},
	journal = {Applied Catalysis, B: Environmental},
	volume = {148-149},
	year = {2014},
	note = {CAPLUS AN 2014:264808(Journal; Online Computer File)},
	pages = {394 - 405},
	publisher = {Elsevier B.V.},
	abstract = {TiO2-SiO2 mixed oxide materials were hydrothermally synthesized and the photocatalytic degrdn. of phenol under UV-irradn. was evaluated.  We also demonstrated that varying the co-solvent, modulates the structural properties of the materials.  In particular, the use of non-polar co-solvents such as toluene seemed to increase the crystallinity, surface area, and pore diam. while the crystallite size of titania seemed to change little.  A comprehensive characterization using surface and bulk techniques evidenced the role of porosities, crystallinity, and Ti-O-Si linkages of the mixed oxides as significant factors that contribute to the degrdn. of phenol.  The TiO2-SiO2 mixed oxide material prepd. using only ethanol as the solvent showed 24\% degrdn. of phenol after 120 min of irradn. whereas other mixed oxide materials degraded phenol more efficiently (57\% to 100\%) in the same duration of time.  The higher photocatalytic activities of the mixed oxide materials prepd. using non-polar solvents is attributed to a combination of factors that include higher Apparent Surface Coverages of Ti-O-Si heterolinkages, larger pore sizes, and most importantly higher crystallinities of the titania phase.  Larger pore sizes enabled better transport of reactant mols. and products to and from the active sites (Ti-O-Si heterolinkages) and the higher crystallinities of the titania phase helped in minimizing the electron-hole recombination in these photocatalysts, and thus resulted in high degrdn. efficiencies. [on SciFinder(R)]},
	keywords = {structure titania silica mixed oxide photocatalysis photocatalyst phenol},
	isbn = {0926-3373},
	author = {Rasalingam, Shivatharsiny and Kibombo, Harrison S. and Wu, Chia-Ming and Peng, Rui and Baltrusaitis, Jonas and Koodali, Ranjit T.}
}
@article {80,
	title = {Design and characterization of electrospun polyamide nanofiber media for air filtration applications.},
	journal = {Journal of Nanomaterials},
	year = {2014},
	note = {CAPLUS AN 2014:1697145(Journal; Online Computer File)},
	pages = {859656/1 - 859656/14},
	publisher = {Hindawi Publishing Corp.},
	abstract = {Electrospun polyamide 6 (PA 6) and polyamide 6/6 (PA 6/6) nanofibers were produced in order to investigate their exptl. characteristics with the goal of obtaining filtration relevant fiber media.  The exptl. design model of each PA nanofibers contained the following variables: polymer concn., ratio of solvents, nanofiber media collection time, tip-to-collector distance, and the deposition voltage.  The av. diam. of the fibers, their morphol., basis wt., thickness, and resulting media solidity were investigated.  Effects of each variable on the essential characteristics of PA 6/6 and PA 6 nanofiber media were studied.  The comparative anal. of the obtained PA 6/6 and PA 6 nanofiber characteristics revealed that PA 6/6 had higher potential to be used in filtration applications.  Based on the exptl. results, the graphical representation-response surfaces-for obtaining nanofiber media with the desirable fiber diam. and basis wt. characteristics were derived.  Based on the modeling results the nanofiber filter media (mats) were fabricated.  Filtration results revealed that nanofiber filter media electrospun from PA6/6 8\% (w/vol) solns. with the smallest fiber diams. (62-66 nm) had the highest filtration efficiency (PA6/6_30 = 84.9-90.9\%) and the highest quality factor (PA6/6_10 = 0.0486-0.0749 Pa-1). [on SciFinder(R)]},
	keywords = {electrospun polyamide nanofiber medium air filtration design characterization},
	isbn = {1687-4129},
	author = {Matulevicius, Jonas and Kliucininkas, Linas and Martuzevicius, Dainius and Krugly, Edvinas and Tichonovas, Martynas and Baltrusaitis, Jonas.}
}
@article {81,
	title = {Effects of bismuth addition and photodeposition of platinum on (surface) composition, morphology and visible light photocatalytic activity of sol-gel derived TiO2.},
	journal = {Applied Catalysis, B: Environmental},
	volume = {154-155},
	year = {2014},
	note = {CAPLUS AN 2014:517386(Journal; Online Computer File)},
	pages = {153 - 160},
	publisher = {Elsevier B.V.},
	abstract = {Several remarkable observations regarding structure, (surface) compn. and visible light induced photocatalytic activity of Bi-promoted anatase photocatalysts are reported.  First, XPS characterization data show that compns. of mixed Bi-Ti-oxide phases obtained by hydrothermal treatment at 180{\textdegree} C of aq. solns. of ethanol, titanium n-butoxide, and bismuth nitrate, are surface enriched with a specific fraction of metallic-like bismuth.  Second, the formation of highly dispersed nanoparticles of platinum on these composites by photodeposition is accompanied by significant morphol. changes.  Third, the platinum functionalized, bismuth-promoted Anatase composites exhibit extraordinary photocatalytic activity in the photocatalytic degrdn. of org. compds. (Acid orange 7 and salicylic acid, resp.) upon illumination at 447 nm, higher than obsd. for P25 upon UV illumination in similar reactor configuration.  An optimized Pt-Bi-Ti-O composite consists of 1 wt\% Pt and 5 wt\% Bi.  The high activity of the composite is discussed on the basis of the cryst. morphol. and surface compn. [on SciFinder(R)]},
	keywords = {bismuth contg titania platinum nanoparticle visible light photocatalyst},
	isbn = {0926-3373},
	author = {Yi, Wentao and Yan, Chunyan and Hamdy, Mohamed S. and Baltrusaitis, Jonas and Mul, Guido.}
}
@article {82,
	title = {Electrochemical CO2 reduction on Cu2O-derived copper nanoparticles: controlling the catalytic selectivity of hydrocarbons.},
	journal = {Physical Chemistry Chemical Physics},
	volume = {16},
	year = {2014},
	note = {CAPLUS AN 2014:886640(Journal; Online Computer File)},
	pages = {12194 - 12201},
	publisher = {Royal Society of Chemistry},
	abstract = {The catalytic activity and hydrocarbon selectivity in electrochem. carbon dioxide (CO2) redn. on cuprous oxide (Cu2O) derived copper nanoparticles is discussed.  Cuprous oxide films with [100], [110] and [111] orientation and variable thickness were electrodeposited by redn. of copper(II) lactate on com. available copper plates.  After initiation of the electrochem. CO2 redn. by these oxide structures, the selectivity of the process largely depends on the parent Cu2O film thickness, rather than on the initial crystal orientation.  Starting with thin Cu2O films, besides CO and hydrogen, selective formation of ethylene is obsd. with very high ethylene-to-methane ratios (\~{}8 to 12).  In addn. to these products, thicker Cu2O films yield a remarkably large amt. of ethane.  Long term faradaic efficiency anal. of hydrocarbons shows no sign of deactivation of the electrodes after 5 h of continuous expt.  Online mass spectroscopy studies combined with x-ray diffraction data suggest the redn. of the Cu2O films in the presence of CO2, generating a nanoparticulate Cu morphol., prior to the prodn. of hydrogen, CO, and hydrocarbons.  Optimizing coverage, no. d. and size of the copper nanoparticles, as well as local surface pH, may allow highly selective formation of the industrially important product ethylene. [on SciFinder(R)]},
	keywords = {electrochem carbon dioxide redn cuprous oxide copper nanoparticle catalysis},
	isbn = {1463-9076},
	author = {Kas, Recep and Kortlever, Ruud and Milbrat, Alexander and Koper, Marc T. M. and Mul, Guido and Baltrusaitis, Jonas.}
}
@article {83,
	title = {Heterogeneous Reactivity of Nitric Acid with Nascent Sea Spray Aerosol: Large Differences Observed between and within Individual Particles.},
	journal = {Journal of Physical Chemistry Letters},
	volume = {5},
	year = {2014},
	note = {CAPLUS AN 2014:1085495(Journal; Online Computer File)},
	pages = {2493 - 2500},
	publisher = {American Chemical Society},
	abstract = {Current climate and atm. chem. models assume that all sea spray particles react as if they are pure NaCl.  However, recent studies of sea spray aerosol particles have shown that distinct particle types exist (including sea salt, org. C, and biol. particles) as well as mixts. of these and, within each particle type, there is a range of single-particle chem. compns.  Because of these differences, individual particles should display a range of reactivities with trace atm. gases.  We studied the compn. of individual sea spray aerosol particles after heterogeneous reaction with nitric acid.  As expected, a replacement reaction of chloride with nitrate is obsd.; however, there is a large range of reactivities spanning from no reaction to complete reaction between and within individual sea spray aerosol particles.  These data clearly support the need for lab. studies of individual, environmentally relevant particles to improve our fundamental understanding as to the properties that det. reactivity. [on SciFinder(R)]},
	keywords = {heterogeneous reactivity nitrate nascent sea spray aerosol},
	isbn = {1948-7185},
	author = {Ault, Andrew P. and Guasco, Timothy L. and Baltrusaitis, Jonas and Ryder, Olivia S. and Trueblood, Jonathan V. and Collins, Douglas B. and Ruppel, Matthew J. and Cuadra-Rodriguez, Luis A. and Prather, Kimberly A. and Grassian, Vicki H.}
}
@article {84,
	title = {High Throughput Analysis of Photocatalytic Water Purification.},
	journal = {Analytical Chemistry (Washington, DC, United States)},
	volume = {86},
	year = {2014},
	note = {CAPLUS AN 2014:1085617(Journal; Online Computer File)},
	pages = {7612 - 7617},
	publisher = {American Chemical Society},
	abstract = {We present a novel high throughput photocatalyst efficiency assessment method based on 96-well microplates and UV-vis spectroscopy.  We demonstrate the reproducibility of the method using methyl orange (MO) decompn. and compare kinetic data obtained with those provided in the literature for larger conventional photoreactors.  To demonstrate the capabilities of the method, we rapidly screened the effects of salts, potentially present in wastewater, on kinetic rates of MO decompn. and discuss the obtained data on the basis of existing literature. [on SciFinder(R)]},
	keywords = {photocatalysis wastewater kinetic decolorization},
	isbn = {0003-2700},
	author = {Romao, Joana and Barata, David and Habibovic, Pamela and Mul, Guido and Baltrusaitis, Jonas.}
}
@article {85,
	title = {Insight into band positions and inter-particle electron transfer dynamics between CdS nanoclusters and spatially isolated TiO2 dispersed in cubic MCM-48 mesoporous materials: a highly efficient system for photocatalytic hydrogen evolution under visible li},
	journal = {Physical Chemistry Chemical Physics},
	volume = {16},
	year = {2014},
	note = {CAPLUS AN 2014:16774(Journal; Online Computer File)},
	pages = {2048 - 2061},
	publisher = {Royal Society of Chemistry},
	abstract = {CdS incorporated Si-MCM-48 and Ti-MCM-48 cubic phased mesoporous photocatalysts were prepd. by a two-step modification synthetic approach under relatively mild conditions.  A highly efficient (24.8\%, apparent quantum yield (AQY)) photocatalyst for visible light (λ > 400 nm) enabled solar hydrogen evolution can be realized by assembling CdS with Ti-MCM-48 cubic mesoporous materials in the absence of a noble metal co-catalyst.  The photocatalytic mechanism was thoroughly investigated and demonstrated by conducting a wealth of characterization techniques such as powder X-ray diffraction (XRD), nitrogen adsorption isotherm, transmission electron microscopy (TEM), UV-visible diffuse reflectance spectroscopy (DRS), XPS, UPS (UVPS), at. absorption spectroscopy (AAS), photoluminescence (PL) spectroscopy, time-resolved fluorescence emission decay, and ESR (EPR) spectroscopy studies.  This work is the first to unambiguously identify the band positions of both CdS and TiO2 encapsulated in porous materials.  The photocatalytic activity of the CdS incorporated Ti-MCM-48 mesoporous photocatalysts was found to be dependent on the content of both CdS and TiO2.  A correlation between the electron injection efficiency and the photocatalytic activity was established as well in the CdS incorporated Ti-MCM-48 mesoporous photocatalysts. [on SciFinder(R)]},
	keywords = {band position electron transfer cadmium sulfide titania MCM48, photocatalysis hydrogen evolution visible light},
	isbn = {1463-9076},
	author = {Peng, Rui and Lin, Cuikun and Baltrusaitis, Jonas and Wu, Chia-Ming and Dimitrijevic, Nada M. and Rajh, Tijana and May, Stanley and Koodali, Ranjit T.}
}
@article {86,
	title = {Iron oxide nanoparticles induce Pseudomonas aeruginosa growth, induce biofilm formation, and inhibit antimicrobial peptide function.},
	journal = {Environmental Science: Nano},
	volume = {1},
	year = {2014},
	note = {CAPLUS AN 2014:465811(Journal; Online Computer File)},
	pages = {123 - 132},
	publisher = {Royal Society of Chemistry},
	abstract = {Given the increased use of iron-contg. nanoparticles in a no. of applications, it is important to understand any effects that iron-contg. nanoparticles can have on the environment and human health.  Since iron concns. are extremely low in body fluids, there is potential that iron-contg. nanoparticles may influence the ability of bacteria to scavenge iron for growth, affect virulence and inhibit antimicrobial peptide (AMP) function.  In this study, Pseudomonas aeruginosa (PA01) and AMPs were exposed to iron oxide nanoparticles, hematite (α-Fe2O3), of different sizes ranging from 2 to 540 nm (2 {\textpm} 1, 43 {\textpm} 6, 85 {\textpm} 25 and 540 {\textpm} 90 nm) in diam.  Here we show that the greatest effect on bacterial growth, biofilm formation, and AMP function impairment is found when exposed to the smallest particles.  These results are attributed in large part to enhanced dissoln. obsd. for the smallest particles and an increase in the amt. of bioavailable iron.  Furthermore, AMP function can be addnl. impaired by adsorption onto nanoparticle surfaces.  In particular, lysozyme readily adsorbs onto the nanoparticle surface which can lead to loss of peptide activity.  Thus, this current study shows that co-exposure of nanoparticles and known pathogens can impact host innate immunity.  Therefore, it is important that future studies be designed to further understand these types of impacts. [on SciFinder(R)]},
	keywords = {Pseudomonas iron oxide nanoparticle biofilm antimicrobial peptide},
	isbn = {2051-8161},
	author = {Borcherding, Jennifer and Baltrusaitis, Jonas and Chen, Haihan and Stebounova, Larissa and Wu, Chia-Ming and Rubasinghege, Gayan and Mudunkotuwa, Imali A. and Caraballo, Juan Carlos and Zabner, Joseph and Grassian, Vicki H. and Comellas, Alejandro P.}
}
@article {87,
	title = {Liquid and Solid Compound Granulated Diurea Sulfate-Based Fertilizers for Sustainable Sulfur Source.},
	journal = {ACS Sustainable Chemistry \& Engineering},
	volume = {2},
	year = {2014},
	note = {CAPLUS AN 2014:1542625(Journal; Online Computer File)},
	pages = {2477 - 2487},
	publisher = {American Chemical Society},
	abstract = {Design and manuf. of high nitrogen content sulfur-contg. fertilizers is of crucial importance in sustainable food and energy crop prodn.  The availability of large elemental sulfur amts. in oil refining and natural gas processing facilities, in combination with decreasing sulfur deposition into soil from natural and anthropogenic sources in a bioavailable sulfate form, calls for innovative engineering solns. that bridge this gap via sustainable sulfur processing.  Diurea sulfate-based liq. and compd. solid granulated fertilizers were synthesized in this work, and their resulting physicochem. properties were detd.  First, phase compositional information on the 2CO(NH2)2{\textperiodcentered}H2SO4-CO(NH2)2-H2O ternary system was measured, and high nitrogen content, \~{}15:1 N:S ratio liq. fertilizer grades, were established.  Next, diurea sulfate granulation expts. using (i) dolomite, (ii) byproduct material after the phosphoric acid extractive prodn., CaSO4{\textperiodcentered}0.5H2O, and (iii) dolomite combined with diammonium phosphate, (NH4)2HPO4, and potassium chloride, KCl, were performed.  Using diurea sulfate, 16-16-16-5.5(S)-0.4(MgO)-0.6(CaO) compd. granulated fertilizers were successfully obtained, and time-resolved changes in their cryst. phase compn. during granule curing were monitored using XRD.  The granule crushing strength measured increased to 3.800 MPa within the 30 day storage thus resulting in high quality fertilizer material. [on SciFinder(R)]},
	keywords = {liq solid granule diurea sulfate fertilizer sulfur},
	isbn = {2168-0485},
	author = {Baltrusaitis, J. and Sviklas, A. M. and Galeckiene, J.}
}
@article {89,
	title = {Nanocrystals of Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in Single-Crystal-to-Single-Crystal Transformation.},
	journal = {Journal of the American Chemical Society},
	volume = {136},
	year = {2014},
	note = {CAPLUS AN 2014:670885(Journal; Online Computer File)},
	pages = {6778 - 6781},
	publisher = {American Chemical Society},
	abstract = {Ag(I) is used to form a π-stacked metal-org. solid that exhibits remarkably high elec. cond.  The solid undergoes a single-crystal-to-single-crystal [2+2] photodimerization to generate a 1D coordination polymer with over 40\% higher cond.  The Ag(I) complex represents the first example of an increase in cond. resulting from a [2+2] photodimerization.  D. of states calcns. show a higher contribution from Ag(I) ions to the valence band in the photodimerized solid, supporting the increase in cond. [on SciFinder(R)]},
	keywords = {nanocrystal Metal Org complex exhibit remarkably high cond increases},
	isbn = {0002-7863},
	author = {Hutchins, Kristin M. and Rupasinghe, Thilini P. and Ditzler, Lindsay R. and Swenson, Dale C. and Sander, John R. G. and Baltrusaitis, Jonas and Tivanski, Alexei V. and MacGillivray, Leonard R.}
}
@article {88,
	title = {N-Functionalized Carbon Nanotubes As a Source and Precursor of N-Nitrosodimethylamine: Implications for Environmental Fate, Transport, and Toxicity.},
	journal = {Environmental Science \& Technology},
	volume = {48},
	year = {2014},
	note = {CAPLUS AN 2014:1233176(Journal; Online Computer File)},
	pages = {9279 - 9287},
	publisher = {American Chemical Society},
	abstract = {Hazardous byproducts may be generated during the environmental processing of engineered nanomaterials.  Here, we explore the ability of carbon nanotubes with nitrogen-contg. surface groups (N-CNTs) to generate N-nitrosodimethylamine (NDMA) during chem. disinfection.  Unexpectedly, we obsd. that com. N-CNTs with amine, amide, or N-contg. polymer (PABS) surface groups are a source of NDMA.  As-received powders can leach up to 50 ng of NDMA per mg of N-CNT in aq. suspension; presumably NDMA originates as a residue from N-CNT manufg.  Furthermore, reaction of N-CNTs with free chlorine, monochloramine, and ozone generated byproduct NDMA at yields comparable to those reported for natural org. matter.  Chlorination also altered N-CNT surface chem., with XPS indicating addn. of Cl, loss of N, and an increase in surface O.  Although these changes can increase N-CNT suspension stability, they do not enhance their acute toxicity in E. coli bioassays above that obsd. for as-received powders.  Notably, however, dechlorination of reacted N-CNTs with sulfite completely suppresses N-CNT toxicity.  Collectively, our work demonstrates that N-CNTs are both a source and precursor of NDMA, a probable human carcinogen, while chem. disinfection can produce CNTs exhibiting surface chem. and environmental behavior distinct from that of native (i.e., as-received) materials. [on SciFinder(R)]},
	keywords = {nitrogen functionalized carbon nanotube arsenic source precursor nitrosodimethylamine toxicity},
	isbn = {0013-936X},
	author = {Verdugo, Edgard M. and Krause, Caitlin and Genskow, Kelly and Han, Ying and Baltrusaitis, Jonas and Mattes, Timothy E. and Valentine, Richard L. and Cwiertny, David M.}
}
@article {90,
	title = {Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.},
	journal = {Crystal Growth \& Design},
	volume = {14},
	year = {2014},
	note = {CAPLUS AN 2014:263112(Journal; Online Computer File)},
	pages = {893 - 896},
	publisher = {American Chemical Society},
	abstract = {Though 1,4-disubstituted 1,2,3-triazole rings have been utilized as electronic bridges in the soln. phase, the use of a triazole ring to serve as an electronic bridge of small mols. in the cryst. state has been underdeveloped.  Here two compds. with a central 1,4-disubstituted 1,2,3-triazole ring are synthesized to investigate the electronic bridging between terminal stilbazole and pyridine groups in the cryst. phase.  The electronic properties of the mols. are characterized through soln. phase UV-vis spectroscopy, single crystal X-ray diffractions, and d.-of-state and gas-phase DFT calcns.  We show that the electronic bridging behavior of a 1,4-disubstituted 1,2,3-triazole ring derived from a click reaction is maintained in the solid state by rare head-to-head (hh) packing in noncentrosym. crystal environments. [on SciFinder(R)]},
	keywords = {noncentrosym packing electronic property product click reaction D3LYP PXRD},
	isbn = {1528-7483},
	author = {Laird, Rebecca C. and Nguyen, Nam P. and Rusch, Sara F. and Baltrusaitis, Jonas and MacGillivray, Leonard R.}
}
@article {91,
	title = {Photocatalytic degradation of dye by Ag/ZnO prepared by reduction of Tollen{\textquoteright}s reagent and the ecotoxicity of degraded products.},
	journal = {Korean Journal of Chemical Engineering},
	volume = {31},
	year = {2014},
	note = {CAPLUS AN 2014:166320(Journal; Online Computer File)},
	pages = {587 - 592},
	publisher = {Springer},
	abstract = {A heterostructure of Ag/ZnO powder was prepd. by a redn. of Ag(NH3)2+ ions in a basic soln. or Tollen{\textquoteright}s reagent.  From this method, the existence of a metallic Ag coating on the ZnO surface was confirmed by transmission electron microscope and XPS.  The photocatalytic activity of the Ag/ZnO powders was investigated by analyzing the degrdn. of an aq. methylene blue soln. under a blacklight irradn.  Furthermore, the parameters, including Ag content, catalyst loading, initial dye concn. and pH, were also studied.  After the methylene blue soln. was irradiated for 30min under a blacklight illumination, total mineralization was not obsd. as the presence of some carbon compd. species was indicated in a mass spectrum.  Furthermore, the toxicity of the treated methylene blue soln. produced by the Ag/ZnO powders was also investigated by a test for the inhibition of the growth of Chlorella vulgaris. [on SciFinder(R)]},
	keywords = {silver zinc oxide redn reagent ecotoxicity product dye degrdn},
	isbn = {0256-1115},
	author = {Thongrom, Boonya and Amornpitoksuk, Pongsaton and Suwanboon, Sumetha and Baltrusaitis, Jonas.}
}
@article {92,
	title = {Photoelectrochemical Hydrogen Production on α-Fe2O3 (0001): Insights from Theory and Experiments.},
	journal = {ChemSusChem},
	volume = {7},
	year = {2014},
	note = {CAPLUS AN 2013:1615047(Journal; Online Computer File)},
	pages = {162 - 171},
	publisher = {Wiley-VCH Verlag GmbH \& Co. KGaA},
	abstract = {The photoelectrochem. (PEC) decompn. of org. compds. in wastewater is investigated by using quantum chem. (DFT) methods to evaluate alternatives to water splitting for the prodn. of renewable and sustainable hydrogen.  Methanol is used as a model org. species for the theor. evaluations of electrolysis on the surface of the widely available semiconductor hematite, α-Fe2O3, a widely studied photocatalyst.  Three different α-Fe2O3 surface terminations were investigated, including the predominant surface found in aq. electrolytes, (OH)3-R.  The PEC oxidn. of methanol is energetically downhill, producing CO2 and protons.  The protons are reduced to hydrogen on the cathode.  Exptl. PEC measurements were also performed for several polyalcoholic compds., glycerol, erythritol, and xylitol, on α-Fe2O3 as the photocatalyst and showed high incident-photon-to-current-efficiencies (IPCE) that were much greater than those of water splitting.  Interestingly, high IPCEs were obsd. for hydrogen prodn. from polyalcs. in the absence of any applied bias, which was not thought to be possible on hematite.  These results support the potential application of PEC for hydrogen prodn. by using widely available hematite for the PEC oxidn. of selected components of org. wastewater present in large quantities from anthropogenic and industrial sources. [on SciFinder(R)]},
	keywords = {photoelectrochem hydrogen prodn iron oxide surface theory expt},
	isbn = {1864-5631},
	author = {Baltrusaitis, Jonas and Hu, Yong-Sheng and McFarland, Eric W. and Hellman, Anders.}
}
@article {93,
	title = {Polyamide-thallium selenide composite materials via temperature and pH controlled adsorption-diffusion method.},
	journal = {Applied Surface Science},
	volume = {317},
	year = {2014},
	note = {CAPLUS AN 2014:1526236(Journal; Online Computer File)},
	pages = {818 - 827},
	publisher = {Elsevier B.V.},
	abstract = {Composite materials based on III-VI elements are promising in designing efficient photoelectronic devices, such as thin film org.-inorg. solar cells.  In this work, TlSe composite materials were synthesized on a model polymer polyamide using temp. and pH controlled adsorption-diffusion method via selenization followed by the exposure to the group III metal (Tl) salt soln. and their surface morphol., chem. and cryst. phase information was detd. with particular focus on their corresponding structure-optical property relationship.  XRD anal. yielded a complex cryst. phase distribution which correlated well with the optical and surface morphol. properties measured. pH 11.3 and 80{\textdegree} yielded well defined, low structural disorder composite material surface.  After annealing in N2 at 100{\textdegree}, polycryst. PA-TlxSey composite materials yielded a single TlSe phase due to the enhanced diffusion and reaction of thallium ions into the polymer.  The method described here can be used to synthesize variety of binary III-VI compds. diffused into the polymer at relatively low temps. and low overall cost, thus providing for a flexible synthesis route for novel composite solar energy harvesting materials. [on SciFinder(R)]},
	keywords = {org inorg solar cell polyamide thallium selenide composite, polyamide thallium selenide composite adsorption diffusion synthesis},
	isbn = {0169-4332},
	author = {Ivanauskas, Remigijus and Samardokas, Linas and Mikolajunas, Marius and Virzonis, Darius and Baltrusaitis, Jonas.}
}
@article {94,
	title = {Renewable energy based catalytic CH4 conversion to fuels.},
	journal = {Catalysis Science \& Technology},
	volume = {4},
	year = {2014},
	note = {CAPLUS AN 2014:1112282(Journal; General Review; Online Computer File)},
	pages = {2397 - 2411},
	publisher = {Royal Society of Chemistry},
	abstract = {A review. Natural gas is envisioned as a primary source of hydrocarbons in the foreseeable future.  With the abundance of shale gas, the main concerns have shifted from the limited hydrocarbon availability to the sustainable methods of CH4 conversion to fuels.  This is necessitated by high costs of natural gas transportation in its native gaseous form.  Conventional gas-to-liq. conversion technologies are capital and scale intensive and can hardly be envisioned in their current form to be cost efficient in the remote locations of the natural gas extn. sites.  Solar energy can be utilized at the gas extn. site to perform catalytic CH4 conversion using electrons obtained via photovoltaics or directly with photons.  We provide broader insight into the catalytic CH4 conversion methods that utilize renewable energy via photo(electro)catalytic processes, with particular focus on the catalytic materials used, reaction conditions and intermediates, as well as their selectivity.  Based on the currently available scientific literature, we propose several hybrid catalytic CH4 conversion processes based on both conventional and renewable - photo(electro)chem. - catalysis. [on SciFinder(R)]},
	keywords = {review renewable solar energy methane conversion fuel cell},
	isbn = {2044-4753},
	author = {Baltrusaitis, J. and Jansen, I. and Schuttlefield Christus, J. D.}
}
@article {95,
	title = {Surface Photochemistry of Adsorbed Nitrate: The Role of Adsorbed Water in the Formation of Reduced Nitrogen Species on α-Fe2O3 Particle Surfaces.},
	journal = {Journal of Physical Chemistry A},
	volume = {118},
	year = {2014},
	note = {CAPLUS AN 2013:1898077(Journal; Online Computer File)},
	pages = {158 - 166},
	publisher = {American Chemical Society},
	abstract = {The surface photochem. of nitrate, formed from nitric acid adsorption, on hematite (α-Fe2O3) particle surfaces under different environmental conditions is investigated using XPS.  Following exposure of α-Fe2O3 particle surfaces to gas-phase nitric acid, a peak in the N1s region is seen at 407.4 eV; this binding energy is indicative of adsorbed nitrate.  Upon broadband irradn. with light (λ > 300 nm), the nitrate peak decreases in intensity as a result of a decrease in adsorbed nitrate on the surface.  Concomitant with this decrease in the nitrate coverage, there is the appearance of two lower binding energy peaks in the N1s region at 401.7 and 400.3 eV, due to reduced nitrogen species.  The formation as well as the stability of these reduced nitrogen species, identified as NO- and N-, are further investigated as a function of water vapor pressure.  Addnl., irradn. of adsorbed nitrate on α-Fe2O3 generates three nitrogen gas-phase products including NO2, NO, and N2O.  As shown here, different environmental conditions of water vapor pressure and the presence of mol. oxygen greatly influence the relative photoproduct distribution from nitrate surface photochem.  The atm. implications of these results are discussed. [on SciFinder(R)]},
	keywords = {surface photochem nitrate nitric acid adsorbate iron oxide particle},
	isbn = {1089-5639},
	author = {Nanayakkara, Charith E. and Jayaweera, Pradeep M. and Rubasinghege, Gayan and Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {96,
	title = {Thermally-driven structural changes of graphene oxide multilayer films deposited on glass substrate.},
	journal = {Superlattices and Microstructures},
	volume = {75},
	year = {2014},
	note = {CAPLUS AN 2014:1440905(Journal; Online Computer File)},
	pages = {461 - 467},
	publisher = {Elsevier Ltd.},
	abstract = {Graphene oxide (GO) has been recognized as an important intermediate compd. for a potential low-cost large-scale graphene-like film fabrication.  In this work, graphene oxide multilayer films deposited on glass substrate were reduced using different thermal redn. methods, including low-temp. annealing, flame-induced and laser redn., and the corresponding surface morphol. and structural properties were investigated.  These graphene oxide thermal redn. methods strongly affected surface morphol. and differently facilitated structural and chem. transformations of graphene oxide.  As evidenced by Raman measurements, thermal annealing and laser redn. of graphene oxide produced more ordered graphene-like structure multilayer films.  However, surface morphol. differences were obsd. and attributed to the different de-oxidn. mechanisms of GO.  This Letter provides an important systematic comparison between the GO redn. methods and thermally-driven structural changes they provide to the reduced GO multilayer films obtained. [on SciFinder(R)]},
	keywords = {glass substrate graphene oxide multilayer film deposition structural change},
	isbn = {0749-6036},
	author = {Lazauskas, A. and Baltrusaitis, J. and Grigaliunas, V. and Guobiene, A. and Prosycevas, I. and Narmontas, P. and Abakeviciene, B. and Tamulevicius, S.}
}
@article {97,
	title = {Water adsorption constrained Frenkel-Halsey-Hill adsorption activation theory: Montmorillonite and illite.},
	journal = {Atmospheric Environment},
	volume = {87},
	year = {2014},
	note = {CAPLUS AN 2014:435046(Journal; Online Computer File)},
	pages = {26 - 33},
	publisher = {Elsevier Ltd.},
	abstract = {Fresh mineral aerosol has recently been found to be effective cloud condensation nuclei (CCN) and contribute to the no. of cloud droplets in the atm. due to the effect of water adsorption on CCN activation.  The work described here uses exptl. water adsorption measurements on Na-montmorillonite and illite clay to det. empirical adsorption parameters that can be used in a recently derived theor. framework (Frenkel-Halsey-Hill Activation Theory, FHH-AT) that accounts for the effect of water adsorption on CCN activation.  Upon fitting the Frenkel-Halsey-Hill (FHH) adsorption model to water adsorption measurements, we find FHH adsorption parameters, A and B, to be 98 {\textpm} 22 and 1.79 {\textpm} 0.11 for montmorillonite and 75 {\textpm} 17 and 1.77 {\textpm} 0.11 for illite, resp.  The A and B values obtained from water adsorption measurements differ from values reported previously detd. by applying FHH-AT to CCN activation measurements.  Differences in FHH adsorption parameters were attributed to different methods used to obtain them and the hydratable nature of the clays.  FHH adsorption parameters detd. from water adsorption measurements were then used to calc. the crit. super-satn. (s) for CCN activation using FHH-AT.  The relationship between s and the dry particle diam. (D) gave CCN activation curve exponents (x) of -0.61 and -0.64 for montmorillonite and illite, resp.  The x values were slightly lower than reported previously for mineral aerosol.  The lower exponent suggests that the CCN activity of hydratable clays is less sensitive to changes in D and the hygroscopicity parameter exhibits a broader variability with D compared to more sol. aerosols.  Despite the differences in A, B and x, the FHH-AT derived CCN activities of montmorillonite and illite are quite similar to each other and in excellent agreement with exptl. CCN measurements resulting from wet-generated clay aerosol.  This study illustrates that FHH-AT using adsorption parameters constrained by water adsorption is a simple, valid method for predicting CCN activation of fresh clay minerals and provides parameters that can be used in atm. models to study the effect of mineral dust aerosol on cloud formation and climate. [on SciFinder(R)]},
	keywords = {dust montmorillonite illite water adsorption activation cloud condensation nuclei},
	isbn = {1352-2310},
	author = {Hatch, Courtney D. and Greenaway, Ann L. and Christie, Matthew J. and Baltrusaitis, Jonas.}
}
@article {98,
	title = {Bringing the ocean into the laboratory to probe the chemical complexity of sea spray aerosol.},
	journal = {Proceedings of the National Academy of Sciences of the United States of America},
	volume = {110},
	year = {2013},
	note = {CAPLUS AN 2013:915844(Journal)},
	pages = {7550-7555, S7550/1-S7550/10},
	publisher = {National Academy of Sciences},
	abstract = {The prodn., size, and chem. compn. of sea spray aerosol (SSA) particles strongly depend on seawater chem., which is controlled by phys., chem., and biol. processes.  Despite decades of marine environment studies, a direct relationship has yet to be established between ocean biol. and physicochem. SSA properties.  The ability to establish such relationships is hindered because SSA measurements are typically dominated by overwhelming background aerosol concns., even in remote marine environments.  This work describes a newly developed approach to reproduce SSA chem. complexity a lab. setting, comprising a unique ocean/atm. facility equipped with actual breaking waves.  A mesocosm expt., performed with natural seawater using controlled phytoplankton and heterotrophic bacteria concns., showed SSA size and chem. mixing state are acutely sensitive to the aerosol prodn. mechanism and to the type of biol. species present.  The largest redn. in SSA hygroscopicity occurred as heterotrophic bacteria concns. increased, whereas phytoplankton and chlorophyll-a concns. decreased, directly corresponding to a change in mixing state in the smallest size range (60-180 nm).  Using this newly developed approach to generate realistic SSA, systematic studies can now be performed to advance the fundamental understanding of the effect of ocean biol. on SSA chem. mixing state, heterogeneous reactivity, and resulting climate-relevant properties. [on SciFinder(R)]},
	keywords = {air pollution sea spray aerosol, chem mixing state heterogeneous reactivity sea spray aerosol, controlled heterotrophic bacteria phytoplankton addn sea spray aerosol, sea spray aerosol prodn size chem compn assessment facility},
	isbn = {0027-8424},
	author = {Prather, Kimberly A. and Bertram, Timothy H. and Grassian, Vicki H. and Deane, Grant B. and Stokes, M. Dale and DeMott, Paul J. and Aluwihare, Lihini I. and Palenik, Brian P. and Azam, Farooq and Seinfeld, John H. and Moffet, Ryan C. and Molina, Mario J. and Cappa, Christopher D. and Geiger, Franz M. and Roberts, Gregory C. and Russell, Lynn M. and Ault, Andrew P. and Baltrusaitis, Jonas and Collins, Douglas B. and Corrigan, Craig E. and Cuadra-Rodriguez, Luis A. and Ebben, Carlena J. and Forestieri, Sara D. and Guasco, Timothy L. and Hersey, Scott P. and Kim, Michelle J. and Lambert, William F. and Modini, Robin L. and Mui, Wilton and Pedler, Byron E. and Ruppel, Matthew J. and Ryder, Olivia S. and Schoepp, Nathan G. and Sullivan, Ryan C. and Zhao, Defeng.}
}
@article {99,
	title = {Coal fly ash impairs airway antimicrobial peptides and increases bacterial growth.},
	journal = {PLoS One},
	volume = {8},
	year = {2013},
	note = {CAPLUS AN 2013:396251(Journal; Online Computer File)},
	pages = {e57673},
	publisher = {Public Library of Science},
	abstract = {Air pollution is a risk factor for respiratory infections, and one of its main components is particulate matter (PM), which is comprised of a no. of particles that contain iron, such as coal fly ash (CFA).  Since free iron concns. are extremely low in airway surface liq. (ASL), we hypothesize that CFA impairs antimicrobial peptides (AMP) function and can be a source of iron to bacteria.  We tested this hypothesis in vivo by instilling mice with Pseudomonas aeruginosa (PA01) and CFA and det. the percentage of bacterial clearance.  In addn., we tested bacterial clearance in cell culture by exposing primary human airway epithelial cells to PA01 and CFA and detg. the AMP activity and bacterial growth in vitro.  We report that CFA is a bioavailable source of iron for bacteria.  We show that CFA interferes with bacterial clearance in vivo and in primary human airway epithelial cultures.  Also, we demonstrate that CFA inhibits AMP activity in vitro, which we propose as a mechanism of our cell culture and in vivo results.  Furthermore, PA01 uses CFA as an iron source with a direct correlation between CFA iron dissoln. and bacterial growth.  CFA concns. used are very relevant to human daily exposures, thus posing a potential public health risk for susceptible subjects.  Although CFA provides a source of bioavailable iron for bacteria, not all CFA particles have the same biol. effects, and their propensity for iron dissoln. is an important factor.  CFA impairs lung innate immune mechanisms of bacterial clearance, specifically AMP activity.  We expect that identifying the PM mechanisms of respiratory infections will translate into public health policies aimed at controlling, not only concn. of PM exposure, but physicochem. characteristics that will potentially cause respiratory infections in susceptible individuals and populations. [on SciFinder(R)]},
	isbn = {1932-6203},
	author = {Borcherding, Jennifer A. and Chen, Haihan and Caraballo, Juan C. and Baltrusaitis, Jonas and Pezzulo, Alejandro A. and Zabner, Joseph and Grassian, Vicki H. and Comellas, Alejandro P.}
}
@article {100,
	title = {Effect of phosphate salts (Na3PO4, Na2HPO4, and NaH2PO4) on Ag3PO4 morphology for photocatalytic dye degradation under visible light and toxicity of the degraded dye products.},
	journal = {Industrial \& Engineering Chemistry Research},
	volume = {52},
	year = {2013},
	note = {CAPLUS AN 2013:1789489(Journal; Online Computer File)},
	pages = {17369 - 17375},
	publisher = {American Chemical Society},
	abstract = {Ag3PO4 was synthesized by the pptn. method using three different types of phosphate salts (Na3PO4, Na2HPO4, and NaH2PO4) as a pptg. agent.  Hydrolysis of each phosphate salt gave a specific pH that affected the purity and morphol. of the prepd. Ag3PO4.  The Ag3PO4 prepd. from Na2HPO4 showed the best photocatalytic activity induced by visible light to degrade methylene blue dye.  During the photocatalytic process, Ag3PO4 decompd. and produced metallic Ag, and this evidence was confirmed by the X-ray diffraction technique and XPS.  The photocatalytic efficiency decreased with the no. of recycles used.  This Ag3PO4 photocatalyst also degraded another cationic dye, rhodamine B, but did not degrade reactive orange, an anionic dye.  The degraded products produced by the photocatalysis had lower toxicities than the untreated dyes using Chlorella vulgaris as a bioindicator. [on SciFinder(R)]},
	keywords = {phosphate salt silver phosphate morphol photocatalytic dye degrdn, visible light toxicity},
	isbn = {0888-5885},
	author = {Amornpitoksuk, Pongsaton and Intarasuwan, Khanitta and Suwanboon, Sumetha and Baltrusaitis, Jonas.}
}
@article {101,
	title = {Effects of Eyjafjallajokull volcanic ash on innate immune system responses and bacterial growth in vitro},
	journal = {Environmental health perspectives},
	volume = {121},
	year = {2013},
	note = {MEDLINE AN 2013450089(Journal; Article; (JOURNAL ARTICLE); (RESEARCH SUPPORT, N.I.H., EXTRAMURAL); (RESEARCH SUPPORT, U.S. GOV{\textquoteright}T, NON-P.H.S.))},
	pages = {691 - 8},
	abstract = {BACKGROUND:  On 20 March 2010, the Icelandic volcano Eyjafjallajokull erupted for the first time in 190 years.  Despite many epidemiological reports showing effects of volcanic ash on the respiratory system, there are limited data evaluating cellular mechanisms involved in the response to ash.  Epidemiological studies have observed an increase in respiratory infections in subjects and populations exposed to volcanic eruptions.  METHODS:  We physicochemically characterized volcanic ash, finding various sizes of particles, as well as the presence of several transition metals, including iron.  We examined the effect of Eyjafjallajokull ash on primary rat alveolar epithelial cells and human airway epithelial cells (20-100 μg/cm(2)), primary rat and human alveolar macrophages (5-20 μg/cm(2)), and Pseudomonas aeruginosa (PAO1) growth (3 μg/104 bacteria).  RESULTS:  Volcanic ash had minimal effect on alveolar and airway epithelial cell integrity.  In alveolar macrophages, volcanic ash disrupted pathogen-killing and inflammatory responses.  In in vitro bacterial growth models, volcanic ash increased bacterial replication and decreased bacterial killing by antimicrobial peptides.  CONCLUSIONS:  These results provide potential biological plausibility for epidemiological data that show an association between air pollution exposure and the development of respiratory infections.  These data suggest that volcanic ash exposure, while not seriously compromising lung cell function, may be able to impair innate immunity responses in exposed individuals.[on SciFinder (R)]},
	isbn = {1552-9924},
	author = {Monick, Martha M. and Baltrusaitis, Jonas and Powers, Linda S. and Borcherding, Jennifer A. and Caraballo, Juan C. and Mudunkotuwa, Imali and Peate, David W. and Walters, Katherine and Thompson, Jay M. and Grassian, Vicki H. and Gudmundsson, Gunnar and Comellas, Alejandro P.}
}
@article {102,
	title = {Enhanced photocatalytic activities of Ag/ZnO powders modified by diblock copolymer.},
	journal = {Advanced Materials Research (Durnten-Zurich, Switzerland)},
	volume = {770},
	year = {2013},
	note = {CAPLUS AN 2014:266267(Journal; Online Computer File)},
	pages = {34 - 37},
	publisher = {Trans Tech Publications Ltd.},
	abstract = {Ag/ZnO powders were synthesized through a pptn. method, using poly(ethylene oxide)-block-poly(propylene oxide) as stabilizer.  X-ray diffraction patterns of all prepd. powders showed a mixed phase of Ag and ZnO.  The existence of metallic Ag on the surface of all prepd. ZnO powders was confirmed by XPS.  Their photocatalytic activities were investigated through the degrdn. of a methylene blue soln. under blacklight illumination.  The Ag/ZnO prepd. from the Zn2+ soln. contg. 7 mol\% of Ag+ had the highest photocatalytic activity and this also showed better photocatalytic activity than a com. ZnO powder. [on SciFinder(R)]},
	keywords = {photocatalysis Ag ZnO powder modified diblock copolymer},
	isbn = {1662-8985},
	author = {Amornpitoksuk, Pongsaton and Suwanboon, Sumetha and Muensit, Nantakan and Baltrusaitis, Jonas.}
}
@article {103,
	title = {Exploration of the role of anions in the synthesis of Cr containing mesoporous materials at room temperature.},
	journal = {Microporous and Mesoporous Materials},
	volume = {170},
	year = {2013},
	note = {CAPLUS AN 2013:185238(Journal; Online Computer File)},
	pages = {211 - 225},
	publisher = {Elsevier Inc.},
	abstract = {Chromium contg. mesoporous silica materials were synthesized via a modified Stoeber synthesis at room temp.  The chromium ion loading and the effect of counterion in the synthesis were studied.  The mesoporous materials were extensively characterized by powder XRD, N2 physisorption, Atomic Absorption Spectroscopy (AAS), FTIR Spectroscopy (FTIR), Diffuse Reflectance Spectroscopy (DRS UV-visible), hydrogen Temp.-Programmed Redn. (H2-TPR), XPS, and TEM studies.  A transition from Ia3̅d cubic phase to p6mm hexagonal or wormhole phases was noted as more amts. of chromium were incorporated into the siliceous materials.  Chromium species present in the silica matrix include monochromate, polychromate, and chromium oxide (Cr2O3) clusters. [on SciFinder(R)]},
	keywords = {anion chromium mesoporous material room temp},
	isbn = {1387-1811},
	author = {Mahoney, Luther and Wu, Chia-Ming and Kibombo, Harrison S. and Thiruppathi, Eagappanath and Baltrusaitis, Jonas and Rasalingam, Shivatharsiny and Koodali, Ranjit T.}
}
@article {104,
	title = {H2S-Mediated Thermal and Photochemical Methane Activation.},
	journal = {ChemPhysChem},
	volume = {14},
	year = {2013},
	note = {CAPLUS AN 2013:1649184(Journal)},
	pages = {3960 - 3970},
	publisher = {Wiley-VCH Verlag GmbH \& Co. KGaA},
	abstract = {Sustainable, low-temp. methods for natural gas activation are crit. in addressing current and foreseeable energy and hydrocarbon feedstock needs.  Large portions of natural gas resources are still too expensive to process due to their high content of hydrogen sulfide gas (H2S) mixed with methane, deemed altogether as sub-quality or "sour" gas.  We propose a unique method of activation to form a mixt. of sulfur-contg. hydrocarbon intermediates, CH3SH and CH3SCH3, and an energy carrier such as H2.  For this purpose, we investigated the H2S-mediated methane activation to form a reactive CH3SH species by means of direct photolysis of sub-quality natural gas.  Photoexcitation of hydrogen sulfide in the CH4 + H2S complex resulted in a barrierless relaxation by a conical intersection to form a ground-state CH3SH + H2 complex.  The resulting CH3SH could further be coupled over acidic catalysts to form higher hydrocarbons, and the resulting H2 used as a fuel.  This process is very different from conventional thermal or radical-based processes and can be driven photolytically at low temps., with enhanced control over the conditions currently used in industrial oxidative natural gas activation.  Finally, the proposed process is CO2 neutral, as opposed to the current industrial steam methane reforming (SMR). [on SciFinder(R)]},
	keywords = {hydrogen sulfide mediated thermal photochem methane activation CAM B3LYP},
	isbn = {1439-4235},
	author = {Baltrusaitis, Jonas and de Graaf, Coen and Broer, Ria and Patterson, Eric V.}
}
@article {105,
	title = {Heterogeneous Uptake and Adsorption of Gas-Phase Formic Acid on Oxide and Clay Particle Surfaces: The Roles of Surface Hydroxyl Groups and Adsorbed Water in Formic Acid Adsorption and the Impact of Formic Acid Adsorption on Water Uptake.},
	journal = {Journal of Physical Chemistry A},
	volume = {117},
	year = {2013},
	note = {CAPLUS AN 2013:1536458(Journal; Online Computer File)},
	pages = {11316 - 11327},
	publisher = {American Chemical Society},
	abstract = {Org. acids in the atm. are ubiquitous and are often correlated with mineral dust aerosol.  Heterogeneous chem. and the uptake of org. acids on mineral dust particles can potentially alter the properties of the particle.  In this study, heterogeneous uptake and reaction of formic acid, HCOOH, the most abundant carboxylic acid present in the atm., on oxide and clays of the most abundant elements, Si and Al, present in the Earth{\textquoteright}s crust are investigated under dry and humid conditions.  In particular, quant. adsorption measurements using a Quartz Crystal Microbalance (QCM) coupled with spectroscopic studies using Attenuated Total Reflection Fourier Transform IR (ATR-FTIR) spectroscopy are combined to allow for both quantification of the amt. of uptake and identification of distinct adsorbed species formed on silica, alumina, and kaolinite particle surfaces at 298 K.  These oxides and clay particles show significant differences in the extent and speciation of adsorbed HCOOH due to inherent differences in surface -OH group reactivity.  Adsorbed water, controlled by relative humidity, can increase the irreversible uptake of formic acid.  Interestingly, the resulting layer of adsorbed formate on the particle surface decreases the particle hydrophilicity thereby decreasing the amt. of water taken up by the surface as measured by QCM.  Atm. implications of this study are discussed. [on SciFinder(R)]},
	keywords = {heterogeneous uptake adsorption gas phase formic acid oxide clay},
	isbn = {1089-5639},
	author = {Rubasinghege, Gayan and Ogden, Saralyn and Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {106,
	title = {Horizontal Attenuated Total Reflectance Fourier Transform Infrared and X-ray Photoelectron Spectroscopy Measurements of Water Adsorption on Oxidized Tin(II) Sulfide (SnS) Surfaces.},
	journal = {Journal of Physical Chemistry C},
	volume = {117},
	year = {2013},
	note = {CAPLUS AN 2012:1849049(Journal; Online Computer File)},
	pages = {472 - 482},
	publisher = {American Chemical Society},
	abstract = {Tin(II) sulfide (SnS) is considered to be a promising optoelectronic material due to its narrow band gap, strong optical absorption, low cost and nontoxic and chem. inert characteristics.  As an inherently stable compd., SnS surfaces are expected to be hydrophobic by nature.  However, exposure of pristine SnS surfaces to air inevitably leads to surface oxidn. which can affect the mineral{\textquoteright}s dissoln., reactivity, optical and electronic properties as well as hydrophobicity.  In the present study, water adsorption measurements on oxidized SnS thin films were performed using horizontal attenuated total reflection Fourier transform IR (HATR-FTIR) spectroscopy.  XPS anal. allowed for characterization of the SnS surface compn. before water vapor exposure and identification of any changes that occurred to the surface after water vapor exposure.  XPS results are consistent with water adsorption occurring on SnS surfaces contg. hydroxyl and carbonate groups.  Addnl., XPS anal. showed that exposure of SnS to water vapor resulted in no significant changes to the original surface compn.  Quant. water adsorption measurements using HATR-FTIR spectroscopy show that the oxidized SnS surface exhibits a slightly hydrophilic nature, demonstrating multilayer water adsorption at high relative humidity (RH) values.  Exptl. water adsorption data were fit using the Brunauer-Emmett-Teller (BET) and Freundlich adsorption models.  From these model fits, details of monolayer water adsorption and the water adsorption mechanisms were extd. to provide a better understanding of gas/surface adsorption on oxidized SnS surfaces.  Results suggest that water adsorption on SnS powder occurs in three distinct regimes, including sub-monolayer water adsorption up to monolayer coverage at 13\% RH, followed by filling of mesopores (13-76\% RH) and finally multilayer water adsorption ( > 76\% RH) via filling of macropores.  This study represents the first report of in situ water adsorption measurements on SnS as a function of relative humidity, illustrating how oxidized surface species can alter the hydrophobic nature of SnS surfaces. [on SciFinder(R)]},
	keywords = {horizontal attenuated total reflectance FTIR XPS, water adsorption oxidized tin sulfide surface},
	isbn = {1932-7447},
	author = {Hatch, Courtney D. and Christie, Matthew J. and Weingold, Robert M. and Wu, Chia-Ming and Cwiertny, David M. and Baltrusaitis, Jonas.}
}
@article {107,
	title = {Identification and Environmental Implications of Photo-Transformation Products of Trenbolone Acetate Metabolites.},
	journal = {Environmental Science \& Technology},
	volume = {47},
	year = {2013},
	note = {CAPLUS AN 2013:623700(Journal; Online Computer File)},
	pages = {5031 - 5041},
	publisher = {American Chemical Society},
	abstract = {Despite the widespread use of the anabolic androgen trenbolone acetate (TBA) in animal agriculture, evidence demonstrating the occurrence of TBA metabolites such as 17β-trenbolone (17β-TBOH), 17α-trenbolone (17α-TBOH), and trendione (TBO) is relatively scarce, potentially due to rapid transformation processes such as direct photolysis.  Therefore, we investigated the phototransformation of TBA metabolites and assocd. ecol. implications by characterizing the photoproducts arising from the direct photolysis of 17β-TBOH, 17α-TBOH, and TBO and their assocd. ecotoxicity.  LC-HRMS/MS anal. identified a range of hydroxylated products that were no longer photoactive, with primary photoproducts consisting of monohydroxy species and presumptive diastereomers.  Also obsd. were higher-order hydroxylated products probably formed via subsequent reaction of primary photoproducts.  NMR anal. confirmed the formation of 12,17-dihydroxy-estra-5(10),9(11),dien-3-one (12-hydroxy-TBOH; 2.2 mg), 10,12,17-trihydroxy-estra-4,9(11),dien-3-one (10,12-dihydroxy-TBOH; 0.7 mg), and a ring-opened 11,12-dialdehyde oxidn. product (TBOH-11,12-dialdehyde; 1.0 mg) after irradn. of \~{}14 mg of 17β-trenbolone.  Though unconfirmed by NMR, our data suggest that the formation of addnl. isomeric products may occur, likely due to the reactivity of the unique 4,9,11 conjugated triene structure of trenbolone.  In vivo exposure studies employing Japanese medaka (Oryzias latipes) indicate that low concns. of 17α-TBOH photoproduct mixts. can alter ovarian follicular development, and photoproducts alter whole-body 17β-estradiol levels.  Therefore, direct photolysis yields photoproducts with strong structural similarity to parent steroids, and these photoproducts still retain enough biol. activity to elicit observable changes to endocrine function at trace concns.  These data indicate that environmental transformation processes do not necessarily reduce steroid hormone ecotoxicity. [on SciFinder(R)]},
	keywords = {photodegrdn trenbolone acetate metabolite Oryzias ecotoxicity},
	isbn = {0013-936X},
	author = {Kolodziej, Edward P. and Qu, Shen and Forsgren, Kristy L. and Long, Sarah A. and Gloer, James B. and Jones, Gerrad D. and Schlenk, Daniel and Baltrusaitis, Jonas and Cwiertny, David M.}
}
@article {108,
	title = {Influence of Ti-O-Si hetero-linkages in the photocatalytic degradation of Rhodamine B.},
	journal = {Catalysis Communications},
	volume = {31},
	year = {2013},
	note = {CAPLUS AN 2013:15798(Journal; Online Computer File)},
	pages = {66 - 70},
	publisher = {Elsevier B.V.},
	abstract = {The influence of Ti-O-Si hetero-linkages in the degrdn. of Rhodamine B (RhB) dye over TiO2-SiO2 xerogels is exemplified by XPS anal.  The authors demonstrate a relationship between the percentage surface content of Ti-O-Si and the rate of photocatalytic degrdn. of RhB.  The authors detailed surface investigation revealed that the overall degrdn. of RhB is enhanced due to the high surface percentage content of Ti-O-Si species, high crystallinity of titania phase, and its effective dispersion on a high surface area porous silica support. [on SciFinder(R)]},
	keywords = {titania silica xerogel visible light photocatalyst},
	isbn = {1566-7367},
	author = {Rasalingam, Shivatharsiny and Kibombo, Harrison S. and Wu, Chia-Ming and Budhi, Sridhar and Peng, Rui and Baltrusaitis, Jonas and Koodali, Ranjit T.}
}
@article {109,
	title = {Inside versus Outside: Ion Redistribution in Nitric Acid Reacted Sea Spray Aerosol Particles as Determined by Single Particle Analysis.},
	journal = {Journal of the American Chemical Society},
	volume = {135},
	year = {2013},
	note = {CAPLUS AN 2013:1428969(Journal; Online Computer File)},
	pages = {14528 - 14531},
	publisher = {American Chemical Society},
	abstract = {Single particle anal. of individual sea spray aerosol particles showed cations (Na+, K+, Mg2+, Ca2+) within individual particles undergo a spatial redistribution following heterogeneous reaction with HNO3, along with development of a more concd. layer of org. matter at the particle surface.  These data suggested specific ion and aerosol pH effects play an important role in aerosol particle structure in ways not previously recognized. [on SciFinder(R)]},
	keywords = {ion redistribution sea spray aerosol particle nitric acid reaction, single particle analysis monitoring ion redistribution sea spray aerosol},
	isbn = {0002-7863},
	author = {Ault, Andrew P. and Guasco, Timothy L. and Ryder, Olivia S. and Baltrusaitis, Jonas and Cuadra-Rodriguez, Luis A. and Collins, Douglas B. and Ruppel, Matthew J. and Bertram, Timothy H. and Prather, Kimberly A. and Grassian, Vicki H.}
}
@article {110,
	title = {Investigation of the role of platinum oxide for the degradation of phenol under simulated solar irradiation.},
	journal = {Applied Catalysis, B: Environmental},
	volume = {136-137},
	year = {2013},
	note = {CAPLUS AN 2013:414160(Journal; Online Computer File)},
	pages = {248 - 259},
	publisher = {Elsevier B.V.},
	abstract = {The authors demonstrate that a desired oxidn. state can be achieved by synthetic colloidal methods and the choice of characterization technique is crucial for detg. the physicochem. properties that influence the photocatalytic activities.  XPS studies showed that PtO2 was realized in this study, and the resultant cryst. PtO2-TiO2 prepd. by subsequent hydrothermal treatment demonstrated activity for phenol degrdn. under simulated solar light irradn.  Preformed platinum based TiO2 ensures control over the oxidn. state and the crystallite size of titania.  The role of Ptox in the form of stable Pt4+ is elucidated as a mild recombination center, whereas the crystallite size of Pt in surfactant free Pt0-TiO2 appears to be the overriding factor for attaining enhanced photocatalytic performance. [on SciFinder(R)]},
	keywords = {platinum oxide titania photocatalyst phenol photodegrdn solar irradn},
	isbn = {0926-3373},
	author = {Kibombo, Harrison S. and Wu, Chia-Ming and Peng, Rui and Baltrusaitis, Jonas and Koodali, Ranjit T.}
}
@article {111,
	title = {Phenomenon of Quantum Entanglement in a System Composed of Two Minimal Protocells.},
	journal = {Origins of Life and Evolution of Biospheres},
	volume = {43},
	year = {2013},
	note = {CAPLUS AN 2013:302357(Journal; Online Computer File)},
	pages = {49 - 66},
	publisher = {Springer},
	abstract = {The quantum mech. self-assembly of two sep. photoactive supramol. systems with different photosynthetic centers was investigated by means of d. functional theory methods.  Quantum entangled energy transitions from one subsystem to the other and the assembly of logically controlled artificial minimal protocells were modeled.  The systems studied were based on different photoactive sensitizer mols. covalently bonded to a non-canonical oxo-guanine::cytosine supramol. with the precursor of a fatty acid (pFA) mol. attached via Van der Waals forces, all surrounded by water mols.  The electron correlation interactions responsible for the weak hydrogen and Van der Waals chem. bonds increased due to the addn. of polar water solvent mols.  The distances between the sepd. sensitizer, nucleotide, pFA, and water mols. are comparable to Van der Waals and hydrogen bonding radii.  As a result, the overall system becomes compressed, resulting in photo-excited electron tunneling from the sensitizer (bis(4-diphenylamine-2-phenyl)-squarine or 1,4-bis(N,N-dimethylamino)naphthalene) to the pFA mols.  Absorption spectra as well as electron transfer trajectories assocd. with the different excited states were calcd. using time dependent d. functional theory methods.  The results allow sepn. of the quantum entangled photosynthetic transitions within the same minimal protocell and with the neighboring minimal protocell.  The transferred electron is used to cleave a "waste" org. mol. resulting in the formation of the desired product.  A two variable, quantum entangled AND logic gate was proposed, consisting of two input photoactive sensitizer mols. and one output (pFA mol.).  It is proposed that a similar process might be applied for the destruction of tumor cancer cells or to yield building blocks in artificial cells. [on SciFinder(R)]},
	keywords = {protocell quantum self assembly entanglement},
	isbn = {0169-6149},
	author = {Tamulis, Arvydas and Grigalavicius, Mantas and Baltrusaitis, Jonas.}
}
@article {112,
	title = {Polyvinylpyrrolidone surface modification with SiOx containing amorphous hydrogenated carbon (a-C:H/SiOx) and nitrogen-doped a-C:H/SiOx films using Hall-type closed drift ion beam source.},
	journal = {Thin Solid Films},
	volume = {538},
	year = {2013},
	note = {CAPLUS AN 2012:1904654(Journal; Online Computer File)},
	pages = {25 - 31},
	publisher = {Elsevier B.V.},
	abstract = {In this study SiOx contg. amorphous hydrogenated C (a-C:H/SiOx) and N-doped a-C:H/SiOx (a-C:H:N/SiOx) films were deposited on polyvinylpyrrolidone (PVP) templates of variable thickness using a Hall-type closed drift ion beam source with const. irradn. parameters.  A detailed surface characterization was followed using at. force microscopy (AFM) topog. images, surface morphol. parameters, height distribution histograms and bearing ratio curves with hybrid parameters.  The AFM anal. directly showed that the a-C:H/SiOx/PVP and a-C:H:N/SiOx/PVP composite films represent different morphologies with characteristic surface textures.  Surface adhesive properties were evaluated by measuring the force required to sep. the AFM tip from the surface by AFM force-distance curves.  The variance in adhesion force detected was lower for a-C:H/SiOx/PVP composite films due to lower structural homogeneity of the surfaces.  FTIR spectroscopy anal. was performed to study the blend behavior of PVP upon a-C:H/SiOx and a-C:H:N/SiOx direct ion beam deposition.  Interfacial interactions of PVP with the direct ion beam induced changes in the carbonyl group of the PVP and are dependent on the carrier gas used for the synthesis of the amorphous hydrogenated C films. [on SciFinder(R)]},
	keywords = {ion beam, polyvinylpyrrolidone PVP surface modification amorphous carbon silicon oxide},
	isbn = {0040-6090},
	author = {Lazauskas, A. and Grigaliunas, V. and Guobiene, A. and Puiso, J. and Prosycevas, I. and Baltrusaitis, J.}
}
@article {113,
	title = {Product-to-parent reversion of trenbolone: Unrecognized risks for endocrine disruption.},
	journal = {Science (Washington, DC, United States)},
	volume = {342},
	year = {2013},
	note = {CAPLUS AN 2013:1616444(Journal)},
	pages = {347 - 351},
	publisher = {American Association for the Advancement of Science},
	abstract = {Trenbolone acetate (TBA) is a high-value steroidal growth promoter often administered to beef cattle, whose metabolites are potent endocrine-disrupting compds.  We performed lab. and field phototransformation expts. to assess the fate of TBA metabolites and their photoproducts.  Unexpectedly, we obsd. that the rapid photohydration of TBA metabolites is reversible under conditions representative of those in surface waters (pH 7, 25{\textdegree}C).  This product-to-parent reversion mechanism results in diurnal cycling and substantial regeneration of TBA metabolites at rates that are strongly temp.- and pH-dependent.  Photoproducts can also react to produce structural analogs of TBA metabolites.  These reactions also occur in structurally similar steroids, including human pharmaceuticals, which suggests that predictive fate models and regulatory risk assessment paradigms must account for transformation products of high-risk environmental contaminants such as endocrine-disrupting steroids. [on SciFinder(R)]},
	keywords = {trenbolone metabolite reversion endocrine disruption environment risk},
	isbn = {0036-8075},
	author = {Qu, Shen and Kolodziej, Edward P. and Long, Sarah A. and Gloer, James B. and Patterson, Eric V. and Baltrusaitis, Jonas and Jones, Gerrad D. and Benchetler, Peter V. and Cole, Emily A. and Kimbrough, Kaitlin C. and Tarnoff, Matthew D. and Cwiertny, David M.}
}
@article {114,
	title = {Selective Hydrothermal Method To Create Patterned and Photoelectrochemically Effective Pt/WO3 Interfaces.},
	journal = {ACS Applied Materials \& Interfaces},
	volume = {5},
	year = {2013},
	note = {CAPLUS AN 2013:1794444(Journal; Online Computer File)},
	pages = {13050 - 13054},
	publisher = {American Chemical Society},
	abstract = {A hydrothermal method based on the use of hydrogen peroxide is described to grow a homogeneous layer of tungsten oxide (WO3) on a platinum (Pt) film supported on a silicon wafer.  WO3 growth is highly selective for Pt when present on silicon in a patterned arrangement, demonstrating that Pt catalyzes decompn. of the WO3 precursor in soln.  The obtained Pt/WO3 interface yields high photocurrents of 1.1 mA/cm2 in photoelectrochem. water splitting when illuminated by a solar simulator.  The photocurrents are significantly higher than most previously reported values for hydrothermally grown layers on indium-tin oxide and fluorine-tin oxide glasses.  The selective growth method thus provides new options to effectively implement WO3 in photoelectrochem. devices. [on SciFinder(R)]},
	keywords = {hydrothermal patterned photoelectrochem effective platinum tungsten oxide interfaces},
	isbn = {1944-8244},
	author = {Zoontjes, Michel G. C. and Huijben, Mark and Baltrusaitis, Jonas and van der Wiel, Wilfred G. and Mul, Guido.}
}
@article {115,
	title = {Size-Dependent Changes in Sea Spray Aerosol Composition and Properties with Different Seawater Conditions.},
	journal = {Environmental Science \& Technology},
	volume = {47},
	year = {2013},
	note = {CAPLUS AN 2013:690844(Journal; Online Computer File)},
	pages = {5603 - 5612},
	publisher = {American Chemical Society},
	abstract = {Much uncertainty exists regarding the chem. diversity of particles in sea spray aerosol (SSA) and the degree of mixing between inorg. and org. species in individual SSA particles.  Single particle anal. of SSA particles was performed, integrating transmission electron microscopy with energy dispersive x-ray anal. and scanning transmission x-ray microscopy with near edge x-ray absorption fine structure spectroscopy, focusing on quantifying the relative fractions of different particle types from 30 nm to 1 μm.  SSA particles were produced from seawater in a unique ocean/atm. facility equipped with breaking waves.  Changes to SSA compn. and properties after adding biol. (bacteria, phytoplankton) and org. material (ZoBell growth media) were probed.  Sub-micrometer SSA particles could be sepd. into 2 distinct populations: one with a characteristic sea-salt core composed primarily of NaCl and an org. C and Mg2+ coating (SS-OC); and a second type consisting of org. C (OC) species more homogeneously mixed with cations and anions, but not Cl-.  SS-OC particles exhibited a range of sizes, compns., morphologies, and element distributions within each particle.  Following addn. of biol. and org. material to seawater, a change occurred in particle morphol. and crystn. behavior assocd. with increasing org. content for SS-OC particles.  The fraction of OC-type particles, mainly present at <180 nm, was dramatically enhanced with increased biol. activity.  These changes with size and seawater compn. have important implications for atm. processes, e.g., cloud droplet activation and heterogeneous reactivity. [on SciFinder(R)]},
	keywords = {size dependent change sea spray aerosol compn},
	isbn = {0013-936X},
	author = {Ault, Andrew P. and Moffet, Ryan C. and Baltrusaitis, Jonas and Collins, Douglas B. and Ruppel, Matthew J. and Cuadra-Rodriguez, Luis A. and Zhao, Defeng and Guasco, Timothy L. and Ebben, Carlena J. and Geiger, Franz M. and Bertram, Timothy H. and Prather, Kimberly A. and Grassian, Vicki H.}
}
@article {116,
	title = {Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes.},
	journal = {Energy \& Environmental Science},
	volume = {6},
	year = {2013},
	note = {CAPLUS AN 2013:1669488(Journal; General Review; Online Computer File)},
	pages = {3112 - 3135},
	publisher = {Royal Society of Chemistry},
	abstract = {A review.  This review highlights recent developments and future perspectives in carbon dioxide usage for the sustainable prodn. of energy and chems. and to reduce global warming.  We discuss the heterogeneously catalyzed hydrogenation, as well as the photocatalytic and electrocatalytic conversion of CO2 to hydrocarbons or oxygenates.  Various sources of hydrogen are also reviewed in terms of their CO2 neutrality.  Technologies have been developed for large-scale CO2 hydrogenation to methanol or methane.  Their industrial application is, however, limited by the high price of renewable hydrogen and the availability of large-vol. sources of pure CO2.  With regard to the direct electrocatalytic redn. of CO2 to value-added chems., substantial advances in electrodes, electrolyte, and reactor design are still required to permit the development of com. processes.  Therefore, in this review particular attention is paid to (i) the design of metal electrodes to improve their performance and (ii) recent developments of alternative approaches such as the application of ionic liqs. as electrolytes and of microorganisms as co-catalysts.  The most significant improvements both in catalyst and reactor design are needed for the photocatalytic functionalization of CO2 to become a viable technol. that can help in the usage of CO2 as a feedstock for the prodn. of energy and chems.  Apart from technol. aspects and catalytic performance, we also discuss fundamental strategies for the rational design of materials for effective transformations of CO2 to value-added chems. with the help of H2, electricity and/or light. [on SciFinder(R)]},
	keywords = {carbon dioxide fuel chem catalytic photocatalytic electrocatalytic process review},
	isbn = {1754-5706},
	author = {Kondratenko, Evgenii V. and Mul, Guido and Baltrusaitis, Jonas and Larrazabal, Gaston O. and Perez-Ramirez, Javier.}
}
@article {117,
	title = {Surface morphology, cohesive and adhesive properties of amorphous hydrogenated carbon nanocomposite films.},
	journal = {Applied Surface Science},
	volume = {276},
	year = {2013},
	note = {CAPLUS AN 2013:610809(Journal; Online Computer File)},
	pages = {543 - 549},
	publisher = {Elsevier B.V.},
	abstract = {In this work, amorphous hydrogenated carbon (a-C:H), SiOx-contg. a-C:H (a-C:H/SiOx) and nitrogen-doped a-C:H/SiOx (a-C:H:N/SiOx) thin films were deposited on chromium thin film-coated glass using a closed drift ion beam source.  Acetylene gas, hexamethyldisiloxane and hydrogen or 20\% nitrogen/hydrogen mixt. were used as precursors.  Resulting hydrogenated carbon thin film surface morphol. as well as their cohesive and adhesive properties were studied using progressive loading scratch tests followed by optical microscopy anal.  Surface anal. was also performed using at. force microscopy via topog., surface morphol. parameter, height distribution histogram and bearing ratio curve based hybrid parameter measurements.  The a-C:H/SiOx and a-C:H:N/SiOx thin films showed better mech. strength as compared to the conventional a-C:H films.  XPS was used to det. the chem. compn. of these films.  It showed increased amts. of silicon and absence of terminal oxygenated carbon bonds in a-C:H:N/SiOx thin film which was attributed to its improved mech. properties. [on SciFinder(R)]},
	keywords = {amorphous hydrogenated carbon film morphol property nitrogen silicon doping},
	isbn = {0169-4332},
	author = {Lazauskas, A. and Grigaliunas, V. and Meskinis, S. and Ecarla, F. and Baltrusaitis, J.}
}
@article {118,
	title = {Synthesis and characterization of ligand stabilized CdS-Trititanate composite materials for visible light-induced photocatalytic water splitting.},
	journal = {International Journal of Hydrogen Energy},
	volume = {38},
	year = {2013},
	note = {CAPLUS AN 2013:43824(Journal; Online Computer File)},
	pages = {2656 - 2669},
	publisher = {Elsevier Ltd.},
	abstract = {We report a facile method for the synthesis of 4-mercaptobenzoic acid (MBA) stabilized CdS-trititanate nanotube (CdS-TNT) composite materials.  The resultant materials were well characterized by powder X-Ray Diffraction (XRD), N2 physisorption, Raman spectroscopy, UV-Visible Diffuse Reflectance spectroscopy (DRS), Fourier-Transform Infra-Red (FT-IR) spectroscopy, Photoluminescence (PL) spectroscopy, XPS, Atomic Absorption Spectroscopy (AAS), and Transmission Electron Microscopy (TEM).  The photocatalytic performances of these materials were evaluated by monitoring the amt. of hydrogen evolved from water under visible light irradn.  The amt. of hydrogen evolved from MBA stabilized CdS-TNT composite materials were higher compared to MBA stabilized CdS, suggesting an important role of the TNT support.  The enhanced photocatalytic hydrogen generation in MBA stabilized CdS-TNT composite materials compared to CdS-MBA might have arisen from the effective charge sepn. in CdS-TNT composite materials, which was further supported by PL studies. [on SciFinder(R)]},
	keywords = {cadmium sulfide trititanate composite visible light photocatalytic water splitting},
	isbn = {0360-3199},
	author = {Parayil, Sreenivasan Koliyat and Baltrusaitis, Jonas and Wu, Chia-Ming and Koodali, Ranjit T.}
}
@article {119,
	title = {Synthesis and properties of polyamide-Ag2S composite based solar energy absorber surfaces.},
	journal = {Applied Surface Science},
	volume = {282},
	year = {2013},
	note = {CAPLUS AN 2013:1064916(Journal; Online Computer File)},
	pages = {552 - 560},
	publisher = {Elsevier B.V.},
	abstract = {Ag2S, an efficient solar light absorber, was synthesized using a modified chem. bath deposition (CBD) method and polyamide 6 (PA) as a host material via soln. phase reaction between AgNO3 and Na2S2O3.  XRD data showed a single, α-Ag2S (acanthite), cryst. phase present while surface and bulk chem. analyses, performed using XPS and EDS spectroscopies, showed 2:1 Ag:S ratio.  Direct and indirect bandgaps obtained from Tauc plots were 1.3 and 2.3 eV, resp.  Detailed surface chem. anal. showed 3 distinct S species with majority component due to the Ag2S chem. bonds and minority components due to 2 types of O-S bonds.  Cond. of the resulting composite material was shown to change with the reaction time thus enabling to obtain controlled cond. composite material.  The synthesis method presented is based on the low soly. of Ag2S and is potentially green, no byproduct producing, as all Ag2S nucleated outside the host material can be recycled into the process via dissolving it in HNO3. [on SciFinder(R)]},
	keywords = {polyamide silver sulfide composite solar energy absorber surface},
	isbn = {0169-4332},
	author = {Krylova, Valentina and Baltrusaitis, Jonas.}
}
@article {120,
	title = {Synthesis and surface properties of polyamide-CuxSe composite thin films.},
	journal = {Applied Surface Science},
	volume = {283},
	year = {2013},
	note = {CAPLUS AN 2013:1177435(Journal; Online Computer File)},
	pages = {360 - 366},
	publisher = {Elsevier B.V.},
	abstract = {A study of copper selenide (CuxSe) thin film deposition on PA 6 polymer surface via adsorption/diffusion method and the resulting surface properties is presented.  A two-stage process used to deposit these thin films involves (a) selenization in 0.1 M K2SeS2O6 at pH 2.15 and 60{\textdegree}C followed by (b) treatment with 0.34 M Cu(II) and 0.06 M Cu(I) salt soln. at 80{\textdegree}C.  Resulting chem. and phys. properties of CuxSe films were investigated using XRD, XPS, SEM, and sheet resistivity measurements.  XRD data showed a complex mixt. of CuxSe phases with peaks due to the elemental Se present at longer exposures.  Thin film bulk elemental compn. varied with the exposure time whereas XPS anal. showed the surface to be slightly copper enriched.  Addnl., mostly Cu-Se bonds were obsd. on the surface with minor oxidn. products.  SEM cross-sectional anal. showed distinct CuxSe film formation on PA 6 surface with thickness of \~{}1-5 μm.  A sheet resistance of 150 {\textpm} 10 Ω/☐ was achieved after 120 min of selenization for all samples and remained const. after longer exposures. [on SciFinder(R)]},
	keywords = {copper selenide film deposition polyamide surface property},
	isbn = {0169-4332},
	author = {Ivanauskas, Remigijus and Baltrusaitis, Jonas.}
}
@article {121,
	title = {Synthesis-dependent oxidation state of platinum on TiO2 and their influences on the solar simulated photocatalytic hydrogen production from water.},
	journal = {Journal of Physical Chemistry C},
	volume = {117},
	year = {2013},
	note = {CAPLUS AN 2013:1198819(Journal; Online Computer File)},
	pages = {16850 - 16862},
	publisher = {American Chemical Society},
	abstract = {Platinized TiO2 photocatalysts of different compns. of Pt0 and PtO2 were prepd. by modifying the synthesis procedures.  The physicochem. properties of the composite materials were characterized by XPS and high-resoln. transmission electron microscopy.  Energy dispersive X-ray spectroscopy measurements confirmed the presence of Pt species existing as PtO2 and/or mixts. of Pt0 and PtO2.  The composite material, Pt-TiO2-2\%H, contained a high amt. of metallic Pt0 and PtO2 in close proximity with TiO2 that promoted an enhanced photocatalytic hydrogen evolution activity under simulated solar light irradn.  Although Pt-TiO2-2\%C and Pt-TiO2-2\%T consisted of similar compns. of PtO2, these oxidized platinum species seem to appear further apart from TiO2 in Pt-TiO2-2\%C than Pt-TiO2-2\%T.  This caused dramatic variation in their optical behaviors such as strong fluorescence quenching and lower photocatalytic hydrogen evolution activity in the former photocatalyst.  A photocatalyst prepd. by the conventional photodeposition method was also prepd., characterized, and its photocatalytic activity assessed.  This work provides an opportunity to understand the role of PtO2 for photocatalytic prodn. of hydrogen from platinized TiO2 composites and the importance of heterojunctions in such photocatalysts for solar energy conversion. [on SciFinder(R)]},
	keywords = {photocatalytic hydrogen prodn platinum oxidn state titania},
	isbn = {1932-7447},
	author = {Parayil, Sreenivasan Koliyat and Kibombo, Harrison S. and Wu, Chia-Ming and Peng, Rui and Kindle, Trevor and Mishra, Srujan and Ahrenkiel, S. Phil and Baltrusaitis, Jonas and Dimitrijevic, Nada M. and Rajh, Tijana and Koodali, Ranjit T.}
}
@article {122,
	title = {Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis.},
	journal = {Langmuir},
	volume = {29},
	year = {2013},
	note = {CAPLUS AN 2012:1776190(Journal; Online Computer File)},
	pages = {480 - 492},
	publisher = {American Chemical Society},
	abstract = {Mixed metal sulfides contg. combinations of W, Fe, Mo, Ni, and Ru were synthesized and screened for activity and stability for the H evolution reaction (HER) in aq. HBr.  Co- and Ni-substituted RuS2 were identified as potentially active HER electrocatalysts by high-throughput screening (HTS), and the specific compns. Co0.4Ru0.6S2 and Ni0.6Ru0.4S2 were identified by optimization.  H evolution activity of Co0.4Ru0.6S2 in HBr is greater than RuS2 or CoS2 and comparable to Pt and com. RhxSy.  Structural and morphol. characterizations of the Co-substituted RuS2 suggest that the nanoparticulate solids are a homogeneous solid soln. with a pyrite crystal structure.  No phase sepn. is detected for Co substitutions <30\% by x-ray diffraction.  In 0.5 M HBr electrolyte, the Co-Ru electrode material synthesized with 30\% Co rapidly lost \~{}34\% of the initial loading of Co; thereafter, it was obsd. to exhibit stable activity for HER with no further loss of Co.  D. functional theory calcns. indicate that the S22- sites are the most important for HER and the presence of Co influences the S22- sites such that the H binding energy at sufficiently high H coverage is decreased compared to Ru sulfide.  Although showing high HER activity in a flow cell, the reverse reaction of H oxidn. is slow on the RuS2 catalysts tested when compared to Pt and Rh sulfide, leaving Rh sulfide as the only suitable tested material for a regenerative HBr cell due its stability compared to Pt. [on SciFinder(R)]},
	keywords = {transition metal sulfide hydrogen catalyst hydrobromic acid electrolysis},
	isbn = {0743-7463},
	author = {Ivanovskaya, Anna and Singh, Nirala and Liu, Ru-Fen and Kreutzer, Haley and Baltrusaitis, Jonas and Van Nguyen, Trung and Metiu, Horia and McFarland, Eric.}
}
@article {123,
	title = {Tribological properties of the two-step thermally deposited chromium films.},
	journal = {Applied Surface Science},
	volume = {283},
	year = {2013},
	note = {CAPLUS AN 2013:1219922(Journal; Online Computer File)},
	pages = {1089 - 1095},
	publisher = {Elsevier B.V.},
	abstract = {Chromium thin films were prepd. on glass substrate via a two-step thermal deposition and their structural, chem. and tribol. properties were detd.  The x-ray diffraction pattern of the two-step thermally deposited chromium film showed the presence of well-defined body-centered cubic Cr metal structure with a prominent (1 1 0) plane.  XPS depth profile showed a presence of \~{}2\% of oxygen in the film within the first five etching cycles showing oxygen incorporation.  Dry sliding wear expts. at temps. ranging from 20 to 200{\textdegree} were conducted.  The thin films were worn with either 100Cr6 or 440C bearing balls using a ball-on-disk sliding configuration at a contact load of 1 N.  Friction coeff. and coating wear rates were measured and wear tracks were analyzed using optical microscopy, SEM and energy-dispersive x-ray spectroscopy.  Thin films exhibited low wear rates at room temp. and an unexpected wear behavior at the elevated temps.  Only the first half of the metallic chromium film was worn out after \~{}18 m of dry sliding at room temp., whereas increase in temp. resulted in a decrease in wear resistance of the film. [on SciFinder(R)]},
	keywords = {chromium film thermal deposition photomask friction wear},
	isbn = {0169-4332},
	author = {Lazauskas, A. and Baltrusaitis, J. and Grigaliunas, V. and Baltusnikas, A. and Abakeviciene, B. and Polcar, T.}
}
@article {124,
	title = {Ultra-stable CdS incorporated Ti-MCM-48 mesoporous materials for efficient photocatalytic decomposition of water under visible light illumination.},
	journal = {Chemical Communications (Cambridge, United Kingdom)},
	volume = {49},
	year = {2013},
	note = {CAPLUS AN 2013:436061(Journal; Online Computer File)},
	pages = {3221 - 3223},
	publisher = {Royal Society of Chemistry},
	abstract = {A RuO2-CdS-Ti-MCM-48 mesoporous material has been prepd.  This composite material generates hydrogen and oxygen in the absence of a Pt co-catalyst and most importantly photocorrosion of CdS is completely eliminated. [on SciFinder(R)]},
	keywords = {ruthenium oxide cadmium sulfide mesoporous titanium silicate water photodecompn, water visible light photocatalytic decompn cadmium sulfide mesoporous silica},
	isbn = {1359-7345},
	author = {Peng, Rui and Wu, Chia-Ming and Baltrusaitis, Jonas and Dimitrijevic, Nada M. and Rajh, Tijana and Koodali, Ranjit T.}
}
@article {125,
	title = {Water droplet behavior on superhydrophobic SiO2 nanocomposite films during icing/deicing cycles.},
	journal = {Materials Characterization},
	volume = {82},
	year = {2013},
	note = {CAPLUS AN 2013:1032641(Journal; Online Computer File)},
	pages = {9 - 16},
	publisher = {Elsevier},
	abstract = {This work investigates water droplet behavior on superhydrophobic (water contact angle value of 162 {\textpm} 1{\textdegree}) SiO2 nanocomposite films subjected to repetitive icing/deicing treatments, changes in SiO2 nanocomposite film surface morphol. and their non-wetting characteristics.  During the expt., water droplets on SiO2 nanocomposite film surface are subjected to a series of icing and deicing cycles in a humid (\~{} 70\% relative humidity) atm. and the resulting morphol. changes are monitored and characterized using at. force microscopy (AFM) and contact angle measurements.  The formation of the frozen or thawed water droplet, with no further shape change, on superhydrophobic SiO2 nanocomposite film, is obtained faster within each cycle as the no. of the icing/deicing cycles increases.  After 10 icing and deicing cycles, the superhydrophobic SiO2 nanocomposite film had a water contact angle value of 146 {\textpm} 2{\textdegree} which is effectively non-superhydrophobic.  AFM anal. showed that the superhydrophobic SiO2 nanocomposite film surface area under the water droplet undergoes gradual mech. damage during the repetitive icing/deicing cycles.  We propose a possible mechanism of the morphol. changes to the film surface that take place during the consecutive icing/deicing expts. [on SciFinder(R)]},
	keywords = {silica film interface hydrophobicity water droplet icing deicing},
	isbn = {1044-5803},
	author = {Lazauskas, A. and Guobiene, A. and Prosycevas, I. and Baltrusaitis, V. and Grigaliunas, V. and Narmontas, P. and Baltrusaitis, J.}
}
@article {126,
	title = {Aflaquinolones A-G: Secondary metabolites from marine and fungicolous isolates of Aspergillus spp.},
	journal = {Journal of Natural Products},
	volume = {75},
	year = {2012},
	note = {CAPLUS AN 2012:163288(Journal; Online Computer File)},
	pages = {464 - 472},
	publisher = {American Chemical Society-American Society of Pharmacognosy},
	abstract = {Seven new compds. (aflaquinolones A-G; 1-7) contg. dihydroquinolin-2-one and terpenoid units have been isolated from two different fungal sources.  Two of these metabolites (1 and 2) were obtained from a Hawaiian fungicolous isolate of Aspergillus sp. (section Flavipedes; MYC-2048 = NRRL 58570), while the others were obtained from a marine Aspergillus isolate (SF-5044) collected in Korea.  The structures of these compds. were detd. mainly by anal. of NMR and MS data.  Relative and abs. configurations were assigned on the basis of NOESY data and 1H NMR J-values, comparison of calcd. and exptl. ECD spectra, and anal. of a Mosher{\textquoteright}s ester deriv. of 2.  Several known compds., including alantrypinone, aspochalasins I and J, Me 3,4,5-trimethoxy-2((2-((3-pyridinylcarbonyl)amino)benzoyl)amino)benzoate, and trans-dehydrocurvularin were also encountered in the ext. of the Hawaiian isolate. [on SciFinder(R)]},
	keywords = {aflaquinolone Aspergillus},
	isbn = {0163-3864},
	author = {Neff, Scott A. and Lee, Sang Un and Asami, Yukihiro and Ahn, Jong Seog and Oh, Hyuncheol and Baltrusaitis, Jonas and Gloer, James B. and Wicklow, Donald T.}
}
@article {127,
	title = {Atomic force microscopy and X-ray photoelectron spectroscopy evaluation of adhesion and nanostructure of thin Cr films.},
	journal = {Thin Solid Films},
	volume = {520},
	year = {2012},
	note = {CAPLUS AN 2012:853984(Journal; Online Computer File)},
	pages = {6328 - 6333},
	publisher = {Elsevier B.V.},
	abstract = {Cr thin films were deposited on float glass using electron beam (e-beam) phys. vapor deposition and radio frequency (RF) magnetron sputtering techniques.  Surface morphol. of these Cr films was studied using AFM.  The e-beam deposited Cr films consisted of isolated surface mounds while in RF sputtered samples, these mounds combined to form larger islands.  However surface adhesive properties were obsd. for e-beam deposited films, as detd. from AFM force-distance curves, presumably due to the nanostructural differences.  Similar amts. of adsorbed atm. carbonaceous contaminants and water vapor were detected on samples deposited using both methods with e-beam deposited samples having addnl. carbide species, as detd. by XPS data.  The dominant crystallog. plane in both e-beam deposited and RF sputtered Cr thin films was (110) of body-centered cubic Cr metal structure as detd. from x-ray diffraction data.  Weak (211) reflection was also obsd. in RF sputtered samples and was attributed to a different thin Cr film condensation and growth mechanism which resulted in nanostructural differences between films deposited using two different methods. [on SciFinder(R)]},
	keywords = {chromium nanofilm deposition surface compn roughness},
	isbn = {0040-6090},
	author = {Lazauskas, A. and Grigaliunas, V. and Guobiene, A. and Andrulevicius, M. and Baltrusaitis, J.}
}
@article {128,
	title = {Atomic Force Microscopy and X-ray Photoelectron Spectroscopy Study of NO2 Reactions on CaCO3 (101̅4) Surfaces in Humid Environments.},
	journal = {Journal of Physical Chemistry A},
	volume = {116},
	year = {2012},
	note = {CAPLUS AN 2012:1112006(Journal; Online Computer File)},
	pages = {9001 - 9009},
	publisher = {American Chemical Society},
	abstract = {A.c. (a.c.) mode at. force microscopy (AFM) combined with phase imaging and XPS were used to study the effect of nitrogen dioxide (NO2) adsorption on calcium carbonate (CaCO3) (101̅4) surfaces at 296 K in the presence of relative humidity (RH).  At 70\% RH, CaCO3 (101̅4) surfaces undergo rapid formation of a metastable amorphous calcium carbonate layer, which in turn serves as a substrate for recrystn. of a nonhydrated calcite phase, presumably vaterite.  The adsorption of nitrogen dioxide changes the surface properties of CaCO3 (101̅4) and the mechanism for formation of new phases.  In particular, the 1st calcite nucleation layer serves as a source of material for further island growth; when it is depleted, there is no change in total vol. of nitrocalcite, Ca(NO3)2, particles formed whereas the total no. of particles decreases.  These particles are mobile and coalesce.  Phase imaging combined with force curve measurements reveals areas of inhomogeneous energy dissipation during the process of water adsorption in relative humidity expts., as well as during nitrocalcite particle formation.  Potential origins of the different energy dissipation modes within the sample are discussed.  Finally, XPS anal. confirms that NO2 adsorbs on CaCO3 (101̅4) as nitrate (NO3-) regardless of environmental conditions or the pretreatment of the calcite surface at different relative humidity. [on SciFinder(R)]},
	keywords = {atomic force microscopy XPS nitrogen oxide adsorption calcium carbonate},
	isbn = {1089-5639},
	author = {Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {129,
	title = {Coal fly ash as iron source in atmospheric dust.},
	journal = {Environmental Science \& Technology},
	volume = {46},
	year = {2012},
	note = {CAPLUS AN 2012:79841(Journal; Online Computer File)},
	month = {2012///},
	pages = {2112 - 2120},
	publisher = {American Chemical Society},
	abstract = {Anthropogenic coal fly ash (FA) aerosol may represent a significant source of bioavailable iron in the open ocean.  Few measurements have been made that compare the soly. of atm. iron from anthropogenic aerosols and other sources.  We report here an investigation of iron dissoln. for three FA samples in acidic aq. solns. and compare the solubilities with that of Arizona test dust (AZTD), a ref. material for mineral dust.  The effects of pH, simulated cloud processing, and solar radiation on iron soly. have been explored.  Similar to previously reported results on mineral dust, iron in aluminosilicate phases provides the predominant component of dissolved iron.  Iron soly. of FA is substantially higher than of the cryst. minerals comprising AZTD.  Simulated atm. processing elevates iron soly. due to significant changes in the morphol. of aluminosilicate glass, a dominant material in FA particles.  Iron is continuously released into the aq. soln. as FA particles break up into smaller fragments.  These results suggest that the assessment of dissolved atm. iron deposition fluxes and their effect on the biogeochem. at the ocean surface should be constrained by the source, environmental pH, iron speciation, and solar radiation. [on SciFinder(R)]},
	keywords = {coal fly ash iron atm dust qual analysis aluminosilicate},
	isbn = {0013-936X},
	author = {Chen, Haihan and Laskin, Alexander and Baltrusaitis, Jonas and Gorski, Christopher A. and Scherer, Michelle M. and Grassian, Vicki H.}
}
@article {130,
	title = {Computational Studies of CO2 Activation via Photochemical Reactions with Reduced Sulfur Compounds.},
	journal = {Journal of Physical Chemistry A},
	volume = {116},
	year = {2012},
	note = {CAPLUS AN 2012:1254917(Journal; Online Computer File)},
	month = {2012///},
	pages = {9331 - 9339},
	publisher = {American Chemical Society},
	abstract = {Reactions between CO2 and reduced sulfur compds. (RSC), H2S and CH3SH, were investigated using ground and excited state d. functional theory (DFT) and coupled cluster (CC) methods to explore possible RSC oxidn. mechanisms and CO2 activation mechanisms in the atm. environment.  Ground electronic state calcns. at the CR-CC(2,3)/6-311+G(2df,2p)//CAM-B3LYP/6-311+G(2df,2p) level show proton transfer as a limiting step in the redn. of CO2 with activation energies of 49.64 and 47.70 kcal/mol, resp., for H2S and CH3SH.  On the first excited state surface, CR-EOMCC(2,3)/6-311+G(2df,2p)//CAM-B3LYP/6-311+G(2df,2p) calcns. reveal that energies of <250 nm are needed to form H2S-CO2 and CH3SH-CO2 complexes allowing facile hydrogen atom transfer.  Once excited, all reaction intermediates and transition states are downhill energetically showing either C-H or C-S bond formation in the excited state whereas only C-S bond formation was found in the ground state.  Environmental implications of these data are discussed with a focus on tropospheric reactions between CO2 and RSC, as well as potential for carbon sequestration using photocatalysis. [on SciFinder(R)]},
	keywords = {activation, carbon dioxide, photochem reaction, sulfur compd},
	isbn = {1089-5639},
	author = {Baltrusaitis, Jonas and Patterson, Eric V. and Hatch, Courtney.}
}
@article {131,
	title = {Dissolution of Hematite Nanoparticle Aggregates: Influence of Primary Particle Size, Dissolution Mechanism, and Solution pH.},
	journal = {Langmuir},
	volume = {28},
	year = {2012},
	note = {CAPLUS AN 2012:1538096(Journal; Online Computer File)},
	month = {2012///},
	pages = {15797 - 15808},
	publisher = {American Chemical Society},
	abstract = {The size-dependent dissoln. of nanoscale hematite (8 and 40 nm α-Fe2O3) was examd. across a broad range of pH (pH 1-7) and mechanisms including proton- and ligand- (oxalate-) promoted dissoln. and dark (ascorbic acid) and photochem. (oxalate) reductive dissoln.  Empirical relations between dissoln. rate and pH revealed that suspensions of 8 nm hematite exhibit between 3.3- and 10-fold greater reactivity per unit mass than suspensions of 40 nm particles across all dissoln. modes and pH, including circumneutral.  Complementary suspension characterization (i.e., sedimentation studies and dynamic light scattering) indicated extensive aggregation, with steady-state aggregate sizes increasing with pH but being roughly equiv. for both primary particles.  Thus, while the reactivity difference between 8 and 40 nm suspensions is generally greater than expected from sp. surface areas measured via N2-BET or estd. from primary particle geometry, loss of reactive surface area during aggregation limits the certainty of such comparisons.  Probably the relative reactivity of 8 and 40 nm hematite suspensions is best explained by differences in the fraction of aggregate surface area that is reactive.  This scenario is consistent with TEM images revealing uniform dissoln. of aggregated 8 nm particles, whereas 40 nm particles within aggregates undergo preferential etching at edges and structural defects.  Ultimately, comparably sized hematite aggregates can exhibit vastly different dissoln. activity depending on the nature of the primary nanoparticles from which they are constructed, a result with wide-ranging implications for iron redox cycling. [on SciFinder(R)]},
	keywords = {dissoln hematite nanoparticle aggregate particle size mechanism pH effect},
	isbn = {0743-7463},
	author = {Lanzl, Caylyn A. and Baltrusaitis, Jonas and Cwiertny, David M.}
}
@article {132,
	title = {Electronic Properties and Reactivity of Simulated Fe3+ and Cr3+ Substituted α-Al2O3 (0001) Surface.},
	journal = {Journal of Physical Chemistry C},
	volume = {116},
	year = {2012},
	note = {CAPLUS AN 2012:1152034(Journal; Online Computer File)},
	month = {2012///},
	pages = {18847 - 18856},
	publisher = {American Chemical Society},
	abstract = {Metal oxide-based minerals naturally contain transition metal impurities isomorphically substituted into the structure that can alter the structural and electronic properties as well as the reactivity of these metal oxides.  Natural α-Al2O3 (corundum) can contain up to 9.17\% (wt./wt.) Fe2O3 and 1.81\% (wt./wt.) of Cr2O3.  Here the authors report on changes in the structural and electronic properties of undoped and doped α-Al2O3 (0001) surfaces using periodic d. functional theory (DFT) methods with spin unrestricted B3LYP functional and a local at. basis set.  Both structural and electronic properties are altered upon doping.  Implications for doping effects on photochem. processes are discussed.  As metal oxides are major components of the environment, including atm. mineral aerosol, DFT was also used to study the effect of transition metal impurities on gas/surface interactions of a model acidic atm. gas mol., CO.  The theor. results indicated that the presence of Fe3+ and Cr3+ impurities substituted on the outer layer of natural corundum surfaces reduces the propensity toward CO adsorption relative to the undoped surface.  However, CO-surface interactions resemble that of bulk α-Al2O3 when the impurity is substituted below the 1st surface layer.  The presence and location of the mineral dopant significantly altered the structural and electronic properties and gas/surface interactions studied here. [on SciFinder(R)]},
	keywords = {carbon monoxide adsorption iron chromium substituted alumina surface, electronic property reactivity iron chromium substituted alumina surface},
	isbn = {1932-7447},
	author = {Baltrusaitis, Jonas and Hatch, Courtney and Orlando, Roberto.}
}
@article {133,
	title = {Enhanced photocatalytic water splitting activity of carbon-modified TiO2 composite materials synthesized by a green synthetic approach.},
	journal = {International Journal of Hydrogen Energy},
	volume = {37},
	year = {2012},
	note = {CAPLUS AN 2012:405985(Journal; Online Computer File)},
	month = {2012///},
	pages = {8257 - 8267},
	publisher = {Elsevier Ltd.},
	abstract = {We report a green and facile approach for the prepn. of carbon-modified (C-modified) TiO2 composite materials by hydrothermal synthesis followed by pyrolytic treatment.  The resultant materials were characterized by powder X-ray diffraction (XRD), nitrogen physisorption studies, Raman spectroscopy, XPS, diffuse reflectance spectroscopy (DRS), photoluminescence (PL) spectroscopy, and transmission electron microscopy (TEM).  The photocatalytic performances of these materials were evaluated by calcg. the amt. of hydrogen evolved from the decompn. of water under solar simulated irradn. conditions.  An improvement was achieved from no H2 evolution at all with the bare TiO2, to an evolution of 0.21 mL g-1 h-1 from a composite material modified with an optimum carbon loading of 3.62\%.  These results suggested that the interaction of carbon with predominantly rutile form of TiO2 can promote shallow trapping of photogenerated electrons in the oxygen vacancies.  This phenomenon consequently enhances the photocatalytic activity by minimizing charge carrier recombination, a characteristic demonstrated by fluorescence quenching of the TiO2 emission. [on SciFinder(R)]},
	keywords = {carbon titanium oxide composite photocatalytic water splitting hydrothermal method},
	isbn = {0360-3199},
	author = {Parayil, Sreenivasan Koliyat and Kibombo, Harrison S. and Wu, Chia-Ming and Peng, Rui and Baltrusaitis, Jonas and Koodali, Ranjit T.}
}
@article {134,
	title = {Formation of Iron(III) (Hydr)oxides on Polyaspartate- and Alginate-Coated Substrates: Effects of Coating Hydrophilicity and Functional Group.},
	journal = {Environmental Science \& Technology},
	volume = {46},
	year = {2012},
	note = {CAPLUS AN 2012:1673956(Journal; Online Computer File)},
	month = {2012///},
	pages = {13167 - 13175},
	publisher = {American Chemical Society},
	abstract = {To better understand the transport of contaminants in aq. environments, we need more accurate information about heterogeneous and homogeneous nucleation of Fe(III) hydroxide nanoparticles in the presence of orgs.  We combined synchrotron-based grazing incidence small-angle x-ray scattering (GISAXS) and SAXS and other nanoparticle and substrate surface characterization techniques to observe Fe(III) (hydr)oxide [10-4M Fe(NO3)3 in 10mM NaNO3] pptn. on quartz and on polyaspartate- and alginate-coated glass substrates and in soln. (pH =3.7{\textpm}0.2).  Polyaspartate was detd. to be the most neg. charged substrate and quartz the least; however, after 2 h, total nanoparticle vol. calcns.-from GISAXS-indicate that pos. charged pptn. on quartz is twice that of alginate and 10 times higher than on polyaspartate, implying that electrostatics do not govern Fe(III) (hydr)oxide nucleation.  On the basis of contact angle measurements and surface characterization, we concluded that the degree of hydrophilicity may control heterogeneous nucleation on quartz and org.-coated substrates.  The arrangement of functional groups at the substrate surface (-OH and -COOH) may also contribute.  These results provide new information for elucidating the effects of polymeric org. substrate coatings on the size, vol., and location of nucleating Fe hydroxides, which will help predict nanoparticle interactions in natural and engineered systems. [on SciFinder(R)]},
	keywords = {formation iron hydroxide polyaspartate alginate coated substrate hydrophilicity, iron hydroxide polyaspartate alginate coated hydrophilicity functional group},
	isbn = {0013-936X},
	author = {Ray, Jessica R. and Lee, Byeongdu and Baltrusaitis, Jonas and Jun, Young-Shin.}
}
@article {135,
	title = {Heterogeneous Atmospheric Chemistry of Lead Oxide Particles with Nitrogen Dioxide Increases Lead Solubility: Environmental and Health Implications.},
	journal = {Environmental Science \& Technology},
	volume = {46},
	year = {2012},
	note = {CAPLUS AN 2012:1499142(Journal; Online Computer File)},
	month = {2012///},
	pages = {12806 - 12813},
	publisher = {American Chemical Society},
	abstract = {The heterogeneous chem. of NO2 with Pb-contg. particles was examd. to better understand Pb metal mobilization in the environment.  In particular, PbO particles, a model Pb-contg. compd. due to its widespread presence as a Pb paint and as naturally-occurring mineral (massicot, and litharge) component, were exposed to NO2 at different relative humidities.  XPS showed that upon exposure to NO2, the PbO particle surface reacts forming adsorbed NO3- and Pb(NO3)2 thin films; the extent of NO3- formation was relatively humidity dependent.  NO2-exposed PbO particles had an increased amt. of Pb which dissolved in aq. suspensions at circumneutral pH vs. unexposed particles.  Results identified the potential importance and impact that heterogeneous chem. with trace atm. gases can have on increasing soly. and hence the mobilization of heavy metals such as Pb in the environment.  Results also showed that surface intermediates which form, such as adsorbed Pb(NO3)2, can yield higher Pb concns. in water, including drinking, estuary, and lake water, and groundwater. [on SciFinder(R)]},
	keywords = {air water soil pollution lead following nitrogen dioxide reaction, environmental health implication lead oxide reaction nitrogen dioxide, lead oxide particle heterogeneous atm chem, nitrogen dioxide reaction lead oxide particle increased lead soly},
	isbn = {0013-936X},
	author = {Baltrusaitis, Jonas and Chen, Haihan and Rubasinghege, Gayan and Grassian, Vicki H.}
}
@article {136,
	title = {Influenza A Viral Replication Is Blocked by Inhibition of the Inositol-requiring Enzyme 1 (IRE1) Stress Pathway.},
	journal = {Journal of Biological Chemistry},
	volume = {287},
	year = {2012},
	note = {CAPLUS AN 2012:212308(Journal; Online Computer File)},
	month = {2012///},
	pages = {4679 - 4689},
	publisher = {American Society for Biochemistry and Molecular Biology},
	abstract = {Known therapies for influenza A virus infection are complicated by the frequent emergence of resistance.  A therapeutic strategy that may escape viral resistance is targeting host cellular mechanisms involved in viral replication and pathogenesis.  The endoplasmic reticulum (ER) stress response, also known as the unfolded protein response (UPR), is a primitive, evolutionary conserved mol. signaling cascade that has been implicated in multiple biol. phenomena including innate immunity and the pathogenesis of certain viral infections.  We investigated the effect of influenza A viral infection on ER stress pathways in lung epithelial cells.  Influenza A virus induced ER stress in a pathway-specific manner.  We showed that the virus activates the IRE1 pathway with little or no concomitant activation of the PERK and the ATF6 pathways.  When we examd. the effects of modulating the ER stress response on the virus, we found that the mol. chaperone tauroursodeoxycholic acid (TUDCA) significantly inhibits influenza A viral replication.  In addn., a specific inhibitor of the IRE1 pathway also blocked viral replication.  Our findings constitute the first evidence that ER stress plays a role in the pathogenesis of influenza A viral infection.  Decreasing viral replication by modulating the host ER stress response is a novel strategy that has important therapeutic implications. [on SciFinder(R)]},
	keywords = {influenza viral replication IRE1 stress pathway inhibition},
	isbn = {0021-9258},
	author = {Hassan, Ihab H. and Zhang, Michael S. and Powers, Linda S. and Shao, Jian Q. and Baltrusaitis, Jonas and Rutkowski, D. Thomas and Legge, Kevin and Monick, Martha M.}
}
@article {137,
	title = {Optimal experimental conditions for hydrogen production using low voltage electrooxidation of organic wastewater feedstock.},
	journal = {International Journal of Hydrogen Energy},
	volume = {37},
	year = {2012},
	note = {CAPLUS AN 2012:1076013(Journal; Online Computer File)},
	month = {2012///},
	pages = {13304 - 13313},
	publisher = {Elsevier Ltd.},
	abstract = {The dependence of electrooxidn. on exptl. conditions of org. mols. was investigated to optimize the prodn. of hydrogen from potential wastewater sources using low voltage sources (\~{}1 V dc).  Electrooxidn. on platinum, gold, and stainless steel anodes with hydrogen prodn. on the cathode was investigated using several different org. reductants, including: methanol, ethanol, glycerol, isopropanol, propanal, glycerol, glucose, sucrose, citric acid, and propionic acid.  The electrolyte pH was varied from 2 to 12 in a 1 M Na2SO4 supporting soln.  At 1 V, glycerol, citric acid, ethanol and methanol were found to yield the highest currents at low pH values (pH 2 and 7) on platinum electrode, glucose on gold electrode at pH 12 in 1 M Na2SO4 soln. produced the highest total c.d. at 1 V with measured Faradaic efficiency for 1 M glucose of 70\%.  The hydrogen energy prodn. efficiency was 86\%.  Practical limitations of glucose oxidn. at optimum exptl. conditions are discussed. [on SciFinder(R)]},
	keywords = {org wastewater feedstock electrooxidn voltage hydrogen prodn condition},
	isbn = {0360-3199},
	author = {Cheng, Wei and Singh, Nirala and Macia-Agullo, Juan Antonio and Stucky, Galen D. and McFarland, Eric W. and Baltrusaitis, Jonas.}
}
@article {138,
	title = {Organic nanocrystals of [2.2]paracyclophanes achieved via sonochemistry: enhanced and red-shifted emission involving edge-to-face chromophores.},
	journal = {CrystEngComm},
	volume = {14},
	year = {2012},
	note = {CAPLUS AN 2012:1517546(Journal; Online Computer File)},
	month = {2012///},
	pages = {7567 - 7571},
	publisher = {Royal Society of Chemistry},
	abstract = {We have prepd. org. nanocrystals of [2.2]paracyclophane (pCp) and tetrakis(4-pyridylcyclobutyl)[2.2]paracyclophane (tpcp) via sonochem.  Both nanocrystals exhibit an enhanced fluorescence compared to dil. soln., while the tpcp nanocrystals also demonstrate a red-shifted fluorescence. [on SciFinder(R)]},
	keywords = {org nanocrystal paracyclophane via sonochem},
	isbn = {1466-8033},
	author = {Elacqua, Elizabeth and Jurgens, Paul T. and Baltrusaitis, Jonas and MacGillivray, Leonard R.}
}
@article {139,
	title = {Organic Nanocrystals of the Resorcinarene Hexamer via Sonochemistry: Evidence of Reversed Crystal Growth Involving Hollow Morphologies.},
	journal = {Journal of the American Chemical Society},
	volume = {134},
	year = {2012},
	note = {CAPLUS AN 2012:219467(Journal; Online Computer File)},
	month = {2012///},
	pages = {6900 - 6903},
	publisher = {American Chemical Society},
	abstract = {Nano- and micrometer-scale crystals of a self-assembled hexamer were synthesized via sonochem.  The application of ultrasonic irradn. afforded hollow rhombic-dodecahedral crystals of the C-methylcalix[4]resorcinarene hexamer.  The formation of the hollow crystals is attributed to a reversed crystal growth mechanism heretofore described only in the synthesis of inorg.-based materials. [on SciFinder(R)]},
	keywords = {morphol resorcinarene hexamer nanocrystal sonochem reversed crystal growth, org nanocrystal resorcinarene hexamer sonochem reversed crystal growth},
	isbn = {0002-7863},
	author = {Sander, John R. G. and Bucar, Dejan-Kresimir and Baltrusaitis, Jonas and MacGillivray, Leonard R.}
}
@article {140,
	title = {Periodic DFT Study of Acidic Trace Atmospheric Gas Molecule Adsorption on Ca- and Fe-Doped MgO(001) Surface Basic Sites.},
	journal = {Journal of Physical Chemistry A},
	volume = {116},
	year = {2012},
	note = {CAPLUS AN 2012:993259(Journal; Online Computer File)},
	month = {2012///},
	pages = {7950 - 7958},
	publisher = {American Chemical Society},
	abstract = {The electronic properties of undoped and Ca- or Fe-doped MgO(001) surfaces, as well as their propensity toward atm. acidic gas (CO2, SO2, and NO2) uptake was investigated with an emphasis on gas adsorption on the basic MgO oxygen surface sites, Osurf, using periodic d. functional theory (DFT) calcns.  Adsorption energy calcns. show that MgO doping will provide stronger interactions of the adsorbate with the Osurf sites than the undoped MgO for a given adsorbate mol.  Charge transfer from the iron atom in Fe-doped MgO(001) to NO2 was shown to increase the binding interaction between adsorbate by an order of magnitude, when compared to that of undoped and Ca-doped MgO(001) surfaces.  Secondary binding interactions of adsorbate oxygen atoms were obsd. with surface magnesium sites at distances close to those of the Mg-O bond within the crystal.  These interactions may serve as a preliminary step for adsorption and facilitate further adsorbate transformations into other binding configurations.  Impacts on global atm. chem. are discussed as these adsorption phenomena can affect atm. gas budgets via altered partitioning and retention on mineral aerosol surfaces. [on SciFinder(R)]},
	keywords = {iron calcium doped magnesia atm gas adsorption DFT},
	isbn = {1089-5639},
	author = {Baltrusaitis, Jonas and Hatch, Courtney and Orlando, Roberto.}
}
@article {141,
	title = {Preservation of York Minster historic limestone by hydrophobic surface coatings.},
	journal = {Scientific Reports},
	volume = {2},
	year = {2012},
	note = {CAPLUS AN 2013:60154(Journal; Online Computer File)},
	month = {2012///},
	pages = {srep00880, 5 pp.},
	publisher = {Nature Publishing Group},
	abstract = {Magnesian limestone is a key construction component of many historic buildings that is under const. attack from environmental pollutants notably by oxides of sulfur via acid rain, particulate matter sulfate and gaseous SO2 emissions.  Hydrophobic surface coatings offer a potential route to protect existing stonework in cultural heritage sites, however, many available coatings act by blocking the stone microstructure, preventing it from {\textquoteright}breathing{\textquoteright} and promoting mold growth and salt efflorescence.  Here we report on a conformal surface modification method using self-assembled monolayers of naturally sourced free fatty acids combined with sub-monolayer fluorinated alkyl silanes to generate hydrophobic (HP) and super hydrophobic (SHP) coatings on calcite.  We demonstrate the efficacy of these HP and SHP surface coatings for increasing limestone resistance to sulfation and thus retarding gypsum formation under SO2/H2O and model acid rain environments.  SHP treatment of 19th century stone from York Minster suppresses sulfuric acid permeation. [on SciFinder(R)]},
	keywords = {archaeol limestone preservation surface coating},
	isbn = {2045-2322},
	author = {Walker, Rachel A. and Wilson, Karen and Lee, Adam F. and Woodford, Julia and Grassian, Vicki H. and Baltrusaitis, Jonas and Rubasinghege, Gayan and Cibin, Giannantonio and Dent, Andrew.}
}
@article {142,
	title = {Scaling down lateral dimensions of silicon nanopillars fabricated by reactive ion etching with Au/Cr self-assembled clusters as an etch mask.},
	journal = {Thin Solid Films},
	volume = {520},
	year = {2012},
	note = {CAPLUS AN 2012:110019(Journal; Online Computer File)},
	month = {2012///},
	pages = {2041 - 2045},
	publisher = {Elsevier B.V.},
	abstract = {Nanodot and nanopillar structures and precisely controlled reproducible fabrication thereof are of great interest in common nanoelectronic devices, including photonic crystals and surface plasmon resonance instruments.  In this work, fabrication process of the silicon nanopillar structures is described.  It includes self-organization of gold and chromium clusters at thickness close to that of one at. diam. to serve as etching masks followed by the reactive ion etching to form silicon nanopillars.  SEM and XPS were used to characterize self-organized gold and chromium clusters as well as the final silicon nanopillars.  This method was found to produce silicon nanopillars of sub-10 nm lateral dimensions and the diam.-to-height aspect ratio of up to 1:14. [on SciFinder(R)]},
	keywords = {silicon nanopillar reactive ion etching gold chromium cluster},
	isbn = {0040-6090},
	author = {Kaliasas, R. and Baltrusaitis, J. and Mikolajunas, M. and Jakucionis, L. and Virzonis, D.}
}
@article {143,
	title = {Scope of stereoselective Mn-mediated radical addition to chiral hydrazones and application in a formal synthesis of quinine.},
	journal = {Journal of Organic Chemistry},
	volume = {77},
	year = {2012},
	note = {CAPLUS AN 2012:213999(Journal; Online Computer File)},
	month = {2012///},
	pages = {3159 - 3180},
	publisher = {American Chemical Society},
	abstract = {Stereocontrolled Mn-mediated addn. of alkyl iodides to chiral N-acylhydrazones enables strategic C-C bond constructions at the stereogenic centers of chiral amines.  Applying this strategy to quinine suggested complementary synthetic approaches to construct C-C bonds attached at the nitrogen-bearing stereogenic center using multifunctional alkyl iodides, e.g, I, as radical precursors, or using multifunctional chiral N-acylhydrazones, e.g., II, as radical acceptors.  These were included among Mn-mediated radical addns. of various alkyl iodides to a range of chiral N-acylhydrazone radical acceptors, leading to the discovery that pyridine and alkene functionalities are incompatible.  In a revised strategy, these functionalities are avoided during the Mn-mediated radical addn. of I to chiral N-acylhydrazone II, which generated a key C-C bond with complete stereochem. control at the chiral amine carbon of quinine.  Subsequent elaboration included two sequential cyclizations to complete the azabicyclo[2.2.2]octane ring system.  Group selectivity between two 2-iodoethyl groups during the second cyclization favored an undesired azabicyclo[3.2.1]octane ring system, an outcome that was found to be consistent with transition state calcns. at the B3LYP/6-31G(d) level.  Group differentiation at an earlier stage enabled an alternative regioconvergent pathway; this furnished the desired azabicyclo[2.2.2]octane ring system and afforded quincorine, completing a formal synthesis of quinine. [on SciFinder(R)]},
	keywords = {alkyl iodide acylhydrazone radical additive cyclization manganese, azabicyclooctane ring system stereoselective prepn, manganese radical addn cyclization mediator, quincorine prepn intermediate quinine, quinine formal synthesis},
	isbn = {0022-3263},
	author = {Friestad, Gregory K. and Ji, An and Baltrusaitis, Jonas and Korapala, Chandra Sekhar and Qin, Jun.}
}
@article {146,
	title = {The Structure, Thermodynamics, and Solubility of Organic Crystals from Simulation with a Polarizable Force Field.},
	journal = {Journal of Chemical Theory and Computation},
	volume = {8},
	year = {2012},
	note = {CAPLUS AN 2012:553598(Journal; Online Computer File)},
	month = {2012///},
	pages = {1721 - 1736},
	publisher = {American Chemical Society},
	abstract = {An important unsolved problem in materials science is prediction of the thermodn. stability of org. crystals and their soly. from first principles.  Soly. can be defined as the satg. concn. of a mol. within a liq. solvent, where the phys. picture is of solvated mols. in equil. with their solid phase.  Despite the importance of soly. in detg. the oral bioavailability of pharmaceuticals, prediction tools are currently limited to quant. structure-property relationships that are fit to exptl. soly. measurements.  For the first time, we describe a consistent procedure for the prediction of the structure, thermodn. stability, and soly. of org. crystals from mol. dynamics simulations using the polarizable multipole AMOEBA force field.  Our approach is based on a thermodn. cycle that decomps. std. state soly. into the sum of solid-vapor sublimation and vapor-liq. solvation free energies ΔGsolubility{\textdegree} = ΔGsub{\textdegree} + ΔGsolv{\textdegree}, which are computed via the orthogonal space random walk (OSRW) sampling strategy.  Application to the n-alkylamides series from acetamide through octanamide was selected due to the dependence of their soly. on both amide hydrogen bonding and the hydrophobic effect, which are each fundamental to protein structure and soly.  On av., the calcd. abs. std. state soly. free energies are accurate to within 1.1 kcal/mol.  The exptl. trend of decreasing soly. as a function of n-alkylamide chain length is recapitulated by the increasing stability of the cryst. state and to a lesser degree by decreasing favorability of solvation (i.e., the hydrophobic effect).  Our results suggest that coupling the polarizable AMOEBA force field with an orthogonal space based free energy algorithm, as implemented in the program Force Field X, is a consistent procedure for predicting the structure, thermodn. stability, and soly. of org. crystals. [on SciFinder(R)]},
	keywords = {structure thermodn soly org crystal polarizable force field simulation},
	isbn = {1549-9618},
	author = {Schnieders, Michael J. and Baltrusaitis, Jonas and Shi, Yue and Chattree, Gaurav and Zheng, Lianqing and Yang, Wei and Ren, Pengyu.}
}
@article {144,
	title = {Surface Chemistry of α-FeOOH Nanorods and Microrods with Gas-Phase Nitric Acid and Water Vapor: Insights into the Role of Particle Size, Surface Structure, and Surface Hydroxyl Groups in the Adsorption and Reactivity of α-FeOOH with Atmospheric Gases.},
	journal = {Journal of Physical Chemistry C},
	volume = {116},
	year = {2012},
	note = {CAPLUS AN 2012:668168(Journal; Online Computer File)},
	month = {2012///},
	pages = {12566 - 12577},
	publisher = {American Chemical Society},
	abstract = {Heterogeneous interactions of H2O and HNO3 on goethite, α-FeOOH, a component of mineral dust aerosol, are studied with simultaneous QCM measurements and ATR-FTIR spectroscopy.  Lab. synthesized α-FeOOH of varying sizes (microrods and nanorods) when exposed to gas phase H2O and HNO3 results in the uptake of these gases.  This combined approach of QCM measurements and ATR-FTIR spectroscopy allows for both quantification of the amt. of uptake and spectroscopic data that provides information on speciation of adsorbed products.  In the case of H2O, both microrods and nanorods take up H2O and that the total amts. of H2O, when normalized to surface area, are similar.  However, for HNO3 uptake, the satn. coverage of total and irreversibly bound HNO3 on microrods is higher than that on nanorods, a size effect which is attributed to surface structural changes that occur as a function of particle size.  Also, a study of the behavior of HNO3 reacted with α-FeOOH in aq. media was carried out such as to better understand the effects of atm. processing upon dispersal within the hydrosphere. [on SciFinder(R)]},
	keywords = {iron hydroxide oxide nanorod microrod nitric acid water adsorption},
	isbn = {1932-7447},
	author = {Wijenayaka, Lahiru A. and Rubasinghege, Gayan and Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {145,
	title = {Synthesis, characterization, photocatalytic and antibacterial activities of Ag-doped ZnO powders modified with a diblock copolymer.},
	journal = {Powder Technology},
	volume = {219},
	year = {2012},
	note = {CAPLUS AN 2012:187661(Journal; Online Computer File)},
	month = {2012///},
	pages = {158 - 164},
	publisher = {Elsevier B.V.},
	abstract = {Nanocryst. Ag-doped ZnO powders were prepd. directly from an aq. soln. of zinc acetate dihydrate and AgNO3 in the presence of poly(ethylene oxide)-b-poly(propylene oxide), (PEO)19-b-(PPO)3, and NaOH at 70{\textdegree}.  The ZnO powders had an urchin-like shape without any dopant and this turned to an agglomerated rod-like structure when the Ag loading was <=0.5 mol\%.  If the Ag content was further increased, the urchin-like shape reappeared.  This may occur because the Ag aggregates at the grain boundary.  The finding that the diam. of the urchin-like shape decreases as the Ag concns. increase, can be explained by the pinning effect of the Ag particles as obstacles that inhibit the grain migration and grain growth.  An increase of the photocatalytic efficiency for degrading methylene blue increases with the Ag loading up to 1.0 mol\% while the best of the antibacterial activity against Staphylococcus aureus was found at 0.5-0.8 mol\% of Ag.  However, the different Ag loadings in the ZnO powders had no effect on the antibacterial effect on Escherichia coli. [on SciFinder(R)]},
	keywords = {silver doped zinc oxide photocatalyst prepn antibacterial activity},
	isbn = {0032-5910},
	author = {Amornpitoksuk, Pongsaton and Suwanboon, Sumetha and Sangkanu, Suthinee and Sukhoom, Ampaitip and Muensit, Nantakan and Baltrusaitis, Jonas.}
}
@article {147,
	title = {Visible light driven photocatalytic evolution of hydrogen from water over CdS encapsulated MCM-48 materials.},
	journal = {RSC Advances},
	volume = {2},
	year = {2012},
	note = {CAPLUS AN 2012:860855(Journal; Online Computer File)},
	month = {2012///},
	pages = {5754 - 5767},
	publisher = {Royal Society of Chemistry},
	abstract = {CdS encapsulated cubic MCM-48 mesoporous photocatalysts were prepd. by a post-impregnation method.  Powder X-ray diffraction (XRD), transmission electron microscopy (TEM), nitrogen adsorption isotherm, UV-visible diffuse reflectance spectroscopy (DRS), FT-IR spectrometry, XPS, at. absorption spectroscopy (AAS), and photoluminescence (PL) spectroscopy were employed for the characterization of the CdS incorporated MCM-48 siliceous materials.  MCM-48 was loaded with different amts. of CdS.  In the current study, all the samples showed photocatalytic activity under visible light (λ > 400 nm) irradn. for prodn. of hydrogen from splitting of water in the absence of Pt, which is usually used in photocatalytic splitting of water.  The photocatalytic activity of the CdS incorporated MCM-48 mesoporous photocatalysts was found to be dependent on the CdS loading and the pore size of MCM-48 siliceous support.  The highest solar hydrogen evolution rate by visible light irradn. from the splitting of water was detd. to be 1.81 mmol h-1 gCdS-1 and the apparent quantum yield was estd. to be 16.6\%. [on SciFinder(R)]},
	keywords = {cadmium sulfide encapsulation photocatalyst water hydrogen photocatalytic activity},
	isbn = {2046-2069},
	author = {Peng, Rui and Zhao, Dan and Baltrusaitis, Jonas and Wu, Chia-Ming and Koodali, Ranjit T.}
}
@article {148,
	title = {Water Adsorption on Clay Minerals As a Function of Relative Humidity: Application of BET and Freundlich Adsorption Models.},
	journal = {Langmuir},
	volume = {28},
	year = {2012},
	note = {CAPLUS AN 2011:1640459(Journal; Online Computer File)},
	month = {2012///},
	pages = {1790 - 1803},
	publisher = {American Chemical Society},
	abstract = {Water adsorption on kaolinite, illite, and montmorillonite clays was studied as a function of relative humidity (RH) at room temp. (298 K) using horizontal attenuated total reflectance (HATR) FTIR spectroscopy equipped with a flow cell.  The water content as a function of RH was modeled using the Brunauer, Emmett, and Teller (BET) and Freundlich adsorption isotherm models to provide complementary multilayer adsorption anal. of water uptake on the clays.  A detailed anal. of model fit integrity is reported.  From the BET fit to the exptl. data, the water content on each of the three clays at monolayer (ML) water coverage was detd. and found to agree with previously reported gravimetric data.  However, BET anal. failed to adequately describe adsorption phenomena at RH values >80\%, 50\%, and 70\% RH for kaolinite, illite, and montmorillonite clays, resp.  The Freundlich adsorption model was found to fit the data well over the entire range of RH values studied and revealed two distinct water adsorption regimes.  Data obtained from the Freundlich model showed that montmorillonite has the highest water adsorption strength and highest adsorption capacity at RH values >19\% (i.e., above ML water adsorption) relative to the kaolinite and illite clays.  The difference in the obsd. water adsorption behavior between the three clays was attributed to different water uptake mechanisms based on a distribution of available adsorption sites.  Probably different properties drive water adsorption under different adsorption regimes resulting in the broad variability of water uptake mechanisms. [on SciFinder(R)]},
	keywords = {water adsorption clay mineral humidity},
	isbn = {0743-7463},
	author = {Hatch, Courtney D. and Wiese, Jadon S. and Crane, Cameron C. and Harris, Kenneth J. and Kloss, Hannah G. and Baltrusaitis, Jonas.}
}
@article {149,
	title = {Carbon dioxide adsorption on oxide nanoparticle surfaces.},
	journal = {Chemical Engineering Journal (Amsterdam, Netherlands)},
	volume = {170},
	year = {2011},
	note = {CAPLUS AN 2011:672234(Journal; Online Computer File)},
	month = {2011///},
	pages = {471 - 481},
	publisher = {Elsevier B.V.},
	abstract = {In this paper, focused on environmental nanotechnol., we review some recent results for carbon dioxide (CO2) adsorption on hydroxylated Fe2O3, γ-Al2O3, and TiO2 nanoparticle surfaces at 296 K as followed by transmission FTIR spectroscopy.  In the absence of water vapor (<1\% relative humidity, RH), following exposure to CO2 different species formed on the oxide surface due to the presence of adsorption sites with different basicities.  While the majority surface species on Fe2O3, γ-Al2O3 is detd. to be adsorbed bicarbonate, on TiO2 nanoparticles bidentate carbonate was more prevalent.  A carboxylate species was obsd. on TiO2 nanoparticles under dry conditions as well.  When water is present at 40\% RH, the nature of the adsorbed CO2 species changed to that of solvated carbonate formation in the adsorbed water layer.  Obsd. initial adsorption rates were calcd. from time-course expts. under dry conditions and in the presence of 40\% RH.  When initial adsorption rates were compared between dry and wet expts., a larger value was found for dry expts. suggesting that CO2 mols. have to compete for adsorption sites with water on these nanoparticle surfaces.  As discussed here, quantum chem. calcns. provide some addnl. insights into CO2 adsorption on hydroxylated metal oxide surfaces in the presence and absence of molecularly adsorbed water. [on SciFinder(R)]},
	keywords = {carbon dioxide adsorption oxide nanoparticle surface relative humidity water},
	isbn = {1385-8947},
	author = {Baltrusaitis, Jonas and Schuttlefield, Jennifer and Zeitler, Elizabeth and Grassian, Vicki H.}
}
@article {150,
	title = {Crystal engineering rescues a solution organic synthesis in a cocrystallization that confirms the configuration of a molecular ladder.},
	journal = {Proceedings of the National Academy of Sciences of the United States of America},
	year = {2011},
	note = {CAPLUS AN 2011:775876(Journal; Online Computer File)},
	month = {2011///},
	pages = {1-6, 6 pp.},
	publisher = {National Academy of Sciences},
	abstract = {Treatment of an achiral mol. ladder of C2h symmetry composed of five edge-sharing cyclobutane rings, or a [5]-ladderane, with acid results in cis- to trans-isomerization of end pyridyl groups.  Soln. NMR spectroscopy and quantum chem. calcns. support the isomerization to generate two diastereomers.  The NMR data, however, could not lead to unambiguous configurational assignments of the two isomers.  Single-crystal X-ray diffraction was employed to det. each configuration.  One isomer readily crystd. as a pure form and X-ray diffraction revealed the mol. as being achiral based on Ci symmetry.  The second isomer resisted crystn. under a variety of conditions.  Consequently, a strategy based on a cocrystn. was developed to generate single crystals of the second isomer.  Cocrystn. of the isomer with a carboxylic acid readily afforded single crystals that confirmed a chiral ladderane based on C2 symmetry.  The chiral ladderane and acid self-assembled to generate a five-component hydrogen-bonded complex that packs to form large solvent-filled homochiral channels of nanometer-scale dimensions.  Whereas cocrystns. are frequently applied to structure detns. of proteins, our study represents the first application of a cocrystn. to confirm the relative configuration of a small-mol. diastereomer generated in a soln.-phase org. synthesis. [on SciFinder(R)]},
	url = {http://www.pnas.org/cgi/reprint/1104352108v1},
	author = {Atkinson, Manza B. J. and Mariappan, S. V. Santhana and Bucar, Dejan-Kresimir and Baltrusaitis, Jonas and Friscic, Tomislav and Sinada, Naif G. and MacGillivray, Leonard R.}
}
@article {151,
	title = {Electrically conductive surface modifications of three-dimensional polypropylene fumarate scaffolds},
	journal = {Journal of biological regulators and homeostatic agents},
	volume = {25},
	year = {2011},
	note = {MEDLINE AN 2012053473(Journal; Article; (JOURNAL ARTICLE); (RESEARCH SUPPORT, N.I.H., EXTRAMURAL); (RESEARCH SUPPORT, U.S. GOV{\textquoteright}T, NON-P.H.S.))},
	month = {2011///},
	pages = {S15-23},
	abstract = {Polypropylene fumarate (PPF) scaffolds fabricated by rapid prototyping were surface modified by solution deposition of electrically conductive polypyrrole coatings with or without hydroxyapatite.  Scaffolds were electrically conductive with resistivity as low as 2Ω.  Scaffold characterization by Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and thermo gravimetric analysis shows both polypyrrole and hydroxyapatite are present.  Cell viability, attachment, proliferation, and differentiation were analyzed using human fetal osteoblast cells.  These studies show that surface modification using hydroxyapatite improved cell attachment and proliferation of osteoblasts onto the PPF scaffolds.  Alkaline phosphatase activity as a marker for osteogenic differentiation of cell to mature osteoblasts was analyzed.  Our data reveal that osteoblasts maintained their phenotype on PPF scaffolds with and without coatings.  Thus, these scaffolds could be appropriate candidates for our future in vivo studies.[on SciFinder (R)]},
	isbn = {0393-974X},
	author = {Runge, M. B. and Dadsetan, M. and Baltrusaitis, J. and Yaszemski, M. J.}
}
@article {152,
	title = {Formation of paratacamite nanomaterials via the conversion of aged and oxidized copper nanoparticles in hydrochloric acidic media.},
	journal = {Journal of Materials Chemistry},
	volume = {21},
	year = {2011},
	note = {CAPLUS AN 2011:194197(Journal)},
	month = {2011///},
	pages = {3162 - 3169},
	publisher = {Royal Society of Chemistry},
	abstract = {Nanoparticles and nanostructured aggregates of paratacamite are prepd. in acidic solns. through the conversion of copper-based nanoparticles.  Aged and oxidized copper nanoparticles with an av. primary particle size of \~{}15 nm, when combined with hydrochloric acid solns. in the range of 0.025 to 0.1 M, show interesting behavior yielding both a change in nanoparticle primary size, as measured by an electrospray scanning mobility particle sizer, and in chem. compn. to produce a copper chloride hydroxide mineral identified as paratacamite (γ-Cu2(OH)3Cl) by powder X-ray diffraction of the dehydrated solid sample.  Taken together, these data suggest that paratacamite nanoparticles in soln. can aggregate to yield microporous paratacamite materials.  Microporous paratacamite was characterized by several techniques including X-ray diffraction, transmission electron microscopy, energy dispersive X-ray anal., electron energy loss spectroscopy, XPS and surface area measurements.  Oxidn. of these copper-based nanoparticles with mol. oxygen and the role of the oxidized layer in the formation of paratacamite have been investigated.  Comparison to microscale copper particles showed there is unique oxidn. behavior of nanoscale copper particles that results in unique reaction chem. of oxidized nanoscale copper particles with hydrochloric acid solns. to form paratacamite.  This study provides a new route for the formation of paratacamite nanomaterials that can be used in a wide range of chem. interesting applications including hydrogen storage materials and as a heterogeneous catalyst for the synthesis of green solvents such as di-Me and di-Et carbonates.  Addnl., this study suggests a potentially new pathway for the degrdn. of art objects and ancient artifacts as well as other cultural heritage materials contg. small copper particles that has not been previously considered. [on SciFinder(R)]},
	keywords = {conversion aged oxidized copper nanoparticle hydrochloric acidic medium, formation paratacamite nanomaterial},
	isbn = {0959-9428},
	author = {Elzey, Sherrie and Baltrusaitis, Jonas and Bian, Shaowei and Grassian, Vicki H.}
}
@article {153,
	title = {Induction of Inflammasome-dependent Pyroptosis by Carbon Black Nanoparticles.},
	journal = {Journal of Biological Chemistry},
	volume = {286},
	year = {2011},
	note = {CAPLUS AN 2011:737835(Journal)},
	month = {2011///},
	pages = {21844 - 21852},
	publisher = {American Society for Biochemistry and Molecular Biology},
	abstract = {Inhalation of nanoparticles has been implicated in respiratory morbidity and mortality.  In particular, carbon black nanoparticles are found in many different environmental exposures.  Macrophages take up inhaled nanoparticles and respond via release of inflammatory mediators and in some cases cell death.  Based on new data, we propose that exposure of macrophages (both a macrophage cell line and primary human alveolar macrophages) to carbon black nanoparticles induces pyroptosis, an inflammasome-dependent form of cell death.  Exposure of macrophages to carbon black nanoparticles resulted in inflammasome activation as defined by cleavage of caspase 1 to its active form and downstream IL-1β release.  The cell death that occurred with carbon black nanoparticle exposure was identified as pyroptosis by the protective effect of a caspase 1 inhibitor and a pyroptosis inhibitor.  These data demonstrate that carbon black nanoparticle exposure activates caspase 1, increases IL-1β release after LPS priming, and induces the proinflammatory cell death, pyroptosis.  The identification of pyroptosis as a cellular response to carbon nanoparticle exposure is novel and relates to environmental and health impacts of carbon-based particulates. [on SciFinder(R)]},
	keywords = {carbon black nanoparticle immunotoxicity inflammasome pyroptosis},
	isbn = {0021-9258},
	author = {Reisetter, Anna C. and Stebounova, Larissa V. and Baltrusaitis, Jonas and Powers, Linda and Gupta, Amit and Grassian, Vicki H. and Monick, Martha M.}
}
@article {154,
	title = {Layered molybdenum oxide thin films electrodeposited from sodium citrate electrolyte solution.},
	journal = {Journal of Solid State Electrochemistry},
	volume = {15},
	year = {2011},
	note = {CAPLUS AN 2011:429218(Journal; Online Computer File)},
	month = {2011///},
	pages = {711 - 723},
	publisher = {Springer},
	abstract = {Molybdenum oxide thin films were prepd. electrochem. onto the selenium predeposited tin oxide-coated glass substrates using 0.22 M sodium citrate (C6H5Na3O7) soln. (pH 8.3) and sodium molybdate as a precursor.  Cyclic voltammetry was used to det. the deposition potential effects on molybdenum compd. speciation, while quant. thin film compn. was obtained from XPS depth profiles.  Thin molybdenum film growth and compn. was potential dependant.  Predominant molybdenum species was Mo(IV) at all deposition potentials and deposition times.  Optical properties of the molybdenum oxide thin films were detd. using UV-VIS spectroscopy.  The absorption edge varied between 560 and 650 nm, whereas optical band gap values-between 1.79 and 2.19 eV-well within the limits for solar light-induced chem. reactions. [on SciFinder(R)]},
	keywords = {layered molybdenum oxide film electrodeposition sodium citrate electrolyte soln},
	isbn = {1432-8488},
	author = {Sinkeviciute, Dovile and Baltrusaitis, Jonas and Dukstiene, Nijole.}
}
@article {155,
	title = {Phomalevones A-C: Dimeric and pseudodimeric polyketides from a fungicolous Hawaiian isolate of Phoma sp. (Cucurbitariaceae).},
	journal = {Journal of Natural Products},
	volume = {74},
	year = {2011},
	note = {CAPLUS AN 2011:84225(Journal; Online Computer File)},
	month = {2011///},
	pages = {395 - 401},
	publisher = {American Chemical Society-American Society of Pharmacognosy},
	abstract = {Phomalevones A-C (1-3), three new compds. with bis-dihydroxanthone and bis-benzophenone systems, were isolated from cultures of a Hawaiian isolate of Phoma sp. (MYC-1734 = NRRL 39060; Cucurbitariaceae).  The structures of 1-3 were detd. by anal. of NMR and MS data.  The abs. configurations of the sp3 stereocenters in the monomeric unit of 1 were assigned by application of Mosher{\textquoteright}s method, and overall abs. configurations were proposed on the basis of ECD data using both computational methods and comparisons with literature data for model compds.  All three compds. showed antibacterial activity, and compds. 2 and 3 also exhibited antifungal effects. [on SciFinder(R)]},
	keywords = {phomalevone Phoma},
	isbn = {0163-3864},
	author = {Shim, Sang Hee and Baltrusaitis, Jonas and Gloer, James B. and Wicklow, Donald T.}
}
@article {157,
	title = {Radio frequency glow discharge-induced acidification of fluoropolymers},
	journal = {Journal of biomedical materials research. Part A},
	volume = {99},
	year = {2011},
	note = {MEDLINE AN 2011931130(Journal; Article; (JOURNAL ARTICLE); (RESEARCH SUPPORT, NON-U.S. GOV{\textquoteright}T))},
	month = {2011///},
	pages = {418 - 25},
	abstract = {Fluoropolymer surfaces are unique in view of the fact that they are quite inert, have low surface energies, and possess high thermal stabilities.  Attempts to modify fluoropolymer surfaces have met with difficulties in that it is difficult to control the modification to maintain bulk characteristics of the polymer.  In a previously described method, the replacement of a small fraction of surface fluorine by acid groups through radio frequency glow discharge created a surface with unexpected reactivity allowing for attachment of proteins in their active states.  The present study demonstrates that 1-ethyl-3-[3-dimethylaminopropyl] carbodiimide hydrochloride (EDC) reacts with the acid groups on fluoropolymer surfaces in a novel reaction not previously described.  This reaction yields an excellent leaving group in which a primary amine on proteins can substitute to form a covalent bond between a protein and these surfaces.  In an earlier study, we demonstrated that collagen IV could be deposited on a modified PTFE surface using EDC as a linker.  Once collagen IV is attached to the surface, it assembles to form a functional stratum resembling collagen IV in native basement membrane.  In this study, we show data suggesting that the fluorine to carbon ratio determines the acidity of the fluoropolymer surfaces and how well collagen IV attaches to and assembles on four different fluoropolymer surfaces.[on SciFinder (R)]},
	isbn = {1552-4965},
	author = {Krawczyk, Benjamin M. and Baltrusaitis, Jonas and Yoder, Colin M. and Vargo, Terrence G. and Bowden, Ned B. and Kader, Khalid N.}
}
@article {158,
	title = {Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding.},
	journal = {Journal of the American Chemical Society},
	volume = {133},
	year = {2011},
	note = {CAPLUS AN 2011:625565(Journal; Online Computer File)},
	month = {2011///},
	pages = {8490 - 8493},
	publisher = {American Chemical Society},
	abstract = {Principles of crystal engineering have been applied toward the construction of supramol. assemblies between an acid-functionalized tetraphenylethylene deriv. and three different bis(pyridine)s [4,4{\textquoteright}-bis(pyridyl)ethylene, 4,4{\textquoteright}-bis(pyridyl)ethane, and 4,4{\textquoteright}-bipyridine].  Each assembly was structurally characterized, and charge transfer interactions within each sample were visually apparent.  Quantum chem. calcns. were used to det. crystal band structure and band gap magnitude, and elec. properties of the materials were measured using conducting probe at. force microscopy (CP-AFM).  The crystals displayed charge-carrier capability, and the magnitude of semicond. varied systematically as a function of conjugation in the bis(pyridine) component.  Crystals incorporating 4,4{\textquoteright}-bis(pyridyl)ethylene and 4,4{\textquoteright}-bipyridine displayed conductivities comparable to those of established org. semiconductors (μeff = 0.38 and 1.7 {\texttimes} 10-2 cm2/V{\textperiodcentered}s, resp.). [on SciFinder(R)]},
	keywords = {semiconductor tetraphenylethylene tetracarboxylic acid bispyridine charge assisted hydrogen bond},
	isbn = {0002-7863},
	author = {Kapadia, Pradeep P. and Ditzler, Lindsay R. and Baltrusaitis, Jonas and Swenson, Dale C. and Tivanski, Alexei V. and Pigge, F. Christopher.}
}
@article {159,
	title = {Sulfur Dioxide Adsorption on TiO2 Nanoparticles: Influence of Particle Size, Coadsorbates, Sample Pretreatment, and Light on Surface Speciation and Surface Coverage.},
	journal = {Journal of Physical Chemistry C},
	volume = {115},
	year = {2011},
	note = {CAPLUS AN 2010:1546849(Journal; Online Computer File)},
	month = {2011///},
	pages = {492 - 500},
	publisher = {American Chemical Society},
	abstract = {The adsorption of sulfur dioxide (SO2) on titanium dioxide (TiO2) nanoparticle surfaces at 296 K under a wide range of conditions has been investigated.  XPS is used to investigate the surface speciation and surface coverage of sulfur-contg. products on ca. 4 nm TiO2 anatase particles that remain on the surface following adsorption of SO2.  The effects of various environmental conditions of relative humidity, mol. oxygen, and broadband UV/vis irradn. as well as sample pretreatment were found to impact the speciation of adsorbed SO2 as well as the satn. coverage.  In particular, in the absence of light, the majority surface species upon SO2 adsorption is found to be adsorbed sulfite.  Broadband UV/vis irradn. during sulfur dioxide adsorption leads to an increase (nearly 2-fold) in the amt. of adsorbed sulfur species, as compared to expts. with no light, and results in the formation of adsorbed sulfate.  The formation of sulfate was quant. in the presence of mol. oxygen.  New surface species including chemisorbed mol. SO2 were obsd. on samples that have been reduced in vacuum through argon ion sputtering.  The total amt. of adsorbed sulfur was impacted by surface hydroxyl group coverage and molecularly adsorbed water layer.  Addnl., comparison of sulfur dioxide adsorption on 4 vs. 32 nm sized anatase nanoparticles showed that surface satn. coverages of adsorbed sulfite on the 4 nm particles was almost twice that of 32 nm particles as measured by the S2p:Ti2p peak area ratios, thus showing an increase in the inherent adsorption capacity of the smaller particles.  Proposed adsorption sites and mechanisms to account for the obsd. exptl. data are discussed. [on SciFinder(R)]},
	keywords = {adsorption sulfur dioxide titania nanoparticle surface speciation irradn},
	isbn = {1932-7447},
	author = {Baltrusaitis, Jonas and Jayaweera, Pradeep M. and Grassian, Vicki H.}
}
@article {160,
	title = {Sulfur Dioxide Adsorption on ZnO Nanoparticles and Nanorods.},
	journal = {Journal of Physical Chemistry C},
	volume = {115},
	year = {2011},
	note = {CAPLUS AN 2011:546775(Journal; Online Computer File)},
	month = {2011///},
	pages = {10164 - 10172},
	publisher = {American Chemical Society},
	abstract = {ZnO nanomaterials, nanoparticles, and nanorods, were synthesized over a wide range of sizes with relatively high yield (\~{}90-95\%).  The synthesis method allows for size control by varying the amt. of water used and morphol. control by varying the zinc precursor (zinc acetate for nanoparticles or zinc acetylacetonate for nanorods).  These nanomaterials were analyzed with powder x-ray diffraction and attenuated total reflection FTIR spectroscopy.  Sulfur dioxide adsorption on nanoparticles and nanorods of different size was then studied using volumetric measurements, transmission FTIR spectroscopy, and XPS.  Nanoparticles and nanorods of several different sizes were heated to 550{\textdegree} to remove surface-adsorbed org. ligands that remained after the synthesis prior to exposure to SO2.  Spectroscopic anal. revealed the formation of several surface species, including sulfate, sulfite, sulfide, and weakly bound SO2.  Quantifying surface speciation as well as the total amt. of adsorbed sulfur from XPS and volumetric data reveals that sulfur speciation as well as the total amt. of adsorbed sulfur is a function of particle size and morphol. [on SciFinder(R)]},
	keywords = {sulfur dioxide adsorption zinc oxide nanoparticle nanorod},
	isbn = {1932-7447},
	author = {Wu, Chia-Ming and Baltrusaitis, Jonas and Gillan, Edward G. and Grassian, Vicki H.}
}
@article {161,
	title = {Thixotropic Hydrogel Derived from a Product of an Organic Solid-State Synthesis: Properties and Densities of Metal-Organic Nanoparticles.},
	journal = {Journal of the American Chemical Society},
	volume = {133},
	year = {2011},
	note = {CAPLUS AN 2011:232592(Journal; Online Computer File)},
	month = {2011///},
	pages = {3365 - 3371},
	publisher = {American Chemical Society},
	abstract = {Metallogels form from Cu(II) ions and tetratopic ligand rctt-1,2-bis(3-pyridyl)-3,4-bis(4-pyridyl)cyclobutane.  The tetrapyridyl cyclobutane was synthesized in the org. solid state.  The gel forms with a variety of counteranions and gels water.  The hydrogel is thixotropic and is composed of nanoscale metal-org. particles (NMOPs), a high surface area of which likely accounts for the gelation of the polar aq. medium.  A shear stress profile of the thixotropic hydrogel gave a yield value of 8.33 Pa.  A novel combination of at. force microscopy (AFM) and scanning transmission x-ray microscopy (STXM) is used to assess the densities of individual NMOPs.  A d. of 1.37 g/cm3 was detd.  A single-crystal x-ray diffraction study demonstrates the ability of the unsym. cyclobutane 3,4{\textquoteright}-tpcb to self-assemble with Cu(II) ions in [Cu2(hfac)4(3,4{\textquoteright}-tpcb)]$\infty$ (hfac is hexafluoroacetylacetonate) to form a solvated 1-dimensional coordination polymer. [on SciFinder(R)]},
	keywords = {nanoparticle hydrogel thixotropy copper coordination polymer crystal},
	isbn = {0002-7863},
	author = {Hamilton, Tamara D. and Bucar, Dejan-Kresimir and Baltrusaitis, Jonas and Flanagan, Douglas R. and Li, Yingjian and Ghorai, Suman and Tivanski, Alexei V. and MacGillivray, Leonard R.}
}
@article {164,
	title = {Carbonic Acid Formation from Reaction of Carbon Dioxide and Water Coordinated to Al(OH)3: A Quantum Chemical Study.},
	journal = {Journal of Physical Chemistry A},
	volume = {114},
	year = {2010},
	note = {CAPLUS AN 2010:112419(Journal)},
	month = {2010///},
	pages = {2350 - 2356},
	publisher = {American Chemical Society},
	abstract = {D. functional and ab initio calcns. have been performed on CO2-nH2O and Al(OH)3-CO2-nH2O (where n = 1, 2, 3) cluster models to elucidate the catalytic effect of a hydroxylated metal center on the formation of carbonic acid (H2CO3).  B3LYP/6-311++G(d,p)-calcd. geometries and RI-SCS-MP2/aug-cc-pVTZ//B3LYP/6-311++G(d,p)-calcd. energies with respect to isolated gas-phase mols. and various H2O, CO2, and H2CO3-Al(OH)3 complexes are presented.  It is shown here that H2CO3 formation proceeds via direct CO2 and nH2O reaction with very high activation barriers in the gas phase, 51.40, 29.64, and 19.84 kcal/mol for CO2-H2O, CO2-2H2O, and CO2-3H2O clusters, resp., decreasing in magnitude with an increase in the no. of H2O mols.  The energetics as well as the reaction mechanism and energy landscape change significantly when carbonic acid is formed from CO2 and nH2O in the presence of Al(OH)3, a hydroxylated metal center.  Results presented here show important details of the influence of the coordinating metal center in the formation of H2CO3. [on SciFinder(R)]},
	keywords = {carbonic acid formation quantum chem, reaction carbon dioxide water coordinated aluminum hydroxide quantum chem},
	isbn = {1089-5639},
	author = {Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {165,
	title = {Development of Electrically Conductive Oligo(polyethylene glycol) Fumarate-Polypyrrole Hydrogels for Nerve Regeneration.},
	journal = {Biomacromolecules},
	volume = {11},
	year = {2010},
	note = {CAPLUS AN 2010:1274866(Journal)},
	month = {2010///},
	pages = {2845 - 2853},
	publisher = {American Chemical Society},
	abstract = {Elec. conductive hydrogel composites consisting of oligo(polyethylene glycol) fumarate (OPF) and polypyrrole (PPy) were developed for applications in nerve regeneration.  OPF-PPy scaffolds were synthesized using three different anions: naphthalene-2-sulfonic acid sodium salt (NSA), dodecylbenzenesulfonic acid sodium salt (DBSA), and dioctyl sulfosuccinate sodium salt (DOSS).  Scaffolds were characterized by ATR-FTIR, XPS, AFM, dynamic mech. anal., elec. resistivity measurements, and swelling expts.  OPF-PPy scaffolds were shown to consist of up to 25 mol \% polypyrrole with a compressive modulus ranging from 265 to 323 kPa and a sheet resistance ranging from 6 to 30 {\texttimes} 103 Ohms/square.  In vitro studies using PC12 cells showed OPF-PPy materials had no cytotoxicity and PC12 cells showed distinctly better cell attachment and an increase in the percent of neurite bearing cells on OPF-PPy materials compared to OPF.  The neurite lengths of PC12 cells were significantly higher on OPF-PPyNSA and OPF-PPyDBSA.  These results show that elec. conductive OPF-PPy hydrogels are promising candidates for future applications in nerve regeneration. [on SciFinder(R)]},
	keywords = {elec conductive oligopolyethylene glycol fumarate polypyrrole hydrogel nerve regeneration},
	isbn = {1525-7797},
	author = {Runge, M. Brett and Dadsetan, Mahrokh and Baltrusaitis, Jonas and Ruesink, Terry and Lu, Lichun and Windebank, Anthony J. and Yaszemski, Michael J.}
}
@article {172,
	title = {The development of electrically conductive polycaprolactone fumarate-polypyrrole composite materials for nerve regeneration.},
	journal = {Biomaterials},
	volume = {31},
	year = {2010},
	note = {CAPLUS AN 2010:772547(Journal)},
	month = {2010///},
	pages = {5916 - 5926},
	publisher = {Elsevier Ltd.},
	abstract = {Elec. conductive polymer composites composed of polycaprolactone fumarate and polypyrrole (PCLF-PPy) have been developed for nerve regeneration applications.  Here we report the synthesis and characterization of PCLF-PPy and in vitro studies showing PCLF-PPy materials support both PC12 cell and dorsal root ganglia (DRG) neurite extension.  PCLF-PPy composite materials were synthesized by polymg. pyrrole in preformed PCLF scaffolds (Mn 7000 or 18,000 g mol-1) resulting in interpenetrating networks of PCLF-PPy.  Chem. compns. and thermal properties were characterized by ATR-FTIR, XPS, DSC, and TGA.  PCLF-PPy materials were synthesized with five different anions (naphthalene-2-sulfonic acid sodium salt (NSA), dodecylbenzenesulfonic acid sodium salt (DBSA), dioctyl sulfosuccinate sodium salt (DOSS), potassium iodide (I), and lysine) to investigate effects on elec. cond. and to optimize chem. compn. for cellular compatibility.  PCLF-PPy materials have variable elec. cond. up to 6 mS cm-1 with bulk compns. ranging from 5 to 13.5 \% polypyrrole.  AFM and SEM characterization show microstructures with a root mean squared (RMS) roughness of 1195 nm and nanostructures with RMS roughness of 8 nm.  In vitro studies using PC12 cells and DRG show PCLF-PPy materials synthesized with NSA or DBSA support cell attachment, proliferation, neurite extension, and are promising materials for future studies involving elec. stimulation. [on SciFinder(R)]},
	keywords = {elec conductive polycaprolactone fumarate polypyrrole composite nerve regeneration},
	isbn = {0142-9612},
	author = {Brett Runge, M. and Dadsetan, Mahrokh and Baltrusaitis, Jonas and Knight, Andrew M. and Ruesink, Terry and Lazcano, Eric A. and Lu, Lichun and Windebank, Anthony J. and Yaszemski, Michael J.}
}
@article {166,
	title = {E-beam lithography of computer generated holograms using fully vectorial 3D beam propagation method.},
	journal = {Microelectronic Engineering},
	volume = {87},
	year = {2010},
	note = {CAPLUS AN 2010:985606(Journal)},
	month = {2010///},
	pages = {2332 - 2337},
	publisher = {Elsevier B.V.},
	abstract = {A fully vectorial 3D beam propagation method (BPM) has been applied to obtain a required pattern of computer generated hologram (CGH) with a variable profile of four phase levels.  The computer reconstruction of the CGH image having one and two focal spots was performed by application of the fully vectorial 3D BPM method.  After transferring the CGH by EBL technique an adequate phase profile was obtained.  Inter-level parameter method was developed to obtain the estd. an electron beam dose required for the even topog. patterning.  Using this method, an EBL exposure dose detd. to achieve the required relief amplitude of 1.29 μm was 43 μC/cm2.  The manufd. holograms showed that the overall proposed prodn. process, from the 3D BPM computer simulation to e-beam lithog., can be used to obtain good quality product with reasonable time and computational resources. [on SciFinder(R)]},
	keywords = {electron beam lithog computer generated holograms fully vectorial 3D},
	isbn = {0167-9317},
	author = {Petruskevicius, Raimondas and Baltrusaitis, Jonas and Kezys, Darius and Mikolajunas, Marius and Grigaliunas, Viktoras and Virzonis, Darius.}
}
@article {167,
	title = {Hymenopsins A and B and a macrophorin analog from a fungicolous Hymenopsis sp.},
	journal = {Journal of Natural Products},
	volume = {73},
	year = {2010},
	note = {CAPLUS AN 2009:1462186(Journal)},
	month = {2010///},
	pages = {404 - 408},
	publisher = {American Chemical Society-American Society of Pharmacognosy},
	abstract = {Hymenopsin A (1), hymenopsin B (2), and a new macrophorin analog, 2{\textquoteright},3{\textquoteright}-epoxy-13-hydroxy-4{\textquoteright}-oxomacrophorin A (3), have been isolated from a fungicolous isolate of Hymenopsis sp. (MYC-1703; NRRL 37638).  The structures and relative configurations of these compds. were assigned on the basis of 2D NMR and MS data, and the identity of 1 was confirmed by X-ray crystallog. anal.  The abs. configuration of 2 was proposed on the basis of CD anal. using both empirical and computational methods.  Compds. 2 and 3 showed antibacterial activity against Staphylococcus aureus and Bacillus subtilis.  Compd. 3 was also active against Aspergillus flavus and Fusarium verticillioides. [on SciFinder(R)]},
	keywords = {hymenopsin Hymenopsis},
	isbn = {0163-3864},
	author = {Schmidt, Lori E. and Deyrup, Stephen T. and Baltrusaitis, Jonas and Swenson, Dale C. and Wicklow, Donald T. and Gloer, James B.}
}
@article {168,
	title = {Photoactive WO3 and Se-WO3 thin films for photoelectrochemical oxidation of organic compounds.},
	journal = {Journal of Applied Electrochemistry},
	volume = {40},
	year = {2010},
	note = {CAPLUS AN 2010:636390(Journal)},
	month = {2010///},
	pages = {1337 - 1347},
	publisher = {Springer},
	abstract = {Thin films of bare and Se-contg. tungsten trioxide (WO3) on AISI 304-type stainless steel were prepd. by electrochem. deposition using peroxy-tungstate solns.  The obtained films were characterized by X-ray diffraction, photoelectron spectroscopy, SEM, thermal and photovoltammetry analyses.  The oxidn. of methylene blue, phenol, and methanol was used to evaluate the photoelectrocatalytic activity of the prepd. films.  It has been established that the incident photon-to-current efficiency (IPCE) in 0.1-M K2SO4 decreases as the concn. of methylene blue and phenol increases.  On the contrary, the IPCE values increase with the increase in initial concn. of methanol.  The bulk electrolysis expts. revealed that the prepd. films are stable and can be used for photoelectrochem. oxidn. of methanol. [on SciFinder(R)]},
	keywords = {electrodeposition tungsten oxide selenium film photoelectrochem oxidn catalyst, photoactive tungsten oxide selenium film photoelectrochem oxidn org compd},
	isbn = {0021-891X},
	author = {Ostachaviciute, Simona and Baltrusaitis, Jonas and Valatka, Eugenijus.}
}
@article {169,
	title = {Principles of electrochemical reduction of Na2MoO4 on a Se/SnO2/glass surface.},
	journal = {Chemine Technologija (Kaunas, Lithuania)},
	year = {2010},
	note = {CAPLUS AN 2010:548442(Journal)},
	month = {2010///},
	pages = {28 - 35},
	publisher = {Technologija},
	abstract = {Na2MoO4 electrochem. redn. from 0.22 mol/dm3 sodium citrate supporting soln. was investigated by the cyclic voltammetry, XPS and lateral force microscopy techniques.  Exptl. results have indicated that molybdenum oxide is initially deposited on the Se/SnO2/glass surface in a potential range from -0.20 V to -0.80 V.  XPS anal. exhibited the molybdenum oxide stoichiometry of 2.9.  The nucleation mechanism of MoOx onto Se/SnO2/glass surface was investigated by the current transient technique.  The deposition transients analyzed in the non-dimensional plots I2/I2m = f(t/tm) and I2/I2m = f(t/tm)2 have shown that MoOx nucleates according to a progressive mechanism.  The nucleation rate depends on Na2MoO4 concn. in the supporting electrolyte and on the deposition potential. [on SciFinder(R)]},
	keywords = {sodium molybdate electrochem redn tin dioxide selenium glass surface},
	isbn = {1392-1231},
	author = {Sinkeviciute, D. and Dukstiene, N. and Baltrusaitis, J. and Guobiene, A.}
}
@article {170,
	title = {Reactions on Atmospheric Dust Particles: Surface Photochemistry and Size-Dependent Nanoscale Redox Chemistry.},
	journal = {Journal of Physical Chemistry Letters},
	volume = {1},
	year = {2010},
	note = {CAPLUS AN 2010:616561(Journal; General Review; Online Computer File)},
	month = {2010///},
	pages = {1729 - 1737},
	publisher = {American Chemical Society},
	abstract = {A review concerning new mechanisms and reaction pathways identified in lab. studies of atm. mineral dust and nano-dust (potential new source of metal-contg. dust from engineered nano-materials) components, particularly surface photochem. and size-dependent, nano-scale redox chem. is given. [on SciFinder(R)]},
	keywords = {review airborne dust nanodust reaction, size depended nanoscale redox chem airborne dust review, surface photochem airborne dust nanodust review},
	isbn = {1948-7185},
	url = {http://pubs.acs.org/doi/pdfplus/10.1021/jz100371d},
	author = {Rubasinghege, Gayan and Elzey, Sherrie and Baltrusaitis, Jonas and Jayaweera, Pradeep M. and Grassian, Vicki H.}
}
@article {162,
	title = {A red zwitterionic co-crystal of acetaminophen and 2,4-pyridinedicarboxylic acid.},
	journal = {Journal of Pharmaceutical Sciences},
	volume = {99},
	year = {2010},
	note = {CAPLUS AN 2010:933031(Journal)},
	month = {2010///},
	pages = {3676 - 3683},
	publisher = {Wiley-Liss, Inc.},
	abstract = {We report on a co-crystal of acetaminophen (APAP) and 2,4-pyridinedicarboxylic acid (PDA).  The co-crystal was discovered by screening using the soln.-mediated phase transformation (SMPT) technique.  Despite the bulk solids of each component being white in color, the new co-crystal phase exhibited a red color.  The new phase was analyzed using single-crystal X-ray diffraction and identified as (APAP){\textperiodcentered}(PDA){\textperiodcentered}(1).  Structural anal. revealed PDA to exist in a hitherto unreported zwitterionic form in the co-crystal.  A structural anal. of pure PDA revealed the presence of the zwitterion form in (PDA){\textperiodcentered}(H2O) (2), as well.  The components of 1 self-assemble as a three-dimensional (3D) hydrogen-bonded network with a pronounced 2D structure.  The origin of the red color was investigated using d. functional theory calcns., which demonstrate a decreasing π-π* sepn. involving the components of the solid. {\textcopyright} 2010 Wiley-Liss, Inc. and the American Pharmacists Assocn. J Pharm Sci 99:3676-3683, 2010. [on SciFinder(R)]},
	keywords = {zwitterion cocrystal acetaminophen pyridinedicarboxylate crystn crystal engineering solid state},
	isbn = {0022-3549},
	author = {Sander, John R. G. and Bucar, Dejan-Kresimir and Henry, Rodger F. and Baltrusaitis, Jonas and Zhang, Geoff G. Z. and MacGillivray, Leonard R.}
}
@article {171,
	title = {Supramolecular Catalysis in the Organic Solid State through Dry Grinding.},
	journal = {Angewandte Chemie, International Edition},
	volume = {49},
	year = {2010},
	note = {CAPLUS AN 2010:708671(Journal)},
	month = {2010///},
	pages = {4273 - 4277},
	publisher = {Wiley-VCH Verlag GmbH \& Co. KGaA},
	abstract = {We report a ditopic supramol. receptor, in the form of the bifunctional hydrogen-bond donor 4,6-dichlororesorcinol (4,6-diCl-res) that operates as a supramol. catalyst in the absence of solvent (Figure 1).  The catalytic reaction is a [2+2] photodimerization of trans-1,2-bis(4-pyridyl)ethylene (4,4{\textquoteright}-bpe).  The reaction results in the stereospecific formation of rctt-tetrakis(4-pyridyl)cyclobutane (4,4{\textquoteright}-tpcb) in near quant. yield.  We employ mechanochem. energy in the form of dry mortar- and-pestle grinding, in a two-step process that we demonstrate results in reactions between different cryst. phases. [on SciFinder(R)]},
	keywords = {crystal structure photoproduct stereoselective photodimer trans bis pyridylethylene, solid state photodimerization trans bis pyridylethylene dry grinding},
	isbn = {1433-7851},
	author = {Sokolov, Anatoliy N. and Bucar, Dejan-Kresimir and Baltrusaitis, Jonas and Gu, Sean X. and MacGillivray, Leonard R.}
}
@article {163,
	title = {A template-free, thermal decomposition method to synthesize mesoporous MgO with a nanocrystalline framework and its application in carbon dioxide adsorption.},
	journal = {Journal of Materials Chemistry},
	volume = {20},
	year = {2010},
	note = {CAPLUS AN 2010:1212416(Journal)},
	month = {2010///},
	pages = {8705 - 8710},
	publisher = {Royal Society of Chemistry},
	abstract = {Alk. earth-based oxides are important materials for CO2 storage.  A template-free method to synthesize meso-porous MgO by thermal decompn. of anhyd. magnesium acetate is presented.  Characterization of cryst. phase, particle and pore sizes, and surface area for mesoporous MgO was done using a variety of techniques: SEM, high resoln. transmission electron microscopy, powder x-ray diffraction, and N2 adsorption anal.  Results showed meso-porous MgO synthesized from anhyd. magnesium acetate had a high surface area (120-136 m2/g) and a narrow pore size distribution (3-4 nm).  The pore was comprised of small, primary MgO nano-particle aggregates with inter-particle connections.  In-situ transmission Fourier transform IR spectroscopy assessed CO2 adsorption by meso-porous MgO.  This spectroscopic assessment showed meso-porous MgO exhibited enhanced CO2 adsorption capacity vs. com. available MgO nano-particles.  This difference was mainly attributed to increased surface area.  Differences in surface carbonate/bicarbonate speciation, obsd. between meso-porous and com. MgO, were related to structural differences of the smaller nano-particles. [on SciFinder(R)]},
	keywords = {air purifn carbon dioxide adsorption mesoporous magnesia, template free thermal decompn synthesis magnesia sorbent},
	isbn = {0959-9428},
	author = {Bian, Shao-Wei and Baltrusaitis, Jonas and Galhotra, Pragati and Grassian, Vicki H.}
}
@article {173,
	title = {Calcite ( 1 0 1 4 ) surface in humid environments.},
	journal = {Surface Science},
	volume = {603},
	year = {2009},
	note = {CAPLUS AN 2009:1033091(Journal)},
	month = {2009///},
	pages = {L99-L104},
	publisher = {Elsevier B.V.},
	abstract = {A.c. mode At. Force Microscopy (AFM) height images combined with force measurements and phase imaging were used to investigate the surface reconstruction and chem. of the lowest energy surface, ( 1 0 1 4 ) plane, of calcite, a stable form of calcium carbonate (CaCO3), in the presence of relative humidity at different temps.  At 296 K and 70\% RH, calcite ( 1 0 1 4 ) undergoes rapid restructuring during hydration forming regions on the surface that are most likely characterized as an amorphous hydrate layer similar to what forms in soln. under high [Ca2+] supersatn. conditions.  This hydrate layer in turn serves as a substrate for the crystn. of another layer that possesses structural properties which differ from hydrate layer.  Phase imaging reveals that these different layer structures formed in the process of water adsorption and surface reconstruction have very different energy dissipation modes.  The origin of the different dissipation modes are likely due to differences in water content and hydrophobicity of these regions.  The newly formed layer on top of the hydration layer is proposed to be vaterite, another polymorph of CaCO3.  At 278 K the formation mechanism of the vaterite layer changes due to nucleation of a more cryst. hydrate layer, similar to CaCO3 hexahydrate, instead of the amorphous hydrate layer that forms at 296 K.  Force measurements corroborate the assignment of the speciation of different regions on the surface.  Importantly, the AFM data show that the surface of calcite is highly inhomogeneous with regions that vary in water content.  The reactivity of calcite in humid environments will be highly spatially dependent. [on SciFinder(R)]},
	keywords = {calcite surface humidity hydration vaterite nucleation},
	isbn = {0039-6028},
	author = {Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {174,
	title = {Dramatic Red-Shifted Fluorescence of [2.2]Paracyclophanes with Peripheral Substituents Attached to the Saturated Bridges.},
	journal = {Organic Letters},
	volume = {11},
	year = {2009},
	note = {CAPLUS AN 2009:1306162(Journal)},
	month = {2009///},
	pages = {5106 - 5109},
	publisher = {American Chemical Society},
	abstract = {A bridge-substituted [2.2]paracyclophane (I) obtained from the org. solid state exhibits a dramatic red shift in fluorescence relative to [2.2]paracyclophane.  A further red shift occurs upon alkylation of the pyridylcyclobutyl bridges (II; R = Me, Et).  Our results demonstrate that [2.2]cyclophanes substituted at the bridge, despite not being attached via the extended π-system, are promising building blocks in the development of optical materials. [on SciFinder(R)]},
	keywords = {red shifted fluorescence paracyclophane pyridinium salt prepn},
	isbn = {1523-7060},
	author = {Elacqua, Elizabeth and Bucar, Dejan-Kresimir and Skvortsova, Yulia and Baltrusaitis, Jonas and Geng, M. Lei and MacGillivray, Leonard R.}
}
@article {175,
	title = {Plasma etching of virtually stress-free stacked silicon nitride films.},
	journal = {Thin Solid Films},
	volume = {517},
	year = {2009},
	note = {CAPLUS AN 2009:661551(Journal)},
	month = {2009///},
	pages = {5769 - 5772},
	publisher = {Elsevier B.V.},
	abstract = {Stacked silicon nitride films for use in manufg. of surface micromachined membranes were deposited using custom made plasma-enhanced chem. vapor deposition instrument with silane (SiH4) and ammonia (NH3) gas mixt. as deposition precursor.  Deposition conditions were adjusted by varying substrate temp. and SiH4:NH3 flow ratio and temp. to obtain the required stress related and elec. properties of the membranes.  Transmission FTIR spectroscopy and SEM were used to investigate the chem. compn. and morphol. of the stacked film components.  An increase in the SiH4:NH3 flow ratio and a decrease in temp. resulted in a silicon-rich silicon nitride film, as well as an increased silicon oxide concn.  To avoid under-etch and sidewall defects, the plasma power d. during the plasma etching was changed from 0.5 W/cm2 during the etching of both top and bottom layers in a stacked film, to 1.0 W/cm2 during the etching of the middle both silicon and silicon oxide-rich film.  This resulted in an improved overall stacked film sidewall quality and reduced the unwanted under-etch. [on SciFinder(R)]},
	keywords = {stacked silicon nitride film CVD plasma etching property MEMS},
	isbn = {0040-6090},
	author = {Mikolajunas, M. and Baltrusaitis, J. and Kopustinskas, V. and Vanagas, G. and Grigaliunas, V. and Virzonis, D.}
}
@article {176,
	title = {XPS study of nitrogen dioxide adsorption on metal oxide particle surfaces under different environmental conditions.},
	journal = {Physical Chemistry Chemical Physics},
	volume = {11},
	year = {2009},
	note = {CAPLUS AN 2009:1128237(Journal)},
	month = {2009///},
	pages = {8295 - 8305},
	publisher = {Royal Society of Chemistry},
	abstract = {The adsorption of nitrogen dioxide on gamma aluminum oxide (γ-Al2O3) and alpha iron oxide (α-Fe2O3) particle surfaces under various conditions of relative humidity, presence of mol. oxygen and UV light has been investigated.  XPS is used to monitor the different surface species that form under these environmental conditions.  Adsorption of NO2 on aluminum oxide particle surfaces results primarily in the formation of surface nitrate, NO3- with an oxidn. state of +5, as indicated by a peak with binding energy of 407.3 eV in the N1s region.  An addnl. minority species, sensitive to the presence of relative humidity and mol. oxygen, is also obsd. in the N1s region with lower binding energy of 405.9 eV.  This peak is assigned to a surface species in the +4 oxidn. state.  When irradiated with UV light, other species form on the surface.  These surface-bound photochem. products all have lower binding energy, between 400 and 402 eV, indicating reduced nitrogen species in the range of N oxidns. states spanning +1 to -1.  Co-adsorbed water decreases the amt. of these reduced surface-bound products while the presence of mol. oxygen completely suppresses the formation of all reduced nitrogen species on aluminum oxide particle surfaces.  For NO2 on iron oxide particle surfaces, photoredn. is enhanced relative to γ-Al2O3 and surface bound photoreduced species are obsd. under all environmental conditions.  Complementing the exptl. data, N1s core electron binding energies (CEBEs) were calcd. using DFT for a no. of nitrogen-contg. species in the gas phase and adsorbed on an Al8O12 cluster.  A range of CEBEs is calcd. for various nitrogen species in different adsorption modes and oxidn. states.  These calcd. values are discussed in light of the peaks obsd. in the XPS N1s region and the possible species that form following NO2 adsorption and photoreaction on metal oxide particle surfaces under different conditions of relative humidity, presence of mol. oxygen and UV light. [on SciFinder(R)]},
	keywords = {nitrogen dioxide adsorbed metal oxide surface species XPS, oxygen nitrogen dioxide adsorbed metal oxide surface species XPS, UV nitrogen dioxide adsorbed metal oxide surface species XPS, water nitrogen dioxide adsorbed metal oxide surface species XPS},
	isbn = {1463-9076},
	author = {Baltrusaitis, Jonas and Jayaweera, Pradeep M. and Grassian, Vicki H.}
}
@article {177,
	title = {1,4-Bis(phosphine)-2,5-difluoro-3,6-dihydroxybenzenes and their P-oxides: Syntheses, structures, ligating and electronic properties.},
	journal = {Journal of Organometallic Chemistry},
	volume = {693},
	year = {2008},
	note = {CAPLUS AN 2008:1135825(Journal)},
	month = {2008///},
	pages = {3263 - 3272},
	publisher = {Elsevier Ltd.},
	abstract = {Difluorinated p-diphosphino-1,4-benzenediols 2,5-F2-3,6-(R2P)2C6(OH)2-1,4 (2a,b; R = Ph, iPr), their nickel chelate P,O-complexes, and P,P{\textquoteright}-dioxides (3a,b; R = Ph, iPr) were prepd. and characterized.  Reactions of 1,4-difluoro-2,5-dimethoxybenzene with LDA (1:2) at low temps. generated organodilithio intermediates; quenching the reaction mixts. with chlorophosphines ClPR2 produced 1,4-(R2P)2-2,5-difluoro-3,6-dimethoxybenzenes (1a,b; R = Ph, iPr).  Demethylation of 1a-b was accomplished by BBr3, yielding bis(phosphino)hydroquinones 2a-b.  Treating 2a-b with excess hydrogen peroxide produced bis(phosphinyl)hydroquinones 3a-b.  The binucleating properties of 2a were established by the formation of a bimetallic nickel complex upon reaction with Ph2Ni(PMe3)2.  Electrochem. activity of hydroquinones 2a-b and 3a-b was examd. by cyclic voltammetry.  In addn., compds. 2a, 3a and 3b were obtained in cryst. form and characterized by single-crystal x-ray diffraction.  The influence of the fluorine substituents on the compn. of the frontier orbitals of 2a and 3a was examd. by computational methods. [on SciFinder(R)]},
	keywords = {crystal structure diphosphine phosphine oxide hydroxyphenyl fluoro difluorohydroquinone, frontier orbital diphosphine hydroxyphenyl fluoro difluorohydroquinone, mol structure diphosphine phosphine oxide hydroxyphenyl fluoro difluorohydroquinone, nickel chelate complex hydroxyphenylphosphine difluorohydroquinone diphosphine bridged prepn, oxidn potential diphosphine phosphine oxide hydroxyphenyl fluoro benzenediol difluorohydroquinone, phosphine diphosphine hydroxyphenyl fluoro difluorohydroquinone prepn structure},
	isbn = {0022-328X},
	author = {Pignotti, Louis R. and Kongprakaiwoot, Natcharee and Brennessel, William W. and Baltrusaitis, Jonas and Luck, Rudy L. and Urnezius, Eugenijus.}
}
@article {180,
	title = {Characterization and acid-mobilization study of iron-containing mineral dust source materials.},
	journal = {Journal of Geophysical Research, [Atmospheres]},
	volume = {113},
	year = {2008},
	note = {CAPLUS AN 2008:617952(Journal)},
	month = {2008///},
	pages = {D05202/1-D05202/18},
	publisher = {American Geophysical Union},
	abstract = {Processes that solubilize iron in mineral dust aerosol may increase the amt. of iron supplied to ocean surface waters, and thereby stimulate phytoplankton productivity.  In particular, the uptake of acids such as H2SO4 and HNO3 on mineral dust surfaces can produce extremely acidic environments that promote iron dissoln.  Here, four samples that represent source materials for mineral dust (Saudi Beach sand (SB), Inland Saudi sand (IS), Saharan Sand (SS) and China Loess (CL)) and one com. ref. material (Arizona Test Dust (AZTD)) were characterized, and examd. in dissoln. studies in solns. of sulfuric, nitric and hydrochloric acid ranging from pH 1 to 3.  Mossbauer spectroscopy revealed Fe(III) in all samples, whereas SB, CL and AZTD also contained appreciable Fe(II).  Spectra suggest that both Fe(II) and Fe(III) were substituted into aluminosilicates, although CL, AZTD and IS also contained Fe(III) oxide phases.  Total iron soly. measured after 24 h ranged between 4-16\% of the initial iron content for each material, but did not scale with either the sp. surface area or the total iron content of the samples.  Instead, we show that Fe(II)-contg. solid phases such as Fe(II)-substituted aluminosilicates represent a significant, and sometimes dominant, source of sol. Fe in acidic environments.  Results of dissoln. studies also show that the nature of the acid influences iron solubilization, as elevated concns. of nitrate encountered from nitric acid at pH 1 suppressed Fe(II) formation.  We propose a surface-mediated, non-photochem. redox reaction between nitrate and Fe(II), which may contribute to Fe(II)/Fe(III) cycling in the atm. [on SciFinder(R)]},
	keywords = {iron mineral dust source material acid mobilization},
	author = {Cwiertny, David M. and Baltrusaitis, Jonas and Hunter, Gordon J. and Laskin, Alexander and Scherer, Michelle M. and Grassian, Vicki H.}
}
@article {178,
	title = {A study of stacked PECVD silicon nitride films used for surface micromachined membranes.},
	journal = {Thin Solid Films},
	volume = {516},
	year = {2008},
	note = {CAPLUS AN 2008:1086703(Journal)},
	month = {2008///},
	pages = {8788 - 8792},
	publisher = {Elsevier B.V.},
	abstract = {Silicon nitride stacked films contg. three layers differing in mech.-chem. properties are synthesized using plasma-enhanced chem. vapor deposition method from monosilane (SiH4) and ammonia (NH3) mixt.  The compn. is analyzed using XPS and stress is measured using a substrate bending method.  The ability to obtain stacked films with the custom tensile stress in the overall structure was demonstrated by the series of expts.  The tensile stress in the top and bottom films was obtained between 200 and 300 MPa whereas the stress in the middle film could be adjusted from compressive 60 MPa to tensile 300 MPa.  Since the appropriate stress value is important in achieving required mech. properties of the membranes, the results obtained are discussed in the context of surface micromachined membrane structures. [on SciFinder(R)]},
	keywords = {plasma CVD stacked silicon nitride film surface micromachined membrane},
	isbn = {0040-6090},
	author = {Mikolajunas, M. and Kaliasas, R. and Andrulevicius, M. and Grigaliunas, V. and Baltrusaitis, J. and Virzonis, D.}
}
@article {179,
	title = {A thin chromium film formation monitoring method: Monitoring of the early stages.},
	journal = {Thin Solid Films},
	volume = {516},
	year = {2008},
	note = {CAPLUS AN 2008:275961(Journal)},
	month = {2008///},
	pages = {2943 - 2947},
	publisher = {Elsevier B.V.},
	abstract = {A method to monitor thin film deposition on insulating and semiconductive substrates based on the surface cond. measurements is proposed.  This method differs from previous thin film cond. measurement methods by the absence of an external power source.  Instead, it employs natural charges carried by ions and electrons that are present in a vapor that is deposited.  The ability to monitor thin film cond., starting with early nucleation stages up to the formation of the integrally conductive film is shown by a comparison of in-situ recorded voltage changes and ex-situ by XPS and at. force microscopy anal. of the stepwise covered samples.  Repeatability of the exptl. data was within a {\textpm} 25\% interval at the exptl. parameter region where an integrally conductive film starts to form. [on SciFinder(R)]},
	keywords = {chromium thin film formation monitoring surface cond},
	isbn = {0040-6090},
	author = {Jukna, T. and Baltrusaitis, J. and Sinkevicius, V. and Virzonis, D.}
}
@article {182,
	title = {Adsorption of sulfur dioxide on hematite and goethite particle surfaces.},
	journal = {Physical Chemistry Chemical Physics},
	volume = {9},
	year = {2007},
	note = {CAPLUS AN 2007:1196084(Journal)},
	month = {2007///},
	pages = {5542 - 5554},
	publisher = {Royal Society of Chemistry},
	abstract = {The adsorption of sulfur dioxide (SO2) on iron oxide particle surfaces at 296 K has been investigated using XPS.  A custom-designed XPS ultra-high vacuum chamber was coupled to an environmental reaction chamber so that the effects of adsorbed water and mol. oxygen on the reaction of SO2 with iron oxide surfaces could be followed at atmospherically relevant pressures.  In the absence of H2O and O2, exposure of hematite (α-Fe2O3) and goethite (α-FeOOH) to SO2 resulted predominantly in the formation of adsorbed sulfite (SO32-), although evidence for adsorbed sulfate (SO42-) was also found.  At satn., the coverage of adsorbed sulfur species was the same on both α-Fe2O3 and α-FeOOH as detd. from the S2p:Fe2p ratio.  Equivalent satn. coverages and product ratios of sulfite to sulfate were obsd. on these oxide surfaces in the presence of water vapor at pressures between 6 and 18 Torr, corresponding to 28 to 85\% relative humidity (RH), suggesting that water had no effect on the adsorption of SO2.  In contrast, mol. oxygen substantially influenced the interactions of SO2 with iron oxide surfaces, albeit to a much larger extent on α-Fe2O3 relative to α-FeOOH.  For α-Fe2O3, adsorption of SO2 in the presence of mol. oxygen resulted in the quant. formation of SO42- with no detectable SO32-.  Furthermore, mol. oxygen significantly enhanced the extent of SO2 uptake on α-Fe2O3, as indicated by the greater than two-fold increase in the S2p:Fe2p ratio.  Although SO2 uptake is still enhanced on α-Fe2O3 in the presence of mol. oxygen and water, the enhancement factor decreases with increasing RH.  In the case of α-FeOOH, there is an increase in the amt. of SO42- in the presence of mol. oxygen, however, the predominant surface species remained SO32- and there is no enhancement in SO2 uptake as measured by the S2p:Fe2p ratio.  A mechanism involving mol. oxygen activation on oxygen vacancy sites is proposed as a possible explanation for the non-photochem. oxidn. of sulfur dioxide on iron oxide surfaces.  The concn. of these sites depends on the exact environmental conditions of RH. [on SciFinder(R)]},
	keywords = {adsorption sulfur dioxide hematite goethite particle surface},
	isbn = {1463-9076},
	author = {Baltrusaitis, Jonas and Cwiertny, David M. and Grassian, Vicki H.}
}
@conference {183,
	title = {Chemical properties of oxide nanoparticles: surface adsorption studies from gas- and liquid-phase environments.},
	booktitle = {Synthesis, Properties, Applications of Oxide Nanomaterials},
	year = {2007},
	note = {CAPLUS AN 2007:1408672(Conference; General Review)},
	month = {2007///},
	pages = {335 - 351},
	publisher = {John Wiley \& Sons, Inc.},
	organization = {John Wiley \& Sons, Inc.},
	abstract = {A review.  This article is to describe the potential use of ATR-FTIR spectroscopy, which is somewhat unique in that surface adsorption can be investigated at both the nanoparticle oxide/gas and nanoparticle oxide/liq. interfaces.  The mol. nature of oxide nanoparticle surfaces will most likely be different in these two phases.  The quantification of surface adsorption as a function of size could be done with this technique under these different conditions.  The results should be revealing and may provide addnl. insight into the chem. properties of oxide nanoparticles. [on SciFinder(R)]},
	keywords = {review oxide nanoparticle surface adsorption ATR FTIR spectroscopy interface},
	author = {Pettibone, John M. and Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {184,
	title = {FTIR spectroscopy combined with quantum chemical calculations to investigate adsorbed nitrate on aluminum oxide surfaces in the presence and absence of co-adsorbed water.},
	journal = {Physical Chemistry Chemical Physics},
	volume = {9},
	year = {2007},
	note = {CAPLUS AN 2007:1019734(Journal)},
	month = {2007///},
	pages = {4970 - 4980},
	publisher = {Royal Society of Chemistry},
	abstract = {Surface reactions of nitrogen oxides with aluminum oxide particles result in the formation of adsorbed nitrate.  Specifically, when α-Al2O3 and γ-Al2O3 particles are exposed to gas-phase NO2 and HNO3 adsorbed nitrate forms on the surface.  In this study, Fourier transform IR (FTIR) spectroscopy is combined with quantum chem. calcns. to further our understanding of the adsorbed nitrate product on aluminum oxide particle surfaces in the presence and absence of co-adsorbed water at 296 K.  FTIR spectra of adsorbed nitrate on α-Al2O3 and γ-Al2O3 particles are interpreted using calcd. vibrational frequencies of nitrate coordinated to binuclear Al oxide cluster models.  Comparison of the calcd. and exptl. vibrational frequencies of adsorbed nitrate establishes different modes of coordination (monodentate, bidentate and bridging) of the nitrate ion to the surface in the absence of adsorbed water.  In the presence of co-adsorbed water, the nitrate ion becomes fully solvated, as shown by a comparison of the exptl. nitrate IR spectra as a function of relative humidity with the calcd. nitrate vibrational frequencies for binuclear Al cluster compds. which contain both coordinated nitrate ions and water mols.  These calcns. also suggest that adsorbed water can displace nitrate from direct coordination to the surface, leading to an outer-sphere nitrate adsorption complex as well as an inner-sphere complex.  Furthermore, the relative humidity dependence of the spectra suggest that water does not evenly wet the surface even at high relative humidity, as there are open or bare surface sites where nitrate ions are not solvated.  Besides adsorbed monodendate, bidendate, bridging and solvated nitrate, the presence of ion bound nitrate ion, partially solvated nitrate, mol. nitric acid, hydronium ion and H3O+:NO3- ion pairs on the oxide surface are also discussed. [on SciFinder(R)]},
	keywords = {adsorption surface reaction nitrate alumina water coadsorption},
	isbn = {1463-9076},
	author = {Baltrusaitis, Jonas and Schuttlefield, Jennifer and Jensen, Jan H. and Grassian, Vicki H.}
}
@article {185,
	title = {Reactions of sulfur dioxide on calcium carbonate single crystal and particle surfaces at the adsorbed water carbonate interface.},
	journal = {Phys. Chem. Chem. Phys.Physical Chemistry Chemical Physics},
	volume = {9},
	year = {2007},
	note = {CAPLUS AN 2007:608637(Journal)},
	month = {2007///},
	pages = {3011 - 3024},
	publisher = {Royal Society of Chemistry},
	abstract = {Sulfur dioxide reactions with calcium carbonate interfaces at 296 K in the presence and absence of adsorbed water result in the formation of adsorbed sulfite and sulfate.  The extent of reaction is significantly enhanced, approx. five- to ten-fold for particulate and single crystal CaCO3 (calcite), resp., in the presence of adsorbed water between 30 and 85\% RH.  At. force microscopy following the reaction shows that adsorbed water facilitates surface reactivity by enhancing the mobility of surface ions, giving rise to the formation of nanometer sized product crystallites approx. 1 nm in height.  Simultaneous with the formation of these crystallites is pitting and etching of the underlying substrate, which occurs preferentially in the vicinity of monoat. surface steps.  In the absence of water, there is little pitting and no evidence for the formation of crystallites.  X-Ray photoelectron core and valence band spectra confirm the presence of two sulfur adsorbed species, SO2-3 and SO2-4, with nearly equal amts. of SO2-3 and SO2-4 in the absence of adsorbed water and approx. five times more SO2-3 relative to SO2-4 in the presence of adsorbed water.  From these data, it is proposed that the nanometer-sized crystallites are composed primarily of CaSO3. [on SciFinder(R)]},
	keywords = {reaction sulfur dioxide calcium carbonate single crystal adsorbed water},
	isbn = {1463-9076},
	author = {Baltrusaitis, Jonas and Usher, Courtney R. and Grassian, Vicki H.}
}
@article {186,
	title = {Sialolith characterization by scanning electron microscopy and X-ray photoelectron spectroscopy.},
	journal = {ScanningScanning},
	volume = {29},
	year = {2007},
	note = {CAPLUS AN 2007:1306729(Journal)},
	month = {2007///},
	pages = {206 - 210},
	publisher = {John Wiley \& Sons Ltd.},
	abstract = {The objective of this study has been to characterize sialolith, a calcium phosphate deposit that develops in the human oral cavity, by high-resoln. field emission SEM and XPS.  The morphol. and chem. data obtained helped in the detn. of their formation mechanism in salivary glands.  Sialoliths in the submandibular salivary glands may arise secondary to sialodenitis, but not via a luminal org. nidus.  We believe this is the first study that characterizes a sialolith by XPS. [on SciFinder(R)]},
	keywords = {sialolith SEM X ray photoelectron spectroscopy},
	isbn = {0161-0457},
	author = {Giray, C. Bahadir and Dogan, Meral and Akalin, Ayse and Baltrusaitis, Jonas and Chan, Daniel C. N. and Skinner, H. Catherine W. and Dogan, A. Umran.}
}
@article {187,
	title = {Spatially Resolved Product Formation in the Reaction of Formic Acid with Calcium Carbonate (101̅4): The Role of Step Density and Adsorbed Water-Assisted Ion Mobility.},
	journal = {Langmuir},
	volume = {23},
	year = {2007},
	note = {CAPLUS AN 2007:521222(Journal)},
	month = {2007},
	pages = {7039 - 7045},
	publisher = {American Chemical Society},
	abstract = {The reaction of calcium carbonate (101̅4) single-crystal surfaces with formic acid (HCOOH) vapor was investigated using at. force microscopy (AFM) and XPS.  AFM images indicate the reaction produces rather well-defined crystallites, preferentially at step edges and at distinct angles to one another and mirroring the rhombohedral structure of the calcite surface, while exposing unreacted carbonate surface.  The size and surface d. of the crystallites depend upon substrate step d., exposure time, and relative humidity.  XPS data confirmed the crystallite compn. as the expected calcium formate product.  The AFM images show erosion and pit formation of the calcite surface in the vicinity of the product crystallites, clearly providing the spatially resolved characterization of the source of Ca ions.  AFM expts. exploring the effects of water vapor on the reacted surface show that the calcium formate crystallites are mobile under conditions of high relative humidity, combining to form larger crystallites and nanometer-sized crystals with an orthorhombohedral habit consistent with the α form, as confirmed by X-ray diffraction.  The implications for the reactions described here are discussed. [on SciFinder(R)]},
	keywords = {step density ion mobility reaction formic acid calcium carbonate},
	isbn = {0743-7463},
	author = {Usher, Courtney R. and Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {181,
	title = {A Spectroscopic Study of Atmospherically Relevant Concentrated Aqueous Nitrate Solutions.},
	journal = {J. Phys. Chem. AJournal of Physical Chemistry A},
	volume = {111},
	year = {2007},
	note = {CAPLUS AN 2007:8813(Journal)},
	month = {2007///},
	pages = {544 - 548},
	publisher = {American Chemical Society},
	abstract = {Concd. aq. NO3- aerosols are present in the earth atm. due to heterogeneous reactions of sea salt and mineral dust aerosol with NOx (e.g., NO2, NO3, HNO3, N2O5).  Since the water content of these aerosols depends on relative humidity (RH), the compn. and NO3- concn. also depends on RH.  Unlike the original aerosols, aq. NO3- aerosols are photochem. active at solar wavelengths.  To better understand the NO3- chromophore in concd. aq. NO3- aerosols, the attenuated total reflection-Fourier transform IR spectroscopic (ATR-FTIR) and UV/VIS spectra of concd. NO3- solns. were measured over a large concn. range.  Both ATR-FTIR and UV/VIS spectroscopy showed changes in NO3- spectra with increasing concn.  Ab-initio calcns. were used to aid in assigning and interpreting these spectra.  From these data, it was predicted that aq. NO3- aerosols photoreactivity will strongly depend on RH since the mol. and electronic structure of NO3- becomes increasingly perturbed from that of the isolated ion in highly concd. atmospherically-relevant solns. [on SciFinder(R)]},
	keywords = {attenuated total reflectance Fourier transform IR spectroscopy analysis, particulate air pollution nitrate aerosol spectroscopic assessment, sea salt mineral dust atm reaction nitrate aerosol formation, spectroscopic assessment atm relevant concd aq nitrate soln, UV visible spectroscopy atm nitrate aerosol analysis},
	isbn = {1089-5639},
	author = {Hudson, Paula K. and Schwarz, Jaclyn and Baltrusaitis, Jonas and Gibson, Elizabeth R. and Grassian, Vicki H.}
}
@article {188,
	title = {Surface Reactions of Carbon Dioxide at the Adsorbed Water-Oxide Interface.},
	journal = {J. Phys. Chem. CJournal of Physical Chemistry C},
	volume = {111},
	year = {2007},
	note = {CAPLUS AN 2007:1033025(Journal)},
	month = {2007///},
	pages = {14870 - 14880},
	publisher = {American Chemical Society},
	abstract = {In this study, FTIR spectroscopy is used to investigate surface reactions of carbon dioxide at the adsorbed water-oxide interface.  In particular, FTIR spectra following CO2 adsorption in the presence and absence of coadsorbed water on hydroxylated nanoparticulate Fe2O3 and γ-Al2O3 at 296 K are reported.  In the absence of coadsorbed water, CO2 reacts with surface O-H groups to form adsorbed bicarbonate on the surface.  In the presence of coadsorbed water, this reaction is blocked as water hydrogen bonds to the reactive M-OH sites.  Instead, CO2 reacts with adsorbed water to yield adsorbed carbonate and protonated surface hydroxyl groups, M-OH2+, through a proposed carbonic acid intermediate.  The carbonate spectra recorded between 10 and 90\% RH are nearly identical to that of carbonate adsorbed on these surfaces in the presence of the liq. water.  FTIR isotope studies show that there is extensive exchange between oxygen in adsorbed water and oxygen atoms in both adsorbed carbonate and gas-phase carbon dioxide.  On the basis of these exptl. results along with quantum chem. calcns., a mechanism is proposed for surface reactions of carbon dioxide at the adsorbed water-oxide interface. [on SciFinder(R)]},
	keywords = {surface reaction carbon dioxide adsorbed water oxide interface},
	isbn = {1932-7447},
	author = {Baltrusaitis, Jonas and Schuttlefield, Jennifer D. and Zeitler, Elizabeth and Jensen, Jan H. and Grassian, Vicki H.}
}
@article {189,
	title = {FTIR Spectroscopy Combined with Isotope Labeling and Quantum Chemical Calculations to Investigate Adsorbed Bicarbonate Formation Following Reaction of Carbon Dioxide with Surface Hydroxyl Groups on Fe2O3 and Al2O3.},
	journal = {Journal of Physical Chemistry B},
	volume = {110},
	year = {2006},
	note = {CAPLUS AN 2006:504389(Journal)},
	month = {2006///},
	pages = {12005 - 12016},
	publisher = {American Chemical Society},
	abstract = {FTIR spectroscopy combined with isotope labeling expts. and quantum chem. calcns. is used to investigate the adsorption of carbon dioxide on hydroxylated metal oxide surfaces.  In particular, transmission FTIR spectra following CO2 adsorption on hydroxylated nanoparticulate Fe2O3, α-Al2O3, and γ-Al2O3 particles at 296 K are reported.  As expected, reaction of CO2 with these surfaces results in the formation of adsorbed bicarbonate and carbonate.  In this study, the vibrational spectrum of the bicarbonate product is analyzed in detail through the use of isotope labeling expts. and quantum chem. calcns.  The exptl. and calcd. vibrational frequencies of adsorbed HC16O3-, DC16O3-, HC18O3-, HC16O18O2-, and HC18O16O2- indicate that bicarbonate bonds to the surface in a bridged structure.  There is some evidence from the mixed isotope expts. that following initial nucleophilic attack of OH, the formation of the final bicarbonate structure involves a proton transfer.  On the basis of energetic considerations, the proton transfer mechanism most likely occurs through an intermol. process involving either coadsorbed hydroxyl groups and/or carbonate. [on SciFinder(R)]},
	keywords = {adsorption carbon dioxide hydroxylated metal oxide surface chemisorption},
	isbn = {1520-6106},
	author = {Baltrusaitis, Jonas and Jensen, Jan H. and Grassian, Vicki H.}
}
@article {190,
	title = {Inactivation of NADPH oxidase organizer 1 Results in Severe Imbalance.},
	journal = {Current Biology},
	volume = {16},
	year = {2006},
	note = {CAPLUS AN 2006:87961(Journal)},
	month = {2006///},
	pages = {208 - 213},
	publisher = {Cell Press},
	abstract = {Otoconia are biominerals of the vestibular system that are indispensable for the perception of gravity.  Despite their importance, the process of otoconia genesis is largely unknown.  Reactive oxygen species (ROS) have been recognized for their toxic effects in antimicrobial host defense as well as in aging and carcinogenesis.  Enzymes evolved for ROS prodn. belong to the recently discovered NADPH oxidase (Nox) enzyme family.  Here we show that the inactivation of a regulatory subunit, NADPH oxidase organizer 1 (Noxo1), resulted in the severe balance deficit seen in the spontaneous mutant "head slant" (hslt) mice whose phenotype was rescued by Noxo1 transgenes.  Wild-type Noxo1 was expressed in the vestibular and cochlear epithelia and was required for ROS prodn. by an oxidase complex.  In contrast, the hslt mutation of Noxo1 was biochem. inactive and led to an arrest of otoconia genesis, characterized by a complete lack of calcium carbonate mineralization and an accumulation of otoconial protein, otoconin-90/95 (OC-90/95).  These results suggest that ROS generated by a Noxo1-dependent vestibular oxidase are crit. for otoconia formation and may be required for interactions among otoconial components.  Noxo1 mutants implicate a constructive developmental role for ROS, in contrast to their previously described toxic effects. [on SciFinder(R)]},
	keywords = {NADPH oxidase organizer 1 otoconia formation balance deficit},
	isbn = {0960-9822},
	author = {Kiss, Peter J. and Knisz, Judit and Zhang, Yuzhou and Baltrusaitis, Jonas and Sigmund, Curt D. and Thalmann, Ruediger and Smith, Richard J. H. and Verpy, Elisabeth and Banfi, Botond.}
}
@article {191,
	title = {Heterogeneous uptake and reactivity of formic acid on calcium carbonate particles: a Knudsen cell reactor, FTIR and SEM study.},
	journal = {Physical Chemistry Chemical Physics},
	volume = {7},
	year = {2005},
	note = {CAPLUS AN 2005:1066074(Journal)},
	month = {2005///},
	pages = {3587 - 3595},
	publisher = {Royal Society of Chemistry},
	abstract = {The heterogeneous uptake and reactivity of formic acid (HCOOH), a common gas-phase org. acid found in the environment, on calcium carbonate (CaCO3) particles have been investigated using a Knudsen cell reactor, Fourier transform IR (FTIR) spectroscopy and SEM.  FTIR measurements show that the adsorption of formic acid on the surface of calcium carbonate results in the formation of calcium formate.  Besides calcium formate, carbonic acid is also a reaction product under dry conditions (<1\% RH).  Under dry conditions and at low pressures, the initial uptake coeff. of formic acid on CaCO3 particles is measured to be 3 {\textpm} 1 {\texttimes} 10-3 and decreases as the surface sats. with adsorbed products.  The max. surface coverage of formic acid under dry conditions is detd. to be (3 {\textpm} 1) {\texttimes} 1014 mols. cm-2.  Under humidified conditions (RH >10\%), adsorbed water on the surface of the carbonate particles participates in the surface reactivity of these particles, which results in the enhanced uptake kinetics and extent of reaction of this org. acid on CaCO3 as well as opens up several new reaction pathways.  These reaction pathways include: (i) the water-assisted dissocn. of carbonic acid to CO2 and H2O and (ii) the formation of calcium formate islands and crystallites, as evident by SEM images.  The results presented here show that adsorbed water plays a potentially important role in the surface chem. of gas-phase org. acids on calcium carbonate particles. [on SciFinder(R)]},
	keywords = {adsorption chemisorption formic acid calcium carbonate particle},
	isbn = {1463-9076},
	author = {Al-Hosney, Hashim A. and Carlos-Cuellar, Sofia and Baltrusaitis, Jonas and Grassian, Vicki H.}
}
@article {192,
	title = {Surface reactions of carbon dioxide at the adsorbed water-iron oxide interface.},
	journal = {Journal of Physical Chemistry B},
	volume = {109},
	year = {2005},
	note = {CAPLUS AN 2005:466038(Journal)},
	month = {2005///},
	pages = {12227 - 12230},
	publisher = {American Chemical Society},
	abstract = {Despite the fact that CO2 is an abundant atm. gas with profound environmental implications, there is little information on the reaction of CO2 at the adsorbed water-oxide interface.  In this study, the chem. of CO2 at the adsorbed water-iron oxide interface was investigated with FTIR spectroscopy.  As shown here, the thin water layer on the iron oxide surface plays an important role in the surface chem. of CO2.  In particular, adsorbed water enhances CO2 uptake, undergoes isotope exchange with CO2 in O(18)-labeled expts., and influences the chem. nature of the predominant adsorbed product on the surface from bicarbonate to carbonate.  The resultant thin water film is acidic in nature from the reaction of CO2.  The IR spectrum recorded of adsorbed carbonate at the adsorbed water-iron oxide interface is remarkably similar to that at the bulk liq. water-iron oxide interface.  Since reactions in thin water films estd. to be ≈2 layers will play a role in a no. of environmental processes, it is essential to understand the chem. of these "wet" interfaces with atm. gases. [on SciFinder(R)]},
	keywords = {carbon dioxide surface reaction water adsorbate iron oxide},
	isbn = {1520-6106},
	author = {Baltrusaitis, Jonas and Grassian, Vicki H.}
}
