@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 {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 {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 {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 {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 {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.}
}
