<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Devassy, Biju M.</style></author><author><style face="normal" font="default" size="100%">Lefebvre, F.</style></author><author><style face="normal" font="default" size="100%">Halligudi, Shivaraj B.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Zirconia-supported 12-tungstophosphoric acid as a solid catalyst for the synthesis of linear alkyl benzenes</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Catalysis</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">12-tungstophosphoric acid</style></keyword><keyword><style  face="normal" font="default" size="100%">linear alkyl benzene</style></keyword><keyword><style  face="normal" font="default" size="100%">solvent effect</style></keyword><keyword><style  face="normal" font="default" size="100%">Zirconia</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2005</style></year><pub-dates><date><style  face="normal" font="default" size="100%">APR</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">1</style></number><publisher><style face="normal" font="default" size="100%">ACADEMIC PRESS INC ELSEVIER SCIENCE</style></publisher><pub-location><style face="normal" font="default" size="100%">525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA</style></pub-location><volume><style face="normal" font="default" size="100%">231</style></volume><pages><style face="normal" font="default" size="100%">1-10</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The liquid-phase alkylation of benzene with 1-octene and 1-dodecene was investigated with zirconia-supported 12-tungstophosphoric acid (TPA) as catalysts. We prepared the catalysts, with different TPA loading (5-20 wt% calcined at 750 degrees C) and calcination temperatures (15 wt% calcined from 650 to 850 degrees C), by suspending hydrous zirconia in a methanol solution of TPA, followed by drying and calcination. These catalysts were characterized by X-ray diffraction, DTG-DTA, FTIR pyridine adsorption, NH3-TPD, and P-31, MAS NMR spectroscopy measurements. The catalyst with optimum TPA loading (15%) and calcination temperature (750 degrees C) was prepared in different solvents and characterized by P-31 MAS NMR spectroscopy. The XRD results indicate that TPA stabilizes the tetragonal phase of zirconia. The catalysts show both Bronsted and Lewis acidity, and 15% TPA on zirconia calcined at 750 degrees C shows the highest acidity. P-31 MAS NMR spectra show two types of phosphorous species: one is the Keggin unit and the other is the decomposition product of TPA. The relative amount of each depends on TPA loading, calcination temperature, and the solvent used for the catalyst preparation. Under reaction conditions of 84 degrees C and a benzene/1-olefin molar ratio of 10 (time 1 h), the most active catalyst, 15% TPA, calcined at 750 degrees C, gave more than 98% olefin conversion with selectivity for 2-phenyl octane (53.5%) and 2-phenyl dodecane (47%). (c) 2004 Elsevier Inc. All rights reserved.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">7.354</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Gaikwad, Abaji G.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Studies of anion transport through supported liquid membrane</style></title><secondary-title><style face="normal" font="default" size="100%">Analytical Letters</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Anions</style></keyword><keyword><style  face="normal" font="default" size="100%">cellulose triacetate membrane</style></keyword><keyword><style  face="normal" font="default" size="100%">solvent effect</style></keyword><keyword><style  face="normal" font="default" size="100%">stability of supported liquid membrane</style></keyword><keyword><style  face="normal" font="default" size="100%">two-channel membrane system</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2009</style></year><pub-dates><date><style  face="normal" font="default" size="100%">NOV</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">18</style></number><publisher><style face="normal" font="default" size="100%">TAYLOR &amp; FRANCIS INC</style></publisher><pub-location><style face="normal" font="default" size="100%">325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA</style></pub-location><volume><style face="normal" font="default" size="100%">42</style></volume><pages><style face="normal" font="default" size="100%">PII 916769949</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Transport studies of anions were investigated through cellulose triacetate supported liquid membrane. The experimental variables explored were concentration of anions, sodium hydroxide, and stirring speed. The two-channel membrane system has been explored for the transport of carbonate ions from source to receiving phases. Carbonate ions are selectively transported through the cellulose triacetate supported liquid membrane in comparison with that of nitrate and sulfate. Sulfate and nitrate anions are strongly held in the cellulose triacetate membrane, and then stripped out later. Carbonate ions are loosely bound to the cellulose triacetate membrane and stripped out earlier.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">18</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">0.920</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Kar, Rahul</style></author><author><style face="normal" font="default" size="100%">Pal, Sourav</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Effect of solvents having different dielectric constants on reactivity: a conceptual DFT approach</style></title><secondary-title><style face="normal" font="default" size="100%">International Journal of Quantum Chemistry</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">COSMO</style></keyword><keyword><style  face="normal" font="default" size="100%">DFT</style></keyword><keyword><style  face="normal" font="default" size="100%">dielectric constant</style></keyword><keyword><style  face="normal" font="default" size="100%">Reactivity descriptors</style></keyword><keyword><style  face="normal" font="default" size="100%">solvent effect</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2010</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">9</style></number><publisher><style face="normal" font="default" size="100%">WILEY-BLACKWELL</style></publisher><pub-location><style face="normal" font="default" size="100%">111 RIVER ST, HOBOKEN 07030-5774, NJ USA</style></pub-location><volume><style face="normal" font="default" size="100%">110</style></volume><pages><style face="normal" font="default" size="100%">1642-1647</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Conceptual density functional theory is exploited to understand the reactivity in a medium of solvents with increasing dielectric constants. Aprotic as well as protic solvents are used for this study. It is found that the global parameters, such as chemical potential and hardness, decrease from gas phase to solvent phase with increasing dielectric constant. However, it is observed that the Fukui functions of the reactive atoms increase significantly with the dielectric constants of the aprotic solvents while for the protic solvents the variation of the reactivity indices is insignificant. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 110: 1642-1647, 2010&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">9</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">1.302</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Porwal, Govind</style></author><author><style face="normal" font="default" size="100%">Dandekar, Pallavi</style></author><author><style face="normal" font="default" size="100%">Gorai, Twinkle</style></author><author><style face="normal" font="default" size="100%">Khan, Tuhin Suvra</style></author><author><style face="normal" font="default" size="100%">Haider, M. Ali</style></author><author><style face="normal" font="default" size="100%">Gupta, Shelaka</style></author><author><style face="normal" font="default" size="100%">Vinod, C. P.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Facet dependence for solvent-modulated proton-coupled electron transfer in furfural acetalization on Pd nanostructures</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Engineering Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Acetalization</style></keyword><keyword><style  face="normal" font="default" size="100%">DFT</style></keyword><keyword><style  face="normal" font="default" size="100%">facet-dependent reactivity</style></keyword><keyword><style  face="normal" font="default" size="100%">furfural</style></keyword><keyword><style  face="normal" font="default" size="100%">Furfural dialkyl acetals</style></keyword><keyword><style  face="normal" font="default" size="100%">solvent effect</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUN</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">514</style></volume><pages><style face="normal" font="default" size="100%">163159</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	Furfural dialkyl acetals prepared via acetalization reaction of furfural and alcohols are promising biofuels. Using defined experiments and density functional theory (DFT) simulations, the structure-dependent activity and selectivity for furfural acetalization reaction in the presence of alcohols (methanol, ethanol, propanol and butanol) as solvents was studied over well-defined supported Pd nanostructures (octahedra (111), cubes (100) and spheres (both (111) and (100)). Pd cubes supported over TiO2 in the presence of ethanol as a solvent (at 303 K and balloon pressure H-2) exhibited 78 % conversion and 100 % selectivity for furfural diethyl acetal product in a short time (similar to 180 min). In contrast, Pd octahedra (111) and Pd spheres showed low conversions (18 % and 6 %) at the same reaction conditions. Interestingly, when used as a solvent, methanol showed the highest conversion (90 %) and selectivity (100 %) for furfural acetalization over Pd cubes. DFT simulations provided mechanistic insight into the reactivity of the two different Pd facets (111) and (100) in the presence of alcohol molecules towards furfural acetalization reaction. A three-step reaction mechanism was proposed for furfural acetalization with alcohols: (i) alcohol hydroxyl-dehydrogenation (ii) hydrogenation of furfural carbonyl oxygen, and (iii) formation of hemiacetal product. For all three steps, Pd (100) exhibited low activation barriers (51.6, 26.7 and 76.2 kJ/mol) compared to Pd (111) surface (78.6, 35.8 and 92.2 kJ/mol) in the presence of ethanol. The activation barriers for the above steps were further reduced to 47.8, 23.9 and 64.6 kJ/mol on Pd (100) in the presence of methanol, explaining the experimental high reactivity aided by methanol. DFT calculations elucidated the role of the hydrogen bonding network between the solvent molecules and adsorbate, enabling proton-coupled electron transfer for accelerated reactions.&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
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	13.2&lt;/p&gt;
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