Presented here is a first principles based molecular modeling investigation of the effects of conformational changes in the backbone on hydration and proton transfer in the short-side-chain perfluorosulfonic acid fuel cell membrane under minimal hydration conditions. Extensive searches for minimum energy structures (at the B3LYP/6-311G⁎⁎ level) of the two pendant side chain polymeric fragment: ...

Biphenyl metabolism in Aspergillus toxicarius occurs by successive hydroxylations in the 4- and 4'-positions, followed by conjugation with sulfate to produce 4-hydroxybiphenyl-O-sulfonic acid and 4,4'-dihydroxybiphenyl-O-sulfonic acid. The hydroxylation reactions normally occur only after a prolonged lag period after which the appearance of the monohydroxylated compound precedes the dihydroxyla...

Core–shell zirconia-coated magnetite nanoparticle bearing sulfonic acid groups (nano-Fe3O4@ZrO2-H3PO4) have been prepared and used as an efficient acid catalyst in the synthesis of fluoroquinolons by the direct amination of 7-halo-6- fluoroquinolone-3-carboxylic acids with variety of piperazine derivatives and (4aR,7aR)-octahydro-1H-pyrrolo...

Core–shell zirconia-coated magnetite nanoparticle bearing sulfonic acid groups (nano-Fe3O4@ZrO2-H3PO4) have been prepared and used as an efficient acid catalyst in the synthesis of fluoroquinolons by the direct amination of 7-halo-6- fluoroquinolone-3-carboxylic acids with variety of piperazine derivatives and (4aR,7aR)-octahydro-1H-pyrrolo...

The primary objective of this paper is to enhance the water-vapor-adsorption capacity of multiwall-carbon-nanotube (MWCNT) from nitrogen gas by grafting sulfonic acid groups and doping palladium nanoparticles into the adsorbent. MWCNT has been selected to be modified because of having homogeneous adsorption energy compared to silica gel. As a result, it is capable of creating isotherm having sh...

In the crystal structure of the title hydrated quinolinium salt of ferron (8-hy-droxy-7-iodo-quinoline-5-sulfonic acid), C9H7N(+)·C9H5INO4S(-)·0.8H2O, the quinolinium cation is fully disordered over two sites (occupancy factors fixed at 0.63 and 0.37) lying essentially within a common plane and with the ferron anions forming π-π-associated stacks down the b axis [minimum ring centroid separatio...

The ability of the electron transport particulate fraction of Azotobacter vinelandii strain O to oxidize tetramethyl-p-phenylenediamine (TMPD) and p-phenylenediamine (PPD) was examined in detail. The highest specific activity for TMPD and PPD oxidation concentrated in the A. vinelandii O R(3) fraction. The A. vinelandii O R(3) fraction was used to develop a standard manometric assay which gave ...

An iron-catalyzed diastereoselective intermolecular olefin amino-oxygenation reaction is reported, which proceeds via an iron-nitrenoid generated by the N-O bond cleavage of a functionalized hydroxylamine. In this reaction, a bench-stable hydroxylamine derivative is used as the amination reagent and oxidant. This method tolerates a range of synthetically valuable substrates that have been all i...

A rapid and chemoselective method for the N-formylation of structurally diverse anilines with formic acid using nanoalumina sulfonic acid (NASA) at 70oC under solvent-free condition has been developed. The catalyst was found to be compatible with different functional groups and the formylation proceeded smoothly with anilines bearing electron withdrawing as well as electron donating substituents.