We investigate the OH-stretching overtone dynamics of fluorosulfonic acid (FSO(3)H) and chlorosulfonic acid (ClSO(3)H) using classical trajectory simulations. The initial nuclear coordinates and momenta for the trajectories are sampled from anharmonic correlation-corrected vibrational self consistent field (CC-VSCF) wavefunctions. We consider both OH-stretching overtone states and combination s...

Titanium raw materials are widely used for the synthesis of various functional – sorbents radionuclides and rare earth elements, additives, filler pigments, etc. Since most titanium concentrates imported, in line with import substitution program, production titanite concentrate from apatite-nepheline ores Khibiny deposits is a promising trend supplying national industry materials. The article p...

A new self-assembled and self-healing class of metal free, recyclable, heterogeneous Brønsted acid catalysts has been developed by the protonation aniline derivatives (tetrakis(4-aminophenyl)methane, leuco-crystal violet, benzidine, p-phenylenediamine) with aromatic sulfonic acids (tetrakis(phenyl-4-sulfonic acid)methane, 2,6-naphthalenedisulfonic acid). As a result, five three-dimensional crys...

In this discussion paper, the transition from long-chain poly- and perfluorinated alkyl substances (PFASs) to fluorinated alternatives is addressed. Long-chain PFASs include perfluoroalkyl carboxylic acids (PFCAs) with 7 or more perfluorinated carbons, perfluoroalkyl sulfonic acids (PFSAs) with 6 or more perfluorinated carbons, and their precursors. Because long-chain PFASs have been found to b...

BACKGROUND Perfluorinated chemicals (PFCs) have been widely used and have emerged as important food contaminants. A recent study on pregnant women suggested that PFC exposure was associated with a longer time to pregnancy (TTP). We examined the association between serum concentrations of PFCs in females and TTP in 222 Danish first-time pregnancy planners during the years 1992-1995. METHODS Th...

Laboratory experiments were performed to evaluate the use of electrochemical treatment for the decomposition of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS), as well as other perfluoroalkyl acids (PFAAs), in aqueous film forming foam (AFFF)-impacted groundwater collected from a former firefighter training area and PFAA-spiked synthetic groundwater. Using a commercially...

Inflammatory bowel disease is associated with inducible nitric oxide synthase (iNOS) expression, oxidative and nitrosative stress, and leukocyte infiltration in the colon. Here, we investigate the effects of the selective iNOS-inhibitor (S)-2-amino-(1-iminoethylamino)-5-thiopentanoic acid (GW274150) on the development of experimental colitis induced by dinitrobenzene sulfonic acid. When compare...

A simple, efficient, and environmentally friendly method has been developed for the synthesis of a series of tricyclic fused pyrazolopyranopyrimidines via a one-pot three-component reaction of barbituric acids, aromatic aldehydes, and 3-methyl-5-pyrazolone in the presence of SBA-Pr-SO3H. SBA-15 mesoporous silica material functionalized with propyl sulfonic acid groups was used as a heterogeneou...