Influence of Cu(super +) on the RS-NO bond dissociation energy of S-nitrosothiols

Article Abstract:

A study uses density functional theory methods to investigate the role and effects of Cu(super +1) binding to the S and N centers of the -SNO functional group within S-nitrosothiols (RSNOs), on the lability of the NO group. The binding of Cu(super +1) to the N center is found to dramatically shorten and strengthen the S-N bond with a concomitant lengthening of the N-O bond, suggesting stabilization of the RSNOs against NO release.

Sulfur, Copper compounds, Sulphur

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[super 15]N Nuclear magnetic resonance studies of acid-base properties of pyridoxal-5'-phosphate aldimines in aqueous solution

Article Abstract:

[super 15]N nuclear magnetic resonance (NMR) spectroscopy is used to investigate the acid-base properties of pyridoxal-5'-phosphate (PLP) in aqueous solution. The results have shown that the intramolecular OHN hydrogen bond in the alidmines is most likely to be absent in aqueous solution and the basicity of the aldimine nitrogen is very low without the double negatively charged phosphate group.

Analysis, Nuclear magnetic resonance spectroscopy, Spectra, Hydrogen bonding, Hydrogen bonds, Vitamin B6, Pyridoxine

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Second half-reaction of nitric oxide synthase: Computation insights into the initial step and key proposed intermediate

Article Abstract:

The initial step in the second half-reaction of the mechanism of nitric oxide synthases (NOSs) is investigated by employing density functional theory method. A detailed and comprehensive density functional theory (DFT) based-investigation on the key initial step of the second half-reaction of the NOS is performed.

Industrial Gas Manufacturing, Industrial gases, Nitric Oxide, Usage, Cellular control mechanisms, Cell regulation

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