Calculation of structural behavior of indirect NMR spin-spin couplings in the backbone of nucleic acids

Article Abstract:

A study reports that calculated indirect spin-spin coupling constants between [super 31]P, [super13]C, and [super 1]H nuclei could be used for qualitative determination of distinct structural patterns of the nucleic acids backbone. The calculation protocol, including the effect of water solvent used in the study, reveals a good performance that results in overall good correlation with a number of experiments from the literature.

Biological Product (except Diagnostic) Manufacturing, Drugs, Nucleic Acids, Quantum theory, Quantum mechanics, Magnetic properties

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Charge transfer through a protein-nano junction

Article Abstract:

The problem of charge transfer (CT) between a nanosized inorganic system and a protein is explained from a theoretical and numerical perspective. A novel efficient protein CT mechanism is described and the predicted rates are comparable to those obtained for short-range electron tunneling through covalent bonds, the fastest ground-state CT process known for proteins.

Nanotechnology, Charge transfer, Fullerenes, X-ray analysis

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Mo magic angle spinning NMR at high field: Improved measurements and structural analysis of the quadrupole interaction in monomolybdates and isopolymolybdates

Article Abstract:

Mo quadruple couplings in various molydbates are measured easily and accurately with magic angle spinning (MAS) NMR under a directing field of 19.6 T. It is predicted that Mo MAS NMR could evolve as a routine characterization tool for ill-defined structures as supported molybdates in catalysis.

Spectra

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