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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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