Ab initio study of the two-photon circular dichroism in chiral natural amino acids

Article Abstract:

Two-photon circular dichroism spectra calculated within the density functional theory approximation in the absorption region, where the lowest electronic states are seen are described for the essential amino acids in the gas phase. The contributions of the electric dipole, magnetic dipole and electric quadrupole transitions to the rotational strengths are analyzed and the fingerprinting capabilities of the two-photon circular dichroism spectroscopy are highlighted.

Usage, Density functionals, Density functional theory, Circular dichroism, Report

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Photooxidation of amino acids and proteins mediated by novel 1,8-naphthalimide derivatives

Article Abstract:

The ground- and excited-state interactions of N-(2-ethanoic acid)-1,8-naphthalimide (NI-ala), along with tryptophan and tyrosine-substituted 1,8-naphthalimide derivatives (NI-trp and NI-tyr), with amino acids and native proteins are investigated in aqueous buffered solution. Results suggest that the studies have identified the potential oxidative targets in native proteins and demonstrate the utility of naphthalimide derivatives to photomodify native proteins.

Oxidation-reduction reaction, Oxidation-reduction reactions, Chemistry, Physical and theoretical, Physical chemistry

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Theoretical prediction on efficient formation of amino acid via an aza-wittig reaction

Article Abstract:

Ab initio calculations are used to theoretically study the intermolecular aza-Wittig reaction. This provides a new way in the synthesizing of amino acids.

Analysis, Chemical reactions, Chemical bonds

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