Cation-[pi] interactions and oxidative effects on [Cu.sup.+] and [Cu.sup.2+] binding to Phe, Tyr, Trp, and His amino acids in the gas phase: Insights from first-principles calculations
Article Abstract:
The gas-phase binding chemistry between [Cu.sup.+] and [Cu.sup.2+] transition metal cations and the four natural aromatic amino acids (A[A.sub.arom] = phenylalanine, tyrosine, tryptophane, and histidine) are analyzed by using density functional theory (DFT) and CCSD(T) post Hartree-Fock calculations. The computed binding energies for [Cu.sup.+]-A[A.sub.arom] and [Cu.sup.2+]A[A.sub.arom] system are computed and the order found for the single charged systems is in good agreement with experimental data.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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In situ FTIR spectroscopy study of the break-in phenomenon observed for PPy/PVS films in acetonitrile
Article Abstract:
The in situ Fourier transform infrared (in situ (FTIR) technique is used to investigate the break-in phenomenon observed for polypyrrole/poly(vinyl sulfonate) (PPy/PVS) films in acetonitrile containing 0.1 M LiClO4. In situ FTIR spectra has confirmed that the IR active PPy chains maintain the same structure, whereas the in situ FTIR spectra obtained for PPy/ClO4 films has pointed to a steady-state behavior form the very early voltammetric scans, in good agreement with voltametric results.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Pyrene-terminated phenylenethynylene rigid linkers anchored to metal oxide nanoparticles
Article Abstract:
The synthesis and photophysical properties of a series of conjugated pyrene-terminated phenylenethynylene (PE) rigid linkers, meta and para, anchored to metal oxide nanoparticles are described. The pyrene unit has served as a probe for surface aggregation effects and to study the effect of excimer on charge injection.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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