Hybrid density functional theory for homopolymer mixtures confined in a selective nanoslit
Article Abstract:
Polymer density function theory (DFT) and single-chain molecular simulation is integrated to develop a hybrid DFT for homopolymer mixtures confined in a selective nanoslit. It is shown that the polymer-slit interaction has a large effect on the density profiles and partition coefficients, but has a small effect on the average sizes and percentages of the configurations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Microsecond melting of a folding intermediate in a coiled-coil peptide, monitored by T-jump/UV Raman spectroscopy
Article Abstract:
A truncated version of the GCN4 coiled-coil peptide was investigated by ultraviolet resonance Raman (UVRR) spectroscopy with 198 nm excitation, where amide modes are optimally enhanced. The hydrated regions of the coiled-coil peptide structure was found to melt at much lower temperature reflecting stability of the tightly bound regions from which water was excluded.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Time-resolved resonance Raman Study of HbA with 220 nm excitation: Probing phenylalanine
Article Abstract:
Different UV wavelengths for the resonant Raman excitation of hemoglobin in its two affinity states (Tand R) is explored. Changes in the T - R difference spectra as a function of excitation wavelength are reported.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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