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Chemicals, plastics and rubber industries

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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.

Author: Jianwen Jiang, Ying Hu, Jun Cai, Zhencheng Ye, Honglai Liu
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
Molecular structure, Density functionals, Density functional theory

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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.

Author: Spiro, Thomas G., Case, Martin A., Balakrishnan, Gurusamy, Ying Hu
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
DNA binding proteins, Spectra, Raman spectroscopy, Dehydration (Chemical process)

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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.

Author: Spiro, Thomas G., Kneipp, Janina, Balakrishnan, Gurusamy
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Hemoglobin, Hemoglobins, Raman effect, Phenylalanine

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Subjects list: Analysis, Structure, Chemical properties
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