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.

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.

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.

Hemoglobin, Hemoglobins, Raman effect, Phenylalanine

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