Structural disorder of the CD3[zeta] transmembrane domain studied with 2D IR spectroscopy and molecular dynamics simulations

Article Abstract:

2D IR spectroscopy and 1-13C=18O isotope labeling was used to measure the vibrational dynamics of 11 amide I modes in the CD3[zeta] transmembrane domain. It was found that the homogeneous line widths ad population relaxation times were all nearly identical but that amount of inhomogeneous broadening correlated with the position of the amide group inside the membrane.

Usage, Infrared spectroscopy, Amides

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Detection of intensity change points in time-resolved single-molecule measurements

Article Abstract:

Methods for the analysis of optical single molecule emission data that exhibit discrete intensity jumps are presented. This procedure allows rigorous and quantitative determination of intensity change points without the artificial time resolution limitations that arise from binning and thersholding.

Spectra, Optical properties, Molecules

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New effective method for quantitative analysis of diffusion jumps, applied in molecular dynamics simulations of small molecules dispersed in short chain systems

Article Abstract:

The development of method to identify individual penetrant jump events that take place in the course of molecular dynamics simulations is described.

Lubricating oils and greases, Petroleum Lubricating Oil and Grease Manufacturing, Lube Oil & Greases, Lubrication and lubricants, Lubricants

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