Molecular dynamics and residual entropy in the soft crystal, SmE phase, of 4-butyl-4'-isothiocyano-1, 1'-biphenyl

Article Abstract:

Molecular dynamics and resulting disorder in the soft crystal, smectic E (SmE) phase, were studied for the title compound, 4-butyl-4'-isothiocyano-1, 1'-biphenyl (4TCB), by 1H NMR spectroscopy and adiabatic calorimetery. The result reveals the ordered crystal phase of 4TBC was realized for the first time under ambient pressure after long two-step annealing.

Annealing

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Analysis of the p-tert-butylcalix[4]arene bis-crown derivative (Dc3)-acetonitrile host-guest complexing behaviour by nuclear magnetic resonance (NMR) spectroscopy and computational methods

Article Abstract:

The structure and dynamics of the calix[4]arene bis-crown derivative (Dc3) and the host-guest system formed by Dc3 and acetonitrile in a chloroform solution are analyzed by nuclear magnetic resonance (NMR) spectral measurements, molecular mechanics, and molecular dynamics calculations. The molecular modeling studies and the NMR data obtained are described.

Calixarenes

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Why pH titration in protein solutions follows a Hofmeiser series

Article Abstract:

The measurements of pH in single-phase cytochrome c suspensions are reported. A theoretical interpretation is given, providing insights into Hofmeister effects revealing that it occur generally in protein solutions.

Cytochrome c, Chemical reactions, Protein S

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