Signals in solid-state photochemically induced dynamic nuclear polarization recover faster than signals obtained with the longitudinal relaxation time

Article Abstract:

The effect of [super 13]C photochemically induced dynamic nuclear polarization (photo-CIDNP) in the solid state on the recovery rate of the signal is examined. In reaction centers (RCs) of the purple bacterium Rhodobacter sphaeroids R26, the photochemical active channels have allowed for the accelerated signal scanning by a factor of 5 and hence photo-CIDNP MAS NMR has provided the possibility to drive the NMR method beyond the [T.sub.1] limit.

Usage, Physiological aspects, Nuclear magnetic resonance spectroscopy, Photochemistry, Rhododendron, Rhododendrons

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Molecular dynamics study on electrostatic properties of a lipid bilayer: polarization, electrostatic potential, and the effects on structure and dynamics of water near the interface

Article Abstract:

A study was conducted to analyze the electrostatic characteristics of the dipalmitoylphosphatidylcholine bilayer in water based on molecular dynamics computations in the isothermal-isobaric ensemble. Five independent molecular dynamic computations were carried out on the bilayer system at two water concentrations at 353 K. Experimental results indicated that a polarization of the system supported anisotropic fluctuations.

Research, Water, Molecular dynamics, Electrostatics, Lipid membranes, Bilayer lipid membranes

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Calculation of the free energy of polarization: Quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters

Article Abstract:

The studies conducted shows that the explicit inclusion of electronic polarization effects in the force field could significantly improve the transferability of (biomolecular) parameter sets when applied in simulations of the system of interest in either a polar or apolar environment is presented.

Analysis, Biomolecules, Molecular spectra

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