Effect of chain conformational change on micelle structures: experimental studies and molecular dynamics simulations

Article Abstract:

The effect of chain conformation change on the self-assembly behavior of poly([gamma]-benzyl-L-glutamate)-block-poly(ethylene glycol) (PBLG-b-PEG) is analyzed by using molecular dynamics simulation. The results have shown that the aggregate structure has transformed from rod to sphere by decreasing the fraction of rigid chain conformation of the A-block, which has corresponded to the helix-coil transition in PBLG-b-PEG sample.

Micelles, Transition state (Chemistry)

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Inelastic electron tunneling erases coupling-pathway interferences

Article Abstract:

Theoretical analysis of nonadiabatic electron-transfer reactions in molecules usually assumes that electron amplitude propogates coherently from the reductant to the oxidant via covalent and noncovalent coupling pathways. An attempt is made to show that when the tunneling electron excites local bridge vibrations (inelastic tunneling), the excitation 'labels' the physical pathway traversed.

Electrons, Tunneling (Physics), Atomic properties, Coherent states

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Simulation of electron transfer between cytochrome c2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native proteins and double mutants

Article Abstract:

Brownian dynamics was used to analyze a particularly large electron-transfer system, the photosynthetic reaction center/ cytochrome c2 couple. The findings support the experimental conclusion regarding the role of electrostatic docking in the photosynthetic reaction center-cytochrome c2 electron-transfer kinetics.

Optical properties, Electron transport, Cytochrome c, Properties

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