Anharmonic Behavior
Mostrando 1-7 de 7 artigos, teses e dissertações.
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1. Transições anarmônicas em L-Cisteína: papel das interações fônon-fônon / Anharmonic transitions in L-cysteine: role of phonon-phonon interactions
Estudos teóricos e experimentais sobre as propriedades físicas das biomoléculas têm sido motivados recentemente pela busca da correlação entre as flutuações na forma/função e suas atividades bioquímicas. Estas flutuações em sistemas biológicos são mecanismos intrínsecos da atividade biomolecular. Os modos de vibração desempenham um papel im
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 05/10/2010
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2. Temperature dependent structure of low index copper surfaces studied by molecular dynamics simulation
The thermal behavior of the (010), (110) and (111) copper surfaces is studied by molecular dynamics simulation. We have used a many-body potential based on the tight-binding model in order to describe the Cu-Cu interaction. The calculations we have performed correspond to simulations in the temperature range between 600 and 1800 K. The observed order in the
Brazilian Journal of Physics. Publicado em: 2004-06
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3. Local dynamics of DNA probed with optical absorption spectroscopy of bound ethidium bromide.
We have studied the local dynamics of calf thymus double-helical DNA by means of an "optical labeling" technique. The study has been performed by measuring the visible absorption band of the cationic dye ethidium bromide, both free in solution and bound to DNA, in the temperature interval 360-30 K and in two different solvent conditions. The temperature depe
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4. On a classical limit for electronic degrees of freedom that satisfies the Pauli exclusion principle
Fermions need to satisfy the Pauli exclusion principle: no two can be in the same state. This restriction is most compactly expressed in a second quantization formalism by the requirement that the creation and annihilation operators of the electrons satisfy anticommutation relations. The usual classical limit of quantum mechanics corresponds to creation
The National Academy of Sciences.
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5. Structure-dynamics-function relationships in Asian elephant (Elephas maximus) myoglobin. An optical spectroscopy and flash photolysis study on functionally important motions.
In this work we report the thermal behavior (10-300 K) of the Soret band lineshape of deoxy and carbonmonoxy derivatives of Asian elephant (Elephas maximus) and horse myoglobins together with their carbon monoxide recombination kinetics after flash photolysis; the results are compared to analogous data relative to sperm whale myoglobin. The Soret band profil
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6. Solvent dependence of dynamic transitions in protein solutions
A transition as a function of increasing temperature from harmonic to anharmonic dynamics has been observed in globular proteins by using spectroscopic, scattering, and computer simulation techniques. We present here results of a dynamic neutron scattering analysis of the solvent dependence of the picosecond-time scale dynamic transition behavior of solution
The National Academy of Sciences.
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7. Dynamics of different functional parts of bacteriorhodopsin: H-2H labeling and neutron scattering
We show that dynamics of specific amino acids within a protein can be characterized by neutron spectroscopy and hydrogen–deuterium labeling, and we present data on the motions of a selected set of groups within bacteriorhodopsin (BR), the retinal-based proton pump in the purple membrane of halophilic Archaea. Elastic incoherent neutron scattering experimen
The National Academy of Sciences.