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α-螺旋蛋白质中的双振子束缚态:分子内非谐性与强振子-声子耦合之间的相互作用

Two-vibron bound states in alpha-helix proteins: the interplay between the intramolecular anharmonicity and the strong vibron-phonon coupling.

作者信息

Pouthier V

机构信息

Laboratoire de Physique Moléculaire, UMR CNRS 6624, Faculté des Sciences, La Boúloie, Université de Franche-Comté, 25030 Besançon Cedex, France.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Aug;68(2 Pt 1):021909. doi: 10.1103/PhysRevE.68.021909. Epub 2003 Aug 18.

Abstract

The influence of the intramolecular anharmonicity and the strong vibron-phonon coupling on the two-vibron dynamics in an alpha-helix protein is studied within a modified Davydov model. The intramolecular anharmonicity of each amide-I vibration is considered, and the vibron dynamics is described according to the small polaron approach. A unitary transformation is performed to remove the intramolecular anharmonicity, and a modified Lang-Firsov transformation is applied to renormalize the vibron-phonon interaction. Then a mean field procedure is realized to obtain the dressed anharmonic vibron Hamiltonian. It is shown that the anharmonicity modifies the vibron-phonon interaction, which results in an enhancement of the dressing effect. In addition, both the anharmonicity and the dressing favor the occurrence of two different bound states whose properties strongly depend on the interplay between the anharmonicity and the dressing. This dependence was summarized in a phase diagram which characterizes the number and the nature of the bound states as a function of the relevant parameters of the problem. For a significant anharmonicity, the low-frequency bound states describe two vibrons trapped onto the same amide-I vibration, whereas the high-frequency bound states refer to the trapping of the two vibrons onto nearest neighbor amide-I vibrations.

摘要

在一个改进的达维多夫模型中,研究了分子内非谐性和强振子 - 声子耦合对α - 螺旋蛋白中双振子动力学的影响。考虑了每个酰胺 - I振动的分子内非谐性,并根据小极化子方法描述振子动力学。进行幺正变换以消除分子内非谐性,并应用改进的朗 - 菲尔索夫变换对振子 - 声子相互作用进行重整化。然后实现平均场程序以获得修饰的非谐振子哈密顿量。结果表明,非谐性改变了振子 - 声子相互作用,从而增强了修饰效应。此外,非谐性和修饰都有利于出现两种不同的束缚态,其性质强烈依赖于非谐性和修饰之间的相互作用。这种依赖性总结在一个相图中,该相图表征了束缚态的数量和性质作为问题相关参数的函数。对于显著的非谐性,低频束缚态描述了两个被困在同一酰胺 - I振动上的振子,而高频束缚态则指两个振子被困在相邻的酰胺 - I振动上。

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