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视色素视紫红质中视网膜光异构化反应的量子-经典模型。

Quantum-classical model of retinal photoisomerization reaction in visual pigment rhodopsin.

作者信息

Lakhno V D, Shigaev A S, Feldman T B, Nadtochenko V A, Ostrovsky M A

机构信息

Institute of Mathematical Problems of Biology, Russian Academy of Sciences-branch of Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, Pushchino, Moscow oblast, 142290, Russia.

Moscow State University, Moscow, 119991, Russia.

出版信息

Dokl Biochem Biophys. 2016 Nov;471(1):435-439. doi: 10.1134/S1607672916060168. Epub 2017 Jan 6.

DOI:10.1134/S1607672916060168
PMID:28058680
Abstract

A quantum-classical model of photoisomerization of the visual pigment rhodopsin chromophore is proposed. At certain (and more realistic) parameter value combinations, the model is shown to accurately reproduce a number of independent experimental data on the photoreaction dynamics: the quantum yield, the time to reach the point of conical intersection of potential energy surfaces, the termination time of the evolution of quantum subsystem, as well as the characteristic low frequencies of retinal molecular lattice fluctuations during photoisomerization. In addition, the model behavior is in good accordance with experimental data about coherence and local character of quantum transition.

摘要

提出了视觉色素视紫红质发色团光异构化的量子-经典模型。在某些(更现实的)参数值组合下,该模型被证明能够准确再现关于光反应动力学的一些独立实验数据:量子产率、到达势能面锥形交叉点的时间、量子子系统演化的终止时间,以及光异构化过程中视网膜分子晶格波动的特征低频。此外,该模型的行为与关于量子跃迁的相干性和局部特征的实验数据高度吻合。

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Local vibrational coherences drive the primary photochemistry of vision.局部振动相干驱动视觉的原初光化学。
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Conical intersection participation in femtosecond dynamics of visual pigment rhodopsin chromophore cis-trans photoisomerization.
锥形交叉在视觉色素视紫红质发色团顺反异构化飞秒动力学中的作用
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Conical intersection dynamics of the primary photoisomerization event in vision.视觉中初始光致异构化事件的圆锥交叉动力学。
Nature. 2010 Sep 23;467(7314):440-3. doi: 10.1038/nature09346.
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Femtosecond formation dynamics of primary photoproducts of visual pigment rhodopsin.视紫红质光致色素的初级光产物的飞秒形成动力学。
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Mechanism of signal propagation upon retinal isomerization: insights from molecular dynamics simulations of rhodopsin restrained by normal modes.视网膜异构化时的信号传播机制:来自基于简正模式约束的视紫红质分子动力学模拟的见解
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Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level.在多组态微扰理论水平上解析的视紫红质的结构、初始激发态弛豫和能量存储
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The photosensitivities of visual pigments in the presence of hydroxylamine.在存在羟胺的情况下视觉色素的光敏性。
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