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首页> 外文期刊>The Journal of Chemical Physics >Vibron-polaron in alpha-helices.I.Single-vibron states
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Vibron-polaron in alpha-helices.I.Single-vibron states

机译:α螺旋中的振动子极性I.单振动子态

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The vibron dynamics associated to amide-I vibrations in a three-dimensional alpha-helix is described according to a generalized Davydov model.The helix is modeled by three spines of hydrogen-bonded peptide units linked via covalent bonds.To remove the intramolecular anharmonicity of each amide-I mode and to renormalize the vibron-phonon coupling,two unitary transformations have been applied to reach the dressed anharmonic vibron point of view.It is shown that the vibron dynamics results from the competition between interspine and intraspine vibron hops and that the two kinds of hopping processes do not experience the same dressing mechanism.Therefore,at low temperature (or weak vibron-phonon coupling),the polaron behaves as an undressed vibron delocalized over all the spines whereas at biological temperature (or strong vibron-phonon coupling),the dressing effect strongly reduces the vibrational exchanges between different spines.As a result the polaron propagates along a single spine as in the one-dimensional Davydov model.Although the helix supports both acoustical and optical phonons,this feature originates in the coupling between the vibron and the acoustical phonons only.Finally,the lattice distortion which accompanies the polaron has been determined and it is shown that residues located on the excited spine are subjected to a stronger deformation than the other residues.
机译:根据广义Davydov模型描述了三维α-螺旋中与酰胺-I振动相关的振动子动力学,该螺旋由通过共价键连接的三个氢键合肽单元的刺建模,以消除每种酰胺I模式并重新规范化了振子-声子耦合,已经应用了两个单位变换来达到穿戴式非谐振子的观点。研究表明,振子动力学是由脊柱间和脊柱内振奋跃迁之间的竞争产生的。两种跳跃过程没有经历相同的修整机制。因此,在低温(或弱的声子-声子耦合)下,极化子表现为在整个棘突上散布的未穿刺的纤维,而在生物温度下(或强的声子-声子耦合) ),修整效果极大地减少了不同脊椎之间的振动交换。结果极化子沿单个脊柱传播一维Davydov模型中的s。尽管螺旋线同时支持声子和光学声子,但此特征仅源于振动子和声子之间的耦合。最后,确定了极化子所伴随的晶格畸变并显示了该现象。与其他残留物相比,位于受激脊柱上的残留物承受更大的变形。

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