Arginine zwitterion is more stable than the canonical form when solvated by a water molecule

Im S; Jang SW; Lee S; Lee Y; Kim B

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Arginine zwitterion is more stable than the canonical form when solvated by a water molecule

机译：当被水分子溶剂化时，精氨酸两性离子比规范形式更稳定

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摘要

We present calculations for the Arg-H2O system and predict that the zwitterionic Arg is thermodynamically more stable than the canonical form in the gas phase under the influence of a single water molecule because of the strongly basic guanidine side chain. Canonical conformers of Arg-H2O are found to isomerize to the zwitterionic forms via a small barrier (similar to 6 kcal/mol).

机译：我们介绍了Arg-H2O系统的计算结果，并预测由于在单个水分子的影响下，两性离子Arg在气相中比规范形式在热力学上更稳定，这是因为它具有强碱性的胍侧链。发现Arg-H2O的典型构象异构体通过一个小的势垒（类似于6 kcal / mol）异构化为两性离子形式。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2008年第40期|共4页
作者
Im S; Jang SW; Lee S; Lee Y; Kim B;
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正文语种 eng
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GAS-PHASE; AB-INITIO; CATIONIZED ARGININE; GLYCINE ZWITTERION; AMINO-ACID; SPECTROSCOPY; CLUSTERS; ENERGY; BIOMOLECULES; CONFORMERS;

机译：气相;AB-INITIIO;阳离子化精氨酸;甘氨酸两性离子;氨基酸;光谱学;簇;能量;生物分子;构象异构体;

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1. Arginine zwitterion is more stable than the canonical form when solvated by a water molecule [J] . Im S, Jang SW, Lee S, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2008,第40期

机译：当被水分子溶剂化时，精氨酸两性离子比规范形式更稳定
2. One Water Molecule Stabilizes the Cationized Arginine Zwitterion [J] . Matthew F. Bush, James S. Prell, Richard J. Saykally, Journal of the American Chemical Society . 2007,第44期

机译：一种水分子可稳定阳离子化的精氨酸两性离子
3. Hydration of Valine-Cation Complexes in the gas phase: On the Number of water molecules necessary to form a zwitterion [J] . Rebecca A.Jockusch, Andrew S.Lemoff, Evan R.Williams The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2002,第48期

机译：气相中缬氨酸-阳离子配合物的水合：关于形成两性离子所必需的水分子数
4. Proton solvates in a water environment and their influencing on fluorescent properties of organic molecules [C] . Viktor Ja. Artukhov, Oksana M. Zharkova, Julia P. Morozova, Joint International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics . 2006

机译：质子溶剂化物在水环境中及其影响对有机分子的荧光特性
5. Understanding and controlling laser-matter interactions: From solvated dye molecules to polyatomic molecules in gas phase. [D] . Konar, Arkaprabha. 2015

机译：理解和控制激光与物质的相互作用：从溶剂化的染料分子到气相的多原子分子。
6. A redetermination of the titration dissociation constants of arginine and histidine with a demonstration of the zwitterion constitution of these molecules [O] . Thomas William Birch, Leslie Julius Harris 1930

机译：重新确定精氨酸和组氨酸的滴定解离常数并证明这些分子的两性离子组成
7. One Water Molecule Stabilizes the Cationized Arginine Zwitterion [O] . -1

机译：一分子稳定阳离子化的精氨酸两性

Arginine zwitterion is more stable than the canonical form when solvated by a water molecule

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