Substituent Effects on Temperature Dependence of Kinetic Isotope Effects in Hydride-Transfer Reactions of NADH/NAD(+) Analogues in Solution: Reaction Center Rigidity Is the

Maness Peter; Koirala Shailendra; Adhikari Pratichhya; Salimraftar Nasim; Lu Yun

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Substituent Effects on Temperature Dependence of Kinetic Isotope Effects in Hydride-Transfer Reactions of NADH/NAD(+) Analogues in Solution: Reaction Center Rigidity Is the

机译：取代物对溶液中NADH / NAD（+）类似物氢化物转移反应中动力学同位素作用的温度依赖性：反应中心刚性是

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Substituent effects on the temperature dependence of primary kinetic isotope effects, characterized by Delta E-a = E-aD - E-aH, for two series of the title reactions in acetonitrile were studied. The change from Delta E-a approximate to 0 for a highly rigid system to Delta E-a > 0 for systems with reduced rigidities was observed. The rigidities were controlled by the electronic and steric effects. This work replicates the observations in enzymes and opens a new research direction that studies structure-Delta E-a relationship.

机译：研究了对原发性动力学同位素效应的温度依赖性的取代作用，其特征在于ΔE-A = E-Ad - E-AH，用于研究乙腈中的两系列标题反应。观察到从ΔE-a的变化近似为0对于高度刚性系统，对于具有降低刚性的系统的ΔE-a> 0。刚性由电子和空间效应控制。这项工作复制了酶的观察结果，并开启了研究结构 - ΔE-A关系的新研究方向。

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《Organic letters》 |2020年第15期|共5页
作者
Maness Peter; Koirala Shailendra; Adhikari Pratichhya; Salimraftar Nasim; Lu Yun;
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Southern Illinois Univ Edwardsville Dept Chem Edwardsville IL 62026 USA;

Southern Illinois Univ Edwardsville Dept Chem Edwardsville IL 62026 USA;

Southern Illinois Univ Edwardsville Dept Chem Edwardsville IL 62026 USA;

Southern Illinois Univ Edwardsville Dept Chem Edwardsville IL 62026 USA;

Southern Illinois Univ Edwardsville Dept Chem Edwardsville IL 62026 USA;

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正文语种 eng
中图分类有机化学;
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入库时间 2022-08-19 17:53:36

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1. Substituent Effects on Temperature Dependence of Kinetic Isotope Effects in Hydride-Transfer Reactions of NADH/NAD(+) Analogues in Solution: Reaction Center Rigidity Is the [J] . Maness Peter, Koirala Shailendra, Adhikari Pratichhya, Organic letters . 2020,第15期

机译：取代物对溶液中NADH / NAD（+）类似物氢化物转移反应中动力学同位素作用的温度依赖性：反应中心刚性是
2. Imbalanced Transition States from alpha-H/D and Remote beta-Type N-CH/D Secondary Kinetic Isotope Effects on the NADH/NAD(+) Analogues in Their Hydride Tunneling Reactions in Solution [J] . Ma Li, Sakhaee Nader, Jafari Shabnam, The Journal of Organic Chemistry . 2019,第9期

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3. Steric Effects on the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Hydride Transfer Reactions in Solution: Caused by the Isotopically Different Tunneling Ready State Conformations? [J] . Binita Maharjan, Mahdi Raghibi Boroujeni, Jonathan Lefton, Journal of the American Chemical Society . 2015,第20期

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4. A study on soot suppression effects of oxygenated fuel using a detailed chemical kinetic modeling (3rd report) - dependence of equivalence ratio and temperature on soot particle formation in oxygenated fuel reactions [C] . Takaaki Kitamura, Takayuki Ito, Jiro Senda, 自動車技術会大会 . 2001

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Substituent Effects on Temperature Dependence of Kinetic Isotope Effects in Hydride-Transfer Reactions of NADH/NAD(+) Analogues in Solution: Reaction Center Rigidity Is the

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