Computational Replication of the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Solution Hydride-Transfer Reactions: Supporting the Isotopically Different Tunneling Ready State Conformations

Mortaza Derakhshani-Molayousefi; Sadra Kashefolgheta; James E. Eilers; Yun Lu

doi:10.1021/acs.jpca.6b03571

Computational Replication of the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Solution Hydride-Transfer Reactions: Supporting the Isotopically Different Tunneling Ready State Conformations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b03571 ◽

2016 ◽

Vol 120 (25) ◽

pp. 4277-4284 ◽

Cited By ~ 5

Author(s):

Mortaza Derakhshani-Molayousefi ◽

Sadra Kashefolgheta ◽

James E. Eilers ◽

Yun Lu

Keyword(s):

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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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 Key

Organic Letters ◽

10.1021/acs.orglett.0c02049 ◽

2020 ◽

Vol 22 (15) ◽

pp. 5963-5967

Author(s):

Peter Maness ◽

Shailendra Koirala ◽

Pratichhya Adhikari ◽

Nasim Salimraftar ◽

Yun Lu

Keyword(s):

Temperature Dependence ◽

Reaction Center ◽

Isotope Effects ◽

Substituent Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Solution Reaction ◽

Hydride Transfer Reactions

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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?

Journal of the American Chemical Society ◽

10.1021/jacs.5b03085 ◽

2015 ◽

Vol 137 (20) ◽

pp. 6653-6661 ◽

Cited By ~ 11

Author(s):

Binita Maharjan ◽

Mahdi Raghibi Boroujeni ◽

Jonathan Lefton ◽

Ormacinda R. White ◽

Mortezaali Razzaghi ◽

...

Keyword(s):

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Steric Effects ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05537 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05540 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05543 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05539 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Prediction of Kinetic Isotope Effects for Various Hydride Transfer Reactions Using a New Kinetic Model

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b10135 ◽

2016 ◽

Vol 120 (11) ◽

pp. 1779-1799 ◽

Cited By ~ 18

Author(s):

Guang-Bin Shen ◽

Ke Xia ◽

Xiu-Tao Li ◽

Jun-Ling Li ◽

Yan-Hua Fu ◽

...

Keyword(s):

Kinetic Model ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Structure–Reactivity Effects on Intrinsic Primary Kinetic Isotope Effects for Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase

Journal of the American Chemical Society ◽

10.1021/jacs.6b07028 ◽

2016 ◽

Vol 138 (44) ◽

pp. 14526-14529 ◽

Cited By ~ 7

Author(s):

Archie C. Reyes ◽

Tina L. Amyes ◽

John P. Richard

Keyword(s):

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Kinetic Isotope ◽

Glycerol 3 Phosphate Dehydrogenase

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Effect of isotope scrambling and tunneling on the kinetic and product isotope effects for reduced nicotinamide adenine dinucleotide model hydride transfer reactions

Journal of the American Chemical Society ◽

10.1021/ja00362a019 ◽

1983 ◽

Vol 105 (24) ◽

pp. 7139-7149 ◽

Cited By ~ 68

Author(s):

Michael F. Powell ◽

Thomas C. Bruice

Keyword(s):

Nicotinamide Adenine Dinucleotide ◽

Isotope Effects ◽

Hydride Transfer ◽

Transfer Reactions ◽

Nicotinamide Adenine ◽

Hydride Transfer Reactions ◽

Reduced Nicotinamide Adenine Dinucleotide ◽

Product Isotope

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Interpretation of Primary Kinetic Isotope Effects for Adiabatic and Nonadiabatic Proton-Transfer Reactions in a Polar Environment

Isotope Effects In Chemistry and Biology ◽

10.1201/9781420028027.ch21 ◽

2005 ◽

pp. 549-578 ◽

Cited By ~ 3

Author(s):

Philip Kiefer ◽

James Hynes

Keyword(s):

Proton Transfer ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Polar Environment ◽

Proton Transfer Reactions

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