Isotope Effects on Hydrogen Bonding and CH/CD−π Interaction

2018 ◽  
Vol 122 (26) ◽  
pp. 15026-15032 ◽  
Author(s):  
Eisuke Kanao ◽  
Takuya Kubo ◽  
Toyohiro Naito ◽  
Takatoshi Matsumoto ◽  
Tomoharu Sano ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Isotope Effects

scholarly journals NMR of Natural Products as Potential Drugs

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3763
Author(s):  
Poul Erik Hansen
Keyword(s):  
Natural Products ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Density Functional Theory Calculations ◽  
Intramolecular Hydrogen Bonding ◽  
Chemical Equilibria ◽  
Nmr Techniques ◽  
Intramolecular Hydrogen

This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density functional theory calculations are performed to support NMR results. The review demonstrates how hydrogen bonding may lead to specific structures and how chemical equilibria, as well as tautomeric equilibria and ionic structures, can be detected. All these features are important for biological activity and a prerequisite for correct docking experiments and future use as drugs.

Use of H/D isotope effects to gather information about hydrogen bonding and hydrogen exchange rates

2014 ◽  
Vol 241 ◽  
pp. 148-154 ◽  
Author(s):  
Mitsuhiro Takeda ◽  
Yohei Miyanoiri ◽  
Tsutomu Terauchi ◽  
Chun-Jiun Yang ◽  
Masatsune Kainosho
Keyword(s):  
Hydrogen Bonding ◽  
Exchange Rates ◽  
Hydrogen Exchange ◽  
Isotope Effects
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