Carbon-13 and Oxygen-17 Chemical Shifts, (16O/18O) Isotope Effects on13C Chemical Shifts, and Vibrational Frequencies of Carbon Monoxide in Various Solvents and of the Fe−C−O Unit in Carbonmonoxy Heme Proteins and Synthetic Model Compounds

1999 ◽  
Vol 38 (19) ◽  
pp. 4283-4293 ◽  
Author(s):  
Charalampos G. Kalodimos ◽  
Ioannis P. Gerothanassis ◽  
Roberta Pierattelli ◽  
Bernard Ancian
Keyword(s):  
Carbon Monoxide ◽  
Heme Proteins ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Vibrational Frequencies ◽  
Model Compounds ◽  
Synthetic Model ◽  
18O Isotope

Linear free-energy relationships in binding of oxygen and carbon monoxide with heme model compounds and heme proteins

1984 ◽  
Vol 145 (3) ◽  
pp. 555-565 ◽  
Author(s):  
Daniel LAVALETTE ◽  
Catherine TETREAU ◽  
Joel MISPELTER ◽  
Michel MOMENTEAU ◽  
Jean-Marc LHOSTE
Keyword(s):  
Carbon Monoxide ◽  
Free Energy ◽  
Heme Proteins ◽  
Linear Free Energy Relationships ◽  
Model Compounds ◽  
Linear Free Energy ◽  
Energy Relationships

Metal ion effect on vibrational frequencies of bound dioxygen in model compounds of heme proteins: Fe(II) versus Co(II)

1988 ◽  
Vol 189 (3-4) ◽  
pp. 293-300 ◽  
Author(s):  
K. Nakamoto ◽  
I.R. Paeng ◽  
T. Kuroi ◽  
T. Isobe ◽  
H. Oshio
Keyword(s):  
Metal Ion ◽  
Heme Proteins ◽  
Vibrational Frequencies ◽  
Model Compounds

Multinuclear (13C, 17O, 57Fe) NMR studies of carbonmonoxy heme proteins and synthetic model compounds

2000 ◽  
Vol 79 (1-4) ◽  
pp. 371-380 ◽  
Author(s):  
Charalampos G. Kalodimos ◽  
Ioannis P. Gerothanassis ◽  
Roberta Pierattelli ◽  
Anastasios Troganis
Keyword(s):  
Heme Proteins ◽  
Model Compounds ◽  
Nmr Studies ◽  
Synthetic Model

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.

Hydrogen/Deuterium-Isotope Effects on NMR Chemical Shifts and Symmetry of Homoconjugated Hydrogen-Bonded Ions in Polar Solution

2000 ◽  
Vol 122 (51) ◽  
pp. 12878-12879 ◽  
Author(s):  
Parwin Schah-Mohammedi ◽  
Ilja G. Shenderovich ◽  
Carsten Detering ◽  
Hans-Heinrich Limbach ◽  
Peter M. Tolstoy ◽  
...  
Keyword(s):  
Chemical Shifts ◽  
Isotope Effects ◽  
Polar Solution ◽  
Nmr Chemical Shifts ◽  
Hydrogen Deuterium ◽  
Deuterium Isotope Effects ◽  
Hydrogen Bonded
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