Using Side-Chain Aromatic Proton Chemical Shifts for a Quantitative Analysis of Protein Structures

2011 ◽  
Vol 50 (41) ◽  
pp. 9620-9623 ◽  
Author(s):  
Aleksandr B. Sahakyan ◽  
Wim F. Vranken ◽  
Andrea Cavalli ◽  
Michele Vendruscolo
Keyword(s):  
Quantitative Analysis ◽  
Chemical Shifts ◽  
Protein Structures ◽  
Aromatic Proton ◽  
Side Chain ◽  
Proton Chemical Shifts

Using Side-Chain Aromatic Proton Chemical Shifts for a Quantitative Analysis of Protein Structures

2011 ◽  
Vol 123 (41) ◽  
pp. 9794-9797
Author(s):  
Aleksandr B. Sahakyan ◽  
Wim F. Vranken ◽  
Andrea Cavalli ◽  
Michele Vendruscolo
Keyword(s):  
Quantitative Analysis ◽  
Chemical Shifts ◽  
Protein Structures ◽  
Aromatic Proton ◽  
Side Chain ◽  
Proton Chemical Shifts

NMR-spektroskopische Untersuchungen über zwischenmolekulare Wechselwirkungen bei Benzolderivaten und Pyrrol / NMR-Spectroscopic Investigation of the Intermolecular Reactions of Benzene Derivatives and Pyrrole

1969 ◽  
Vol 24 (11) ◽  
pp. 1365-1370 ◽  
Author(s):  
H.-H. Perkampus ◽  
U. Krüger ◽  
W. Krüger
Keyword(s):  
Dipole Moment ◽  
Temperature Dependence ◽  
Aromatic Compounds ◽  
Spectroscopic Investigation ◽  
Chemical Shifts ◽  
Benzene Derivatives ◽  
Intermolecular Reactions ◽  
Proton Chemical Shifts

The proton chemical shifts of aromatic compounds are strongly concentration dependent. Moreever, for molecules with a dipole moment a temperature dependence of the proton chemical shifts is observed. For hemellitone, p-methylanisole, o-chlortoluene, p-chlortoluene, pyrrole and N-methyl-pyrrole the enthalpies of a dipole-dipole association between -0,7 and -1,8 Kcal could be estimated by NMR measurements combined with the temperature dependence in the whole range of the molefraction (0 → 1).

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