Naslov
Conformation and Hydrogen Bonding Influence on the CSA Tensor of Models for Peptide Backbone Atoms

Autori
Smrečki, Vilko ; Shen, Liang ; Ji, Hong-Fang ; Sivanandam, Veeramuthu N. ; Müller, Norbert

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
47th ENC : Experimental Nuclear Magnetic Resonance Conference : Long Abstracts ; Th P 069 / Zilm, Kurt W. - Santa Fe : ENC Conference, 2006, 119-119

Skup
ENC : Experimental Nuclear Magnetic Resonance Conference (47 ; 2006)

Mjesto i datum
Pacific Grove (CA), Sjedinjene Američke Države, 23.04.2006. - 28.04.2006

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
NMR; CSA; conformation; hydrogen bonding

Sažetak
The H-1, C-13 and N-15 CSA tensors in peptide models have been investigated with respect to their dependence on conformational and hydrogen bonding parameters. Backbone torsion dependencies are visualized by way of Ramachandran-type diagrams for a dipeptide model. For each backbone atom the CSA tensor was analyzed by itself and, additionally, in the context of cross-correlated relaxation with selected dipole-dipole interactions. This was to allow comparison to both solid state and liquid state (cross-correlation) NMR experiments. The influence of hydrogen bond distance on H-1, C-13 and N-15 CSA tensors prevails over any effects from hydrogen bonding angles. The relative influences of conformation and hydrogen bonding on the CSA tensors and cross correlation rates will be compared.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA