𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Psi-angle dependence of geminal proton–carbonyl-13C coupling constants in peptides. A theoretical investigation

✍ Scribed by P. Mohanakrishnan; K. R. K. Easwaran

Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
297 KB
Volume
12
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Theoretical calculations of the geminal carbonyl‐^13^C‐ proton coupling constant, ^2^J(C′H), in α‐amino acids have been carried out using Dirac Vector model and Penney‐Dirac bond order formulations. The results indicate that the couplings are dependent on the backbone torsion angle psi (ψ) of the amino acid residues in peptides. The meagre available experimental data seem to support the theoretical findings.

📜 SIMILAR VOLUMES

Conformational dependence of vicinal 13C
Conformational dependence of vicinal 13C′NCαH coupling constants in peptides: A dirac vector model investigation
✍ P. Mohanakrishnan; K. R. K. Easwaran 📂 Article 📅 1979 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 308 KB 👁 1 views

## Abstract Theoretical calculations of the heteronuclear vicinal coupling constant ^3^__J__(^13^C′NC^α^H) in peptides have been carried out using the Dirac vector model. The results showed an angular dependence for this coupling constant, which can be expressed in the form ^3^__J__(^13^C′NC^α^H) =

Dihedral-angle dependence of the vicinal
Dihedral-angle dependence of the vicinal 15N,13C spin-coupling constants. A new NMR parameter for the conformational analysis of amino acids and peptides
✍ Masatsune Kainosho; Takashi Tsuji 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 394 KB

## Abstract The first successful observation of the vicinal ^15^N,^13^C spin‐coupling constants in a series of amino acids, comprising Val, Ile, Leu and Thr, in which the α‐nitrogens are fully replaced with ^15^N, is described. A Karplus‐type dihedral‐angle dependence was noted for the coupling con