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Normal coordinate treatment of Leu5‐enkephalin in the crystal state

 

作者: P. Lagant,   G. Vergoten,   S. Shi,   G. Zeng,   A. Aubry,   J. Laureyns,  

 

期刊: Journal of Raman Spectroscopy  (WILEY Available online 1993)
卷期: Volume 24, issue 1  

页码: 21-29

 

ISSN:0377-0486

 

年代: 1993

 

DOI:10.1002/jrs.1250240104

 

出版商: John Wiley&Sons, Ltd.

 

数据来源: WILEY

 

摘要:

AbstractVibrational studies on the neuropentapeptide Leu5‐enkephalin were performed for the crystal state where different specific conformations can arise. In the present case, the peptide adopts a double fused folded conformation (β‐turn), the presence of which in the crystal state is directly related to the nature of the solvent used for its crystallization. This study completes other work relating to similar conformations of isolated molecules. It can be seen that specific interactions in the crystal state perturb to a large extent the vibrational relationships between the amide frequencies and the specific sets of dihedral angles characteristic of the particular type of turn. The tyrosyl moiety and its frequency dependence on its hydrogen bond state was especially investigated both for the Fermi resonance and the hydroxyl bending m

 

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