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The Oretical and Experimental Vibrational Spectra of Kyotorphin Dipeptide

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Author
Yılmaz, Ayberk
Akyüz, Sevim
Type
Article
Date
2005-06-03
Language
en_US
Metadata
Show full item record
Abstract
The vibrational wavenumbers of kyotorphin [l-Tyr1–d-Arg2] analogue (d-KTP) was determined by using theoretical and experimental methods. The optimised structure of kyotorphin was obtained on the basis of parameter set determined for l-tyrosine and d-arginine molecules. After then the vibrational wavenumbers of kyotorphin were calculated by density functional theory (DFT) approximation, using the B3LYP function with 6-31G(d,p) basis set. The vibrational assignment was given by the help of total energy distribution (TED) of the vibrational modes of the d-KTP. The characteristic Fermi doubled of tyrosine was observed at 853 and 828 cm−1 in the Raman spectrum of d-KTP and the intensity ratio (I853/I828) was found to be 1.6, indicating that both phenoxyl proton and oxygen are involved in H-bonding interaction in d-KTP.
Subject
Ab Initio
Aminoacids
Arginine
Density Functional Theory
IR and Raman Spectra
Kyotorphin
Tyrosine
URI
https://hdl.handle.net/11413/2608
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  • Makaleler / Articles [293]

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İstanbul Kültür University

Hakkında |Politika | Kütüphane | İletişim | Send Feedback | Admin

Istanbul Kültür University, Ataköy Campus E5 Karayolu Üzeri Bakırköy 34158, İstanbul / TURKEY
Copyright © İstanbul Kültür University

Creative Commons Lisansı
IKU Institutional Repository, Creative Commons Alıntı-GayriTicari-Türetilemez 4.0 Uluslararası Lisansı ile lisanslanmıştır.

Designed by  UNIREPOS