TY - JOUR
T1 - Application of IR spectra of two successive isotope labeled residues to the evaluation of dihedral angles of polyproline II structure
AU - Miyata, Daisuke
AU - Hiramatsu, Hirotsugu
AU - Nakabayashi, Takakazu
N1 - Funding Information:
This work was supported by Ministry of Science and Technology, Taiwan ( MOST105-2113-M-009-026-MY2 ), and by the Center for Emergent Functional Matter Science of National Chiao Tung University from the Featured Areas Research Center Program within the framework of the Higher Education Sprout Project by the Ministry of Education (MOE) in Taiwan (HH). This work was also supported by JSPS KAKENHI Grant Number JP 26287094 in Japan (TN).
Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2019/3
Y1 - 2019/3
N2 - The method to evaluate the dihedral angles of a polypeptide using IR absorption spectroscopy was applied to a polyproline type II (PPII) structure. We have prepared 1PPPPPPG7-NH2 with the two successive residues labeled by 13C[dbnd]18O. The doublet of the 13C[dbnd]18O stretching band due to the two successive labeled residues was observed, which comes from the vibrational coupling between the labeled residues. The differences in the peak wavenumber and the intensity of the doublet band were analyzed using the GF matrix method and ab initio molecular orbital calculations. The obtained dihedral angles of the labeled residues were compared with the reported values.
AB - The method to evaluate the dihedral angles of a polypeptide using IR absorption spectroscopy was applied to a polyproline type II (PPII) structure. We have prepared 1PPPPPPG7-NH2 with the two successive residues labeled by 13C[dbnd]18O. The doublet of the 13C[dbnd]18O stretching band due to the two successive labeled residues was observed, which comes from the vibrational coupling between the labeled residues. The differences in the peak wavenumber and the intensity of the doublet band were analyzed using the GF matrix method and ab initio molecular orbital calculations. The obtained dihedral angles of the labeled residues were compared with the reported values.
KW - Dihedral angles
KW - Infrared spectroscopy
KW - Isotope labeled residues
KW - Polyproline
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U2 - 10.1016/j.cplett.2019.01.026
DO - 10.1016/j.cplett.2019.01.026
M3 - Article
AN - SCOPUS:85060853636
SN - 0009-2614
VL - 718
SP - 27
EP - 31
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -