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Volumn 9, Issue 18, 2008, Pages 2742-2750

The solvent-dependent shift of the amide I band of a fully solvated peptide as a local probe for the solvent composition in the peptide/solvent interface

Author keywords

Hydrogen bonds; IR spectroscopy; Molecular dynamics; Peptides; Water chemistry

Indexed keywords

AMIDES; CONFORMATIONS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; METHANOL; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; MOLECULES; PEPTIDES; RED SHIFT;

EID: 58049189310     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800540     Document Type: Article
Times cited : (14)

References (70)
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    • D. van der Spoel, E. Lindahl, B. Hess, A. R. van Buuren, E. Apol, P.J. Meulenhoff, D. P. Tieleman, A. L. T. M. Sijbers, K. A. Feenstra, R. van Drunen, H. J. C Berendsen, Gromacs User Manual version 3.2, http://www.gro-macs. org, 2004.
    • D. van der Spoel, E. Lindahl, B. Hess, A. R. van Buuren, E. Apol, P.J. Meulenhoff, D. P. Tieleman, A. L. T. M. Sijbers, K. A. Feenstra, R. van Drunen, H. J. C Berendsen, Gromacs User Manual version 3.2, http://www.gro-macs. org, 2004.
  • 60
    • 58049158129 scopus 로고    scopus 로고
    • For the IR spectroscopic Investigation of the amide I' band of the AK peptide in dependence on different temperature and/or solvent conditions, we used an N-acetylated and C-amidated peptide (Ac-AA-(AAKAA)3AAY- NH2; kindly provided by S. M. Decatur, Experiments were carried out with deuterated solvents (D2O and MeOD4) due to the intense H-O-H bending vibration of water at about 1643 cm-1, which interferes with the amide I region[70, Peptide solutions (0.2, w/v) were prepared by dissolving the corresponding amounts of peptide in D 2O or MeOD4, and by mixing the solutions In the corresponding molar ratios (0, 50, or 100, FTIR measurements were performed using a Nicolet 5700 FTIR spectrometer. The applied MCT detector (HgCdTe) was cooled with liquid nitrogen. The sample (20 μL) was filled between CaF2 windows, which were separated by a 50-μm-thick Mylar spacer. For temperat
    • 10C steps was performed. The temperature equilibration time before recording of spectra was 6 min. All other measurements were executed at 25°C.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.