The temperature-dependent single-crystal Raman spectroscopy of a model dipeptide: L-Alanyl-L-alanine

被引：4

作者：

Silva, J. G. ^{[1
]}

Arruda, L. M. ^{[1
]}

Pinheiro, G. S. ^{[1
,2
]}

Lima, C. L. ^{[2
]}

Melo, F. E. A. ^{[1
]}

Ayala, A. P. ^{[1
]}

Mendes Filho, J. ^{[1
]}

Freire, P. T. C. ^{[1
]}

机构：

[1] Univ Fed Ceara, Dept Fis, BR-60455760 Fortaleza, Ceara, Brazil

[2] Univ Fed Piaui, Dept Fis, BR-64049550 Teresina, PI, Brazil

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2015年 / 148卷

关键词：

Raman spectroscopy; Infrared spectroscopy; Peptide; Phase transition; VIBRATIONAL ANALYSIS; INFRARED-SPECTRA; PHASE-TRANSITION; OPTICAL-ACTIVITY; AMINO-ACID; PEPTIDES; POLYPEPTIDES; SCATTERING; PROTEINS; GLYCINE;

D O I：

10.1016/j.saa.2015.04.010

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

A single-crystal of peptide L-alanyl-L-alanine (C6H12N2O3) was studied by Raman spectroscopy at low-temperature, and a tentative assignment of the normal modes was given. Evidence of a second order structural phase transition was found through Raman spectroscopy between the temperatures of 80 K and 60K. Group theory considerations suggest that the transition leads the sample from the tetragonal to a monoclinic structure. Additionally, our study suggests that the mechanism for the structural phase transition is governed by the occupation of non-equivalent C-1 local symmetry sites by the CH3 molecular groups. Analysis based on group theory suggests L-alanyl-L-alanine presents C-2 symmetry at low temperatures. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：244 / 249

页数：6

共 35 条

[1] High pressure Raman scattering of DL-leucine crystals [J].

Abagaro, B. T. O. ;

Freire, P. T. C. ;

Silva, J. G. ;

Melo, F. E. A. ;

Lima, J. A., Jr. ;

Mendes Filho, J. ;

Pizani, P. S. .

VIBRATIONAL SPECTROSCOPY, 2013, 66 :119-122

[2]

Babu VVS, 2011, RESONANCE, V16, P640

[3] Micro-transitions or breathers in L-alanine? [J].

Barthes, M ;

Bordallo, HN ;

Dénoyer, F ;

Lorenzo, JE ;

Zaccaro, J ;

Robert, A ;

Zontone, F .

EUROPEAN PHYSICAL JOURNAL B, 2004, 37 (03) :375-382

[4] Simulation of the Raman optical activity of L-alanyl-L-alanine [J].

Bour, P ;

Kapitán, J ;

Baumruk, V .

JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (26) :6362-6368

[5] Conformational and infrared spectral studies of L-methionine and its N-deuterated isotopomer as isolated zwitterions [J].

Cao, XL ;

Fischer, G .

JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (01) :41-50

[6] Structural and IR and Raman spectral analysis of cyclo(His-Phe) dipeptide [J].

Celik, Sefa ;

Ozel, Aysen E. ;

Kecel, Serda ;

Akyuz, Sevim .

VIBRATIONAL SPECTROSCOPY, 2012, 61 :54-65

[7] NORMAL-MODE ANALYSIS OF ALANINE DIPEPTIDE IN THE CRYSTAL CONFORMATION USING A SCALED ABINITIO FORCE-FIELD [J].

CHEAM, TC .

JOURNAL OF MOLECULAR STRUCTURE, 1993, 295 :259-271

[8] Vibrational spectroscopy of a non-aromatic amino acid-based model peptide:: identification of the γ-turn motif of the peptide backbone [J].

Compagnon, I ;

Oomens, J ;

Bakker, J ;

Meijer, G ;

von Helden, G .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2005, 7 (01) :13-15

[9] Low-Temperature Raman Spectra of L-Histidine Crystals [J].

De Sousa, G. P. ;

Freire, P. T. C. ;

Mendes Filho, J. ;

Melo, F. E. A. ;

Lima, C. L. .

BRAZILIAN JOURNAL OF PHYSICS, 2013, 43 (03) :137-144

[10] High-pressure Raman spectra of L-histidine hydrochloride monohydrate crystal [J].

De Sousa, G. P. ;

Freire, P. T. C. ;

Lima, J. A., Jr. ;

Mendes Filho, J. ;

Melo, F. E. A. .

VIBRATIONAL SPECTROSCOPY, 2011, 57 (01) :102-107

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