Structure of the protected dipeptide Ac-Val-Phe-OMe in the gas phase:: Towards a β-sheet model system

被引：66

作者：

Unterberg, C

Gerlach, A

Schrader, T

Gerhards, M ^{[1
]}

机构：

[1] Univ Dusseldorf, Inst Phys Chem & Elektrochem 1, D-40225 Dusseldorf, Germany

[2] Univ Marburg, Fachbereich Chem, D-35032 Marburg, Germany

来源：

JOURNAL OF CHEMICAL PHYSICS | 2003年 / 118卷 / 18期

关键词：

D O I：

10.1063/1.1565110

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this paper we report on the structure of the isolated dipeptide Ac-Val-Phe-OMe (Val=valine, Phe=phenylalanine) which is protected at the terminal positions by introducing an acetyl and a methyl group. Both resonant two-photon ionization (R2PI) and IR/R2PI spectroscopy are applied. This is the first application of IR/R2PI spectroscopy to a dipeptide. Both the region of the C-H and N-H stretching vibrations as well as the region of the C=O stretching vibrations are investigated. The chosen dipeptide exhibits only one prominent conformer in the gas phase containing a "linear" non-hydrogen-bonded structure which is an ideal candidate for a beta-sheet model. (C) 2003 American Institute of Physics.

引用

收藏

页码：8296 / 8300

页数：5

相关论文

共 27 条

[1] ELECTRONIC SPECTROSCOPY OF SMALL TRYPTOPHAN PEPTIDES IN SUPERSONIC MOLECULAR-BEAMS [J].

CABLE, JR ;

TUBERGEN, MJ ;

LEVY, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (22) :7349-7355

[2] Resonance-enhanced multiphoton ionization spectroscopy of dipeptides [J].

Cohen, R ;

Brauer, B ;

Nir, E ;

Grace, L ;

de Vries, MS .

JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (27) :6351-6355

[3] Conformational dynamics in a dipeptide after single-mode vibrational excitation [J].

Dian, BC ;

Longarte, A ;

Zwier, TS .

SCIENCE, 2002, 296 (5577) :2369-2373

[4] The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide [J].

Dian, BC ;

Longarte, A ;

Mercier, S ;

Evans, DA ;

Wales, DJ ;

Zwier, TS .

JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (23) :10688-10702

[5]

Frisch M. J., 2016, Gaussian, V16

[6] Structure of a β-sheet model system in the gas phase:: Analysis of the C=O stretching vibrations [J].

Gerhards, M ;

Unterberg, C ;

Gerlach, A .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2002, 4 (22) :5563-5565

[7] Structures of the protected amino acid Ac-Phe-OMe and its dimer:: A β-sheet model system in the gas phase [J].

Gerhards, M ;

Unterberg, C .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2002, 4 (10) :1760-1765

[8] Structures of catechol(H2O)1,3 clusters in the S0 and D0 states [J].

Gerhards, M ;

Unterberg, C ;

Kleinermanns, K .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2000, 2 (24) :5538-5544

[9] Intermolecular β-sheet stabilization with aminopyrazoles [J].

Kirsten, CN ;

Schrader, TH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (50) :12061-12068

[10] High resolution vibronic spectra of the amino acids tryptophan and tyrosine in 0.38 K cold helium droplets [J].

Lindinger, A ;

Toennies, JP ;

Vilesov, AF .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (03) :1429-1436