Infrared multiphoton dissociation spectroscopy of protonated N-acetyl-alanine and alanyl-histidine

被引：65

作者：

Lucas, B

Grégoire, G

Lemaire, J

Maître, P

Glotin, F

Schermann, JP

Desfrançois, C

机构：

[1] Univ Paris 13, CNRS, UMR 7538, Phys Lasers LabInst Galilee, F-93430 Villetaneuse, France

[2] Univ Paris 11, CNRS, UMR 8000, Chim Phys Lab, F-91405 Orsay, France

[3] Univ Paris 11, CNRS, CEA, UMR 130,CLIO,LURE, F-91405 Orsay, France

来源：

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY | 2005年 / 243卷 / 02期

关键词：

IRMPD; infrared spectroscopy; protonated peptides; frequency calculations;

D O I：

10.1016/j.ijms.2005.01.002

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Using Fourier transform ion cyclotron resonance mass-spectrometry (FT-ICR-MS) in combination with infrared multiphoton dissociation (IRMPD) spectroscopy, at the free electron laser (FEL) facility CLIO in Orsay (France), we obtain the IR spectra, in the 900-1900 cm(-1) range, of two model protonated dipeptides: N-acetyl-alanine (AcNH-Ala) and alanyl-histidine (Ala-His). By comparison with simulated spectra, calculated at the B3LYP/6-31++G(**) level for many low-lying possible conformers of these two species, we are able to assign the position of the protonation site, on the acetyl oxygen for AcNH-Ala and on the side-chain imidazole nitrogen for Ala-His, and to obtain some more information on the low-lying equilibrium structures of these two species in the gas phase. (c) 2005 Elsevier B.V. All rights reserved.

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页码：105 / 113

页数：9

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共 26 条

[1] Photodissociation of protonated amino acids and peptides in an ion storage ring. Determination of Arrhenius parameters in the high-temperature limit [J].

Andersen, JU ;

Cederquist, H ;

Forster, JS ;

Huber, BA ;

Hvelplund, P ;

Jensen, J ;

Liu, B ;

Manil, B ;

Maunoury, L ;

Nielsen, SB ;

Pedersen, UV ;

Rangama, J ;

Schmidt, HT ;

Tomita, S ;

Zettergren, H .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (10) :2676-2681

[2] Gas phase infrared spectroscopy of mono- and divanadium oxide cluster cations [J].

Asmis, KR ;

Meijer, G ;

Brümmer, M ;

Kaposta, C ;

Santambrogio, G ;

Wöste, L ;

Sauer, J .

JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (14) :6461-6470

[3] Hydrated complexes of tryptophan:: ion dip infrared spectroscopy in the 'molecular fingerprint' region, 100-2000 cm-1 [J].

Çarçabal, P ;

Kroemer, RT ;

Snoek, LC ;

Simons, JP ;

Bakker, JM ;

Compagnon, I ;

Meijer, G ;

von Helden, G .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (19) :4546-4552

[4] Competition between local conformational preferences and secondary structures in gas-phase model tripeptides as revealed by laser spectroscopy and theoretical chemistry [J].

Chin, W ;

Mons, M ;

Dognon, JP ;

Piuzzi, F ;

Tardivel, B ;

Dimicoli, I .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (10) :2700-2709

[5] Direct measurement of energy thresholds to conformational isomerization in tryptamine [J].

Dian, BC ;

Clarkson, JR ;

Zwier, TS .

SCIENCE, 2004, 303 (5661) :1169-1173

[6] KINETICS OF LOW-INTENSITY INFRARED-LASER PHOTODISSOCIATION - THE THERMAL-MODEL AND APPLICATION OF THE TOLMAN THEOREM [J].

DUNBAR, RC .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (04) :2537-2548

[7] β-sheet model systems in the gas phase:: Structures and vibrations of Ac-Phe-NHMe and its dimer (Ac-Phe-NHMe)2 [J].

Gerhards, M ;

Unterberg, C ;

Gerlach, A ;

Jansen, A .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (10) :2682-2690

[8] Electron capture dissociation and infrared multiphoton dissociation MS/MS of an N-glycosylated tryptic peptide to yield complementary sequence information [J].

Häkansson, K ;

Cooper, HJ ;

Emmett, MR ;

Costello, CE ;

Marshall, AG ;

Nilsson, CL .

ANALYTICAL CHEMISTRY, 2001, 73 (18) :4530-4536

[9] How do small water clusters bind an excess electron? [J].

Hammer, NI ;

Shin, JW ;

Headrick, JM ;

Diken, EG ;

Roscioli, JR ;

Weddle, GH ;

Johnson, MA .

SCIENCE, 2004, 306 (5696) :675-679

[10] Conformers of the peptides glycine-tryptophan, tryptophan-glycine and tryptophan-glycine-glycine as revealed by double resonance laser spectroscopy [J].

Hünig, I ;

Kleinermanns, K .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (10) :2650-2658