Non-Equilibrium Isomer Distribution of the Gas-Phase Photoactive Yellow Protein Chromophore

被引：64

作者：

Almasian, Mitra ^{[1
,2
]}

Grzetic, Josipa ^{[2
]}

van Maurik, Johanne ^{[1
,2
]}

Steill, Jeffrey D. ^{[2
]}

Berden, Giel ^{[2
]}

Ingemann, Steen ^{[1
]}

Buma, Wybren Jan ^{[1
]}

Oomens, Jos ^{[1
,2
,3
]}

机构：

[1] Univ Amsterdam, vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands

[2] FOM Inst Plasma Phys Rijnhuizen, NL-3439 MN Nieuwegein, Netherlands

[3] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 AJ Nijmegen, Netherlands

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2012年 / 3卷 / 16期

关键词：

P-COUMARIC ACID; PROTON-TRANSFER; ELECTRONIC-STRUCTURE; MASS-SPECTROMETRY; ABSORPTION; SPECTROSCOPY; ACIDITIES; SPECTRA; ANIONS; WATER;

D O I：

10.1021/jz300780t

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：

The conjugate base of para-coumaric acid, which can be conveniently generated in the gas phase by electrospray ionization (ESI), is a commonly used model system for the chromophore of the photoactive yellow protein. Here we report its gas phase IR spectrum, which shows that the anion easily adopts a carboxylate structure lying 60 kJ/mol higher in energy than the global minimum phenoxide structure. Generation of the biologically more relevant phenoxide isomer by ESI can be achieved using dry acetonitrile as solvent.

引用

页码：2259 / 2263

页数：5

共 34 条

[1]

[Anonymous], 1985, BIOCH BIOPHYS ACTA, V806

[2] COMPLETE CHEMICAL-STRUCTURE OF PHOTOACTIVE YELLOW PROTEIN - NOVEL THIOESTER-LINKED 4-HYDROXYCINNAMYL CHROMOPHORE AND PHOTOCYCLE CHEMIST [J].

BACA, M ;

BORGSTAHL, GEO ;

BOISSINOT, M ;

BURKE, PM ;

WILLIAMS, DR ;

SLATER, KA ;

GETZOFF, ED .

BIOCHEMISTRY, 1994, 33 (48) :14369-14377

[3] Hydrogen-shift isomerism: mass spectrometry of isomeric benzenesulfonate and 2-, 3- and 4-dehydrobenzenesulfonic acid anions in the gas phase [J].

Ben-Ari, J ;

Etinger, A ;

Weisz, A ;

Mandelbaum, A .

JOURNAL OF MASS SPECTROMETRY, 2005, 40 (08) :1064-1071

[4] Autoionization in liquid water [J].

Geissler, PL ;

Dellago, C ;

Chandler, D ;

Hutter, J ;

Parrinello, M .

SCIENCE, 2001, 291 (5511) :2121-2124

[5] Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study [J].

Gonzalez, Eneritz Muguruza ;

Guidoni, Leonardo ;

Molteni, Carla .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (22) :4556-4563

[6] Electronic structure of the photoactive yellow protein chromophore:: Ab initio study of the low-lying excited singlet states [J].

Gromov, Evgeniy V. ;

Burghardt, Irene ;

Hynes, James T. ;

Koeppel, Horst ;

Cederbaum, Lorenz S. .

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2007, 190 (2-3) :241-257

[7] Electronic structure of the PYP chromophore in its native protein environment [J].

Gromov, Evgeniy V. ;

Burghardt, Irene ;

Koeppel, Horst ;

Cederbaum, Lorenz S. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (21) :6798-6806

[8] Structure of cationized arginine (Arg•M+, M = H, Li, Na, K, Rb, and Cs) in the gas phase:: Further evidence for zwitterionic arginine [J].

Jockusch, RA ;

Price, WD ;

Williams, ER .

JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (46) :9266-9274

[9] Photodissociation pathways of gas-phase photoactive yellow protein chromophores [J].

Lammich, Lutz ;

Rajput, Jyoti ;

Andersen, Lars H. .

PHYSICAL REVIEW E, 2008, 78 (05)

[10] Solvation of p-coumaric acid in water [J].

Leenders, Elske J. M. ;

VandeVondele, Joost ;

Bolhuis, Peter G. ;

Meijer, Evert Jan .

JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (48) :13591-13599

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