JCP Nameplate
  • Volume/Page
  • Keyword
  • DOI
  • Citation
  • Advanced
   
 
 
 

You Tube Flickr Twitter UniPHY Group iResearch App Facebook

Journal of Chemical Physics / Volume 130 / Issue 21 / ARTICLES / Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry

J. Chem. Phys. 130, 214301 (2009); http://dx.doi.org/10.1063/1.3137095 (5 pages)

The parent anion of the RGD tripeptide: Photoelectron spectroscopy and quantum chemistry calculations

Xiang Li1, Haopeng Wang1, Kit H. Bowen1, G. Grégoire2, F. Lecomte2, Jean-Pierre Schermann2, and Charles Desfrançois2

1Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA
2Laboratoire de Physique des Lasers, Institut Galilée, Université Paris13, UMR7538 CNRS, F-93430 Villetaneuse, France

View MapView Map

(Received 11 February 2009; accepted 26 April 2009; published online 1 June 2009)

The gas-phase conformation of the intact (parent) unprotected RGD− peptide anion has been investigated using a combination of anion photoelectron spectroscopy and quantum chemistry calculations of its low-energy stable structures. The experimentally observed RGD− species correspond to a conformation in which the guanidinium group is protonated, the C-terminus is neutral, the aspartic acid carboxyl is deprotonated, and the anion’s excess electron orbital is localized on the protonated guanidinium. This structure is reminiscent of the RGD loop, which is the peptide motif recognized by trans-membrane integrins. The parent RGD− radical anion was generated using a unique infrared desorption-photoemission-helium jet ion source, whose ability to produce radical anions of peptides may also have analytical mass spectrometric implications.

© 2009 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. METHODS AND RESULTS
    1. Experimental
    2. Computational
  3. DISCUSSION

RELATED DATABASES

To view database links for this article, you need to log in.

KEYWORDS and PACS

Keywords

biochemistry, biomembranes, dissociation, mass spectra, molecular biophysics, photoelectron spectra, proteins

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3137095

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    S. T. Stokes, X. Li, A. Grubisic, Y. J. Ko, and K. H. Bowen, J. Chem. Phys. 127, 084321 (2007)JCPSA6000127000008084321000001.

    S. T. Stokes, A. Grubisic, X. Li, Y. -J. Ko, and K. H. Bowen, J. Chem. Phys. 128, 044314 (2008)JCPSA6000128000004044314000001.

    M. Mitsui and A. Nakajima, J. Chem. Phys. 117, 9740 (2002)JCPSA6000117000021009740000001.

    A. Schaefer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 100, 5829 (1994)JCPSA6000100000008005829000001.

    A. Schafer, H. Horn, and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992)JCPSA6000097000004002571000001.


Figures (4) Tables (2)

Access to article objects (figures, tables, multimedia) requires a subscription; log in to view available files.
(Access to supplementary files, where available, is free for this journal.)

Access to article objects (figures, tables, multimedia) requires a subscription; log in to view available files.
(Access to supplementary files, where available, is free for this journal.)


Close

Google Calendar

ADVERTISEMENT

Your Recent History Recent History Help

Recently Viewed

  1. The parent anion of the RGD tripeptide: Photoelectron spectroscopy and quantum chemistry calculations
  2. A homogeneous nonequilibrium molecular dynamics method for calculating thermal conductivity with a three-body potential
  3. Magnetic anisotropy from density functional calculations. Comparison of different approaches: Mn12O12 acetate as a test case
  4. Parallel computation of coupled-cluster hyperpolarizabilities
  5. Doppler widths in electron quasielastic scattering from molecular gases
Go to AIP Home
Copyright © American Institute of Physics
close