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Science 10 March 1995:
Vol. 267. no. 5203, pp. 1483 - 1485
DOI: 10.1126/science.267.5203.1483

Articles

Conformation of Macromolecules in the Gas Phase: Use of Matrix-Assisted Laser Desorption Methods in Ion Chromatography

Gert von Helden 1, Thomas Wyttenbach 1, and Michael T. Bowers 1

1 Department of Chemistry, University of California, Santa Barbara, CA 93106, USA.

Conformational data for macromolecules in the gas phase have been obtained by the coupling of a matrix-assisted laser desorption ion source to an ion chromatograph. A series of polyethylene glycol (PEG) polymers "cationized" (converted to a cation) by sodium ions (Na+PEG9 to Na+PEG19) and a protonated neurotransmitter protein, bradykinin, were studied. Mobilities of Na+PEG9 to Na+PEG19 are reported. Detailed modeling of Na+PEG9 with molecular mechanics methods indicates that the lowest energy structure has the Na+ ion "solvated" by the polymer chain with seven oxygen atoms as nearest neighbors. The agreement between the model and experiment is within 1 percent for Na+PEG9, Na+PEG13, and Na+PEG17, giving strong support to both the method and the deduced structures. Similar agreement was obtained in initial studies that modeled experimental data for arginine-protonated bradykinin.

Submitted on October 13, 1994
Accepted on January 10, 1995


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