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Title: To Be or Not to Be a Molecular Ion: The Role of Solvent in Photoionization of Arginine

Abstract

Application of photoionization mass spectroscopy, a technique capable of assessing protonation states in complex molecules in the gas phase, is challenging for arginine due to its fragility. We report photoionization efficiencies in the valence region of aqueous aerosol particles produced from arginine solutions at various pH and vaporization conditions. By using ab initio calculations, we investigate the stability of different conformers. Our results show that neutral arginine fragments upon ionization in the gas phase but solvation stabilizes the molecular ion, resulting in different photoionization dynamics. We also report the valence-band photoelectron spectra of the aerosol solutions obtained at different pH.

Authors:
 [1];  [2];  [1];  [2];  [2];  [2];  [2];  [3]
  1. Univ. of Southern California, Los Angeles, CA (United States). Dept. of Chemistry
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
  3. Univ. of Southern California, Los Angeles, CA (United States). Dept. of Chemistry; Hamburg Centre for Ultrafast Imaging, Hamburg (Germany)
Publication Date:
Research Org.:
Univ. of Southern California, Los Angeles, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1504365
Grant/Contract Number:  
FG02-05ER15685
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 10; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES

Citation Formats

Barrozo, Alexandre, Xu, Bo, Gunina, Anastasia O., Jacobs, Michael I., Wilson, Kevin R., Kostko, Oleg, Ahmed, Musahid, and Krylov, Anna I.. To Be or Not to Be a Molecular Ion: The Role of Solvent in Photoionization of Arginine. United States: N. p., 2019. Web. doi:10.1021/acs.jpclett.9b00494.
Barrozo, Alexandre, Xu, Bo, Gunina, Anastasia O., Jacobs, Michael I., Wilson, Kevin R., Kostko, Oleg, Ahmed, Musahid, & Krylov, Anna I.. To Be or Not to Be a Molecular Ion: The Role of Solvent in Photoionization of Arginine. United States. doi:10.1021/acs.jpclett.9b00494.
Barrozo, Alexandre, Xu, Bo, Gunina, Anastasia O., Jacobs, Michael I., Wilson, Kevin R., Kostko, Oleg, Ahmed, Musahid, and Krylov, Anna I.. Mon . "To Be or Not to Be a Molecular Ion: The Role of Solvent in Photoionization of Arginine". United States. doi:10.1021/acs.jpclett.9b00494.
@article{osti_1504365,
title = {To Be or Not to Be a Molecular Ion: The Role of Solvent in Photoionization of Arginine},
author = {Barrozo, Alexandre and Xu, Bo and Gunina, Anastasia O. and Jacobs, Michael I. and Wilson, Kevin R. and Kostko, Oleg and Ahmed, Musahid and Krylov, Anna I.},
abstractNote = {Application of photoionization mass spectroscopy, a technique capable of assessing protonation states in complex molecules in the gas phase, is challenging for arginine due to its fragility. We report photoionization efficiencies in the valence region of aqueous aerosol particles produced from arginine solutions at various pH and vaporization conditions. By using ab initio calculations, we investigate the stability of different conformers. Our results show that neutral arginine fragments upon ionization in the gas phase but solvation stabilizes the molecular ion, resulting in different photoionization dynamics. We also report the valence-band photoelectron spectra of the aerosol solutions obtained at different pH.},
doi = {10.1021/acs.jpclett.9b00494},
journal = {Journal of Physical Chemistry Letters},
number = ,
volume = 10,
place = {United States},
year = {2019},
month = {4}
}

Journal Article:
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This content will become publicly available on April 1, 2020
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