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Title: Cryogenic “Iodide-Tagging” Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids

Abstract

This work showcases cryogenic and temperature-dependent “iodide-tagging” photoelectron spectroscopy to probe specific binding sites of amino acids using the glycine-iodide complex (Gly?I-) as a case study. Multiple Gly?I- isomers were generated from ambient electrospray ionization and kinetically isolated in a cryogenic ion trap. These structures were characterized with temperature-dependent “iodide-tagging” negative ion photoelectron spectroscopy (NIPES) where iodide was used as the “messenger” to interpret electronic energetics and structural information of various Gly?I- isomers. Accompanied by theoretical computations and Franck-Condon simulations, a total of five cluster structures have been identified along with their various binding motifs. This work demonstrates that “iodide-tagging” NIPES is a powerful general means for probing specific binding interactions in biological molecules of interest.

Authors:
 [1]; ORCiD logo [2];  [2]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [4]; ORCiD logo [2]
+ Show Author Affiliations
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Univ. of Science and Technology of China, Hefei (China)
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  3. Hefei Univ. of Technology (China)
  4. Univ. of Minnesota, Minneapolis, MN (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1639918
Report Number(s):
PNNL-SA-152646
Journal ID: ISSN 1948-7185;1948-7185
Grant/Contract Number:  
AC05-76RL01830
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 11; Journal Issue: 11; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Zhang, Hanhui, Cao, Wenjin, Yuan, Qinqin, Zhou, Xiaoguo, Valiev, Marat, Kass, Steven R., and Wang, Xue-Bin. Cryogenic “Iodide-Tagging” Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids. United States: N. p., 2020. Web. doi:10.1021/acs.jpclett.0c01099.
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Zhang, Hanhui, Cao, Wenjin, Yuan, Qinqin, Zhou, Xiaoguo, Valiev, Marat, Kass, Steven R., & Wang, Xue-Bin. Cryogenic “Iodide-Tagging” Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids. United States. https://doi.org/10.1021/acs.jpclett.0c01099
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Zhang, Hanhui, Cao, Wenjin, Yuan, Qinqin, Zhou, Xiaoguo, Valiev, Marat, Kass, Steven R., and Wang, Xue-Bin. Wed . "Cryogenic “Iodide-Tagging” Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids". United States. https://doi.org/10.1021/acs.jpclett.0c01099. https://www.osti.gov/servlets/purl/1639918.
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@article{osti_1639918,
title = {Cryogenic “Iodide-Tagging” Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids},
author = {Zhang, Hanhui and Cao, Wenjin and Yuan, Qinqin and Zhou, Xiaoguo and Valiev, Marat and Kass, Steven R. and Wang, Xue-Bin},
abstractNote = {This work showcases cryogenic and temperature-dependent “iodide-tagging” photoelectron spectroscopy to probe specific binding sites of amino acids using the glycine-iodide complex (Gly?I-) as a case study. Multiple Gly?I- isomers were generated from ambient electrospray ionization and kinetically isolated in a cryogenic ion trap. These structures were characterized with temperature-dependent “iodide-tagging” negative ion photoelectron spectroscopy (NIPES) where iodide was used as the “messenger” to interpret electronic energetics and structural information of various Gly?I- isomers. Accompanied by theoretical computations and Franck-Condon simulations, a total of five cluster structures have been identified along with their various binding motifs. This work demonstrates that “iodide-tagging” NIPES is a powerful general means for probing specific binding interactions in biological molecules of interest.},
doi = {10.1021/acs.jpclett.0c01099},
journal = {Journal of Physical Chemistry Letters},
number = 11,
volume = 11,
place = {United States},
year = {Wed May 13 00:00:00 EDT 2020},
month = {Wed May 13 00:00:00 EDT 2020}
}
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https://doi.org/10.1021/acs.jpclett.0c01099
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