English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  The Structure of the Protonated Serine Octamer

Scutelnic, V., Perez, M. A. S., Marianski, M., Warnke, S., Gregor, A., Rothlisberger, U., et al. (2018). The Structure of the Protonated Serine Octamer. Journal of the American Chemical Society, 140(24), 7554-7560. doi:10.1021/jacs.8b02118.

Item is

Basic

show hide
Genre: Journal Article

Files

show Files
hide Files
:
jacs.8b02118.pdf (Publisher version), 2MB
Name:
jacs.8b02118.pdf
Description:
-
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
2018
Copyright Info:
Editors' Choice
:
2596731.pdf (Copyright transfer agreement), 169KB
 
File Permalink:
-
Name:
2596731.pdf
Description:
-
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show

Creators

show
hide
 Creators:
Scutelnic, Valeriu1, Author
Perez, Marta A. S.2, Author
Marianski, Mateusz3, Author              
Warnke, Stephan3, Author              
Gregor, Aurelien2, Author
Rothlisberger, Ursula2, Author
Bowers, Michael T.4, Author
Baldauf, Carsten5, Author              
Helden, Gert von3, Author              
Rizzo, Thomas R.1, Author
Seo, Jongcheol3, Author              
Affiliations:
1Laboratory of Molecular Physical Chemistry, Ecole Polytechnique Fédérale de Lausanne, Station 6, CH-1015 Lausanne, Switzerland, ou_persistent22              
2Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland, ou_persistent22              
3Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
4Department of Chemistry and Biochemistry, University of California Santa Barbara, Santa Barbara, California 93106, United States, ou_persistent22              
5Theory, Fritz Haber Institute, Max Planck Society, ou_634547              

Content

show
hide
Free keywords: -
 Abstract: The amino acid serine has long been known to form a protonated “magic-number” cluster containing eight monomer units that shows an unusually high abundance in mass spectra and has a remarkable homochiral preference. Despite many experimental and theoretical studies, there is no consensus on a Ser8H+ structure that is in agreement with all experimental observations. Here, we present the structure of Ser8H+ determined by a combination of infrared spectroscopy and ab initio molecular dynamics simulations. The three-dimensional structure that we determine is ∼25 kcal mol-1 more stable than the previous most stable published structure and explains both the homochiral preference and the experimentally observed facile replacement of two serine units.

Details

show
hide
Language(s): eng - English
 Dates: 2018-02-212018-04-112018-06-20
 Publication Status: Published in print
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/jacs.8b02118
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Journal of the American Chemical Society
  Abbreviation : JACS
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Washington, DC : American Chemical Society
Pages: 7 Volume / Issue: 140 (24) Sequence Number: - Start / End Page: 7554 - 7560 Identifier: ISSN: 0002-7863
CoNE: https://pure.mpg.de/cone/journals/resource/954925376870