Output details
12 - Aeronautical, Mechanical, Chemical and Manufacturing Engineering
University of Sheffield : B - Chemical and Biological engineering
Article title
Characterization of Low-Frequency Modes in Aqueous Peptides Using Far-Infrared Spectroscopy and Molecular Dynamics Simulation
Type
D - Journal article
Title of journal
The Journal of Physical Chemistry A
Article number
-
Volume number
115
Issue number
42
First page of article
11559
ISSN of journal
15205215
Year of publication
2011
URL
-
Number of additional authors
3
Additional information
Far-infrared spectroscopy is a powerful yet underutilised analytical technique mainly due to a lack of the knowledge required to enable interpretation of the spectra. This paper combined experimental work using a powerful synchrotron light source and molecular dynamic simulation to interpret the spectra of synthetic peptides. Both ab initio simulation of the infrared spectrum and vibrational density of states were used to confirm peak allocation to the secondary structure of the synthetic peptides studied. This technique is now available to the scientific community as an option for studying peptide structures.
Interdisciplinary
-
Cross-referral requested
-
Research group
None
Proposed double-weighted
No
Double-weighted statement
-
Reserve for a double-weighted output
No
Non-English
No
English abstract
-
