| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7673025 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2014 | 9 Pages |
Abstract
- A general electrostatic potential map was built for modeling the amide I frequency of NMA.
- The map is transferable for NMA in different solvation environments.
- The microstructure of NMA in different solvents was revealed.
- The contributions to the amide I frequency shift from solvents or the peptide side chain were demonstrated.
- The simulated IR spectra of amide I mode reproduces the experimental data satisfactorily.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Kaicong Cai, Tingting Su, Shen Lin, Renhui Zheng,