@Article{JAMS-5-279,
author = {Srivastava , Ambrish K.Pandey , Anoop K.Gangwar , Shashi K. and Misra , Neeraj},
title = {Structural, Vibrational and Electronic Properties of cis and trans Conformers of 4-Hydroxy-l-Proline: A Density Functional Approach},
journal = {Journal of Atomic and Molecular Sciences},
year = {2014},
volume = {5},
number = {4},
pages = {279--288},
abstract = {<p style="text-align: justify;">4-hydroxy-l-proline is formed by hydroxylation of proline, an amino acid
found in protein, whose inhibition results in hair problems in human, causing scurvy
disease. We report a theoretical study on cis and trans conformers of 4-hydroxy-l-proline
using first principle density functional approach at B3LYP/6-31+G(d,p) level.
The equilibrium structures of both conformers are obtained to analyze their vibrational
properties. The calculated vibrational modes are assigned and interpreted on the basis
of potential energy distribution analysis. A good correlation has been obtained between
calculated frequencies and corresponding experimental values from FTIR spectra.
The electronic properties of both conformers are also calculated and discussed.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.022214.041814a},
url = {http://global-sci.org/intro/article_detail/jams/8294.html}
}