Open Access
Effect of the Protein Denaturants Urea and Guanidinium on Water Structure: A Structural and Thermodynamic Study
Тип публикации: Journal Article
Дата публикации: 1998-10-01
scimago Q1
wos Q1
БС1
SJR: 5.489
CiteScore: 24.4
Impact factor: 15.6
ISSN: 00027863, 15205126
General Chemistry
Catalysis
Biochemistry
Colloid and Surface Chemistry
Краткое описание
The mechanism of the denaturing effects of urea and the guanidinium ion on proteins is still an unsolved and important problem in protein chemistry. Changes in the hydrogen bond network of water in the first hydration shell of urea and guanidinium were analyzed in terms of the random network model using Monte Carlo simulations. Bulk water consists of two populations of hydrogen bonds: a predominantly linear population and a small but significant population of slightly longer and more bent hydrogen bonds. In the first shell of urea, hydrogen bonds between waters solvating the amino groups were shorter and more linear on average than those in bulk water. These changes are caused by a depletion of the more distorted hydrogen bonds. These changes in hydration water structure have previously been seen only around nonpolar solutes of solute groups. Thus urea, being entirely polar, is anomalous in this regard. Hydrogen bonds around guanidinium were longer and more bent than those in bulk water. These distortion...
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Pavone F., Madan B., Sharp K. A. Effect of the Protein Denaturants Urea and Guanidinium on Water Structure: A Structural and Thermodynamic Study // Journal of the American Chemical Society. 1998. Vol. 120. No. 41. pp. 10748-10753.
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Pavone F., Madan B., Sharp K. A. Effect of the Protein Denaturants Urea and Guanidinium on Water Structure: A Structural and Thermodynamic Study // Journal of the American Chemical Society. 1998. Vol. 120. No. 41. pp. 10748-10753.
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TY - JOUR
DO - 10.1021/ja981529n
UR - https://doi.org/10.1021/ja981529n
TI - Effect of the Protein Denaturants Urea and Guanidinium on Water Structure: A Structural and Thermodynamic Study
T2 - Journal of the American Chemical Society
AU - Pavone, F.
AU - Madan, Bhupinder
AU - Sharp, Kim A.
PY - 1998
DA - 1998/10/01
PB - American Chemical Society (ACS)
SP - 10748-10753
IS - 41
VL - 120
SN - 0002-7863
SN - 1520-5126
ER -
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@article{1998_Pavone,
author = {F. Pavone and Bhupinder Madan and Kim A. Sharp},
title = {Effect of the Protein Denaturants Urea and Guanidinium on Water Structure: A Structural and Thermodynamic Study},
journal = {Journal of the American Chemical Society},
year = {1998},
volume = {120},
publisher = {American Chemical Society (ACS)},
month = {oct},
url = {https://doi.org/10.1021/ja981529n},
number = {41},
pages = {10748--10753},
doi = {10.1021/ja981529n}
}
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Pavone, F., et al. “Effect of the Protein Denaturants Urea and Guanidinium on Water Structure: A Structural and Thermodynamic Study.” Journal of the American Chemical Society, vol. 120, no. 41, Oct. 1998, pp. 10748-10753. https://doi.org/10.1021/ja981529n.