The Study of the glycine hydration and of the sulpho- cation-exchanger in the glycine and valine forms structure by quantum chemistry methods
Keywords:
quantum-chemical modeling, hydration, glycine , valine, sulpho-cation-exchanger, structural-group analysis.
Abstract
The hydration of the glycine zwitterionic and cationic forms have been modeled by the quantum
chemistry Methods. The «conformers» of hydrated structure with fixed an amount of the molecules of
water are find. Conclusion on the dissociation of the ion pair of the sulpho- cation-exchanger in the
glycine and valine forms was made
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References
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Acids in the Zwitterionic State in Aqueous Solution and theSolid State: DFT Calculations
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аминокислот в растворах. // Биофизика, 2005, N 6, стр. 965-973.
2. Kuman D., Goyal R.K. Advances in Thermodynamics of Amino Acid Solutions.// J.
Indian Chem. Soc.,1997, V.74, pp.521-524.
3. Dixit S.B., Bhasin, Rajasekaran E., Jayaram B. Solvation thermodynamics of amino
acids. // J.Chem.Soc.Faraday Trans., 1997, V.93, N6, pp.1105-1113.
4. Зяблов А.Н., Елисеева Т. В. Гидратация нейтральных аминокислот в разных
ионных формах. // ЖФХ, 2001, т.75, №3, с.545-548.
5. Diken E. G.,Headrick J. M.,Johnson M. A. Photoelectron spectroscopy in the
glycinexН2О-clusters: sequential hydration shifts and observation of isomers. // J. Chem.
Phys. , 2005, N 22 , рр. 224317/1-224317/6.
6. Ken-taro S. Hydration structure of glycine molecules in aqueous alkaline solutions /
S. Ken-taro, K. Yasuo, U. Takeshi etc. // Bull. Chem. Soc. Jap. – 2000. – V. 73, № 9. – P.
1967 – 1972.
7. Chowdhry B.Z., Dines T.J., Jabeen S., Withnall R. Vibrational Spectra of r-Amino
Acids in the Zwitterionic State in Aqueous Solution and theSolid State: DFT Calculations
and the Influence of Hydrogen Bonding.// J. Phys. Chem. A 2008, V.112, N41, pp.10333–10347.
Published
2019-11-26
How to Cite
Nechaeva, L. S., Butyrskaya, E. V., Shaposhnik, V. A., & Selemenev, V. F. (2019). The Study of the glycine hydration and of the sulpho- cation-exchanger in the glycine and valine forms structure by quantum chemistry methods. Sorbtsionnye I Khromatograficheskie Protsessy, 11(2). Retrieved from https://journals.vsu.ru/sorpchrom/article/view/1909
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