caa a22 4500 445327685 CHVBK 20180317142726.0 cr unu---uuuuu 170323e20110901xx s 000 0 eng 10.1007/s10953-011-9745-8 doi (NATIONALLICENCE)springer-10.1007/s10953-011-9745-8 Solute-Solvent Interactions in Aqueous Glycylglycine-CuCl2 Solutions: Acoustical and Molecular Dynamics Perspective [Elektronische Daten] [Mysore Santosh, Alexander Lyubartsev, Alexander Mirzoev, Denthaje Bhat] Acoustical and molecular dynamics studies were carried out to understand the various interactions present in glycylglycine-CuCl2 aqueous solutions. Amongst these interactions, hydrogen bonding and solute-solvent interactions have been highlighted in this study. The radial distribution function (RDF) was used to investigate solution structure and hydration parameters. Binding of Cu2+ with various polar peptide atoms reveals the nature and degree of binding. The formation of complex clusters between glycylglycine and water molecules increases the relaxation time. The first hydration shell considerably influences the structure of the second shell, facilitating the formation of an ordered hydrogen bonded network. Both experimental and theoretical results have proved to be efficient in analyzing the behavior of molecules and to give a clear idea on molecular interactions in solutions. Springer Science+Business Media, LLC, 2011 Speed of sound nationallicence Molecular dynamics nationallicence CuCl2 nationallicence Aqueous solutions nationallicence Santosh Mysore Physical Chemistry Division, Department of Chemistry, National Institute of Technology Karnataka, 575025, Surathkal, Mangalore, India aut Lyubartsev Alexander Division of Physical Chemistry, Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, 10691, Stockholm, Sweden aut Mirzoev Alexander Division of Physical Chemistry, Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, 10691, Stockholm, Sweden aut Bhat Denthaje Physical Chemistry Division, Department of Chemistry, National Institute of Technology Karnataka, 575025, Surathkal, Mangalore, India aut Journal of Solution Chemistry Springer US; http://www.springer-ny.com 40/9(2011-09-01), 1657-1671 0095-9782 40:9<1657 2011 40 10953 https://doi.org/10.1007/s10953-011-9745-8 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10953-011-9745-8 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Santosh Mysore Physical Chemistry Division, Department of Chemistry, National Institute of Technology Karnataka, 575025, Surathkal, Mangalore, India aut NATIONALLICENCE 700 1- Lyubartsev Alexander Division of Physical Chemistry, Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, 10691, Stockholm, Sweden aut NATIONALLICENCE 700 1- Mirzoev Alexander Division of Physical Chemistry, Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, 10691, Stockholm, Sweden aut NATIONALLICENCE 700 1- Bhat Denthaje Physical Chemistry Division, Department of Chemistry, National Institute of Technology Karnataka, 575025, Surathkal, Mangalore, India aut NATIONALLICENCE 773 0- Journal of Solution Chemistry Springer US; http://www.springer-ny.com 40/9(2011-09-01), 1657-1671 0095-9782 40:9<1657 2011 40 10953 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer