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4585178 
Journal Article 
Heterogeneous structure and solvation dynamics of DME/water binary mixtures: A combined spectroscopic and simulation investigation 
Das Mahanta, D; Rana, D; Patra, A; Mukherjee, B; Mitra, RK 
2018 
Yes 
Chemical Physics Letters
ISSN: 0009-2614 
700 
50-56 
WOS:000431000600008 
Water is often found in (micro)-heterogeneous environments and therefore it is necessary to understand their H-bonded network structure in such altered environments. We explore the structure and dynamics of water in its binary mixture with relatively less polar small biocompatible amphiphilic molecule 1,2-Dimethoxyethane (DME) by a combined spectroscopic and molecular dynamics (MD) simulation study. Picosecond (ps) resolved fluorescence spectroscopy using coumarin 500 as the fluorophore establishes a non-monotonic behaviour of the mixture. Simulation studies also explore the various possible H-bond formations between water and DME. The relative abundance of such different water species manifests the heterogeneity in the mixture. (C) 2018 Elsevier B.V. All rights reserved.