Glycine molecules in ionic liquid based reverse micelles: Investigation of structure and dynamics using molecular dynamics simulations

Molecular dynamics simulations of water/[C1C10Im][Br]/nonane reverse micellar systems containing varying number of glycine molecules provide the atomic level details of the effect of nano-space confinement of amino acids on the structure and dynamics of reverse micellar aqueous core. Reverse micelles are formed from a uni-form configuration of [C1C10Im][Br] ions and the glycine molecules and the bromide ions are encapsulated within the reverse micelle. The mobility of glycine and water molecules is correlated with the lifetime of the hydrogen bonds formed between them. 182