On the interactions of diols and DMPC monolayers

The interactions of lipid molecules with various solvent is utmost importance in the formulation drug delivery and personal care formulations. In this manuscript, a series all-atom molecular dynamics simulations were used to investigate how structural interfacial properties DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine) monolayer change when interacting range diols that have varying carbon chain lengths patterns hydroxylation. comparison water, we find all studied result more disordered thinner monolayer. Additionally, shorter hydroxyl groups on neighbouring carbons (1,2-ethanediol 1,2-propanediol) are able penetrate deeper into head group region monolayers as significantly disorder thin monolayers. Like also form hydrogen-bonded networks connect molecules. Interestingly, number butanediol these solvent-mediated between directly affected by distribution within diol results presented here provide mechanistic description chemistry will affect structures solution.