Molecular Insights into Gelation of Di-Fmoc-l-Lysine in Organic Solvent-Water Mixtures.

ABSTRACT: Despite significant interest in molecular gels due to their intriguing structure formation through self-assembly and their stimuli-responsive behavior, our understanding of the gel formation mechanism of a low-molecular-weight gelator (LMWG) is incomplete. Here, we report a combined experimental and computational study on a LMWG, di-Fmoc-l-lysine, that has two aromatic moieties and multiple hydrogen bond donors and acceptors. Gelation in various organic solvent-water mixtures was obtained through the solvent-triggered technique. We show that an approach based on approximate cohesive energy density derived from density functional theory (DFT) calculations can capture the experimental solubility trend of LMWGs in different organic solvents. Furthermore, DFT calculations indicate parallel and

SUBMITTER: Hashemnejad SM 

PROVIDER: S-EPMC6640949 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature