In this study, a novel supramolecular hydrogel, abbreviated as AGC16/NTS, was designed and constructed by the molecular self-assembly of a cationic gemini surfactant, 1,3-bis(N,N-dimethyl-N-cetylammonium)-2-propylacrylatedibromide (AGC16), and an anionic aromatic gelator, trisodium 1,3,6-naphthalenetrisulfonate (NTS). The AGC16/NTS hydrogel was able to form in a mass ratio range of AGC16 and NTS…

In this work, we developed a coarse-grained model of sumatriptan suitable for extensive molecular dynamics simulations. First, we confirmed the interfacial distribution of this drug in bilayers through cryogenic transmission electron microscopy and small-angle X-ray scattering techniques, as was predicted by our previous atomistic simulations. Based on these simulations, we…

Effects of hydrogen bonding on the micro-structure development and mechanical properties of a bulk-polymerized Polyurea are systematically investigated from the perspective of temperatures. A two-stage temperature dependence of bidentate hydrogen bonding among hard domains, namely, slight dissociation from 85 °C to 165 °C and dramatic destruction above 165 °C, are revealed by Fourier…