A green and efficient one pot, three component protocol for synthesis of naphthopyranopyrimidines by cyclocondensation of β-naphthol, aldehyde, and 6-amino-1,3-dimethyluracil using L-proline as a beneficial catalyst with high catalytic activity under solvent-free conditions at 100 °C is described. In this study, several types of aromatic aldehyde, containing electron-withdrawing groups as well ...

Interaction with the solvent plays a critical role in modulating the structure and dynamics of a protein. Because of the heterogeneity of the interaction strength, it is difficult to identify multi-scale structural response. Using a coarse-grained Monte Carlo approach, we study the structure and dynamics of a protein (H3.1) in effective solvent media. The structural response is examined as a fu...

Glyphosate is a systemic and non-selective herbicide consisting of a glycine and a phosphonomethyl group [1]. The use of glyphosate-based herbicides (GBHs) has increased significantly as to be worthy of attention in the health areas, both environmental and human health [2]. In case of treatment, e.g. water depollution, it is important to know the details of molecular degradation mechanism. Comp...

Solvent effects on polymer dynamics and structure are investigated using a mesoscopic solvent model that accounts for hydrodynamic interactions among the polymer beads. The simulation method combines molecular dynamics of the polymer chain, interacting with the solvent molecules through intermolecular forces, with mesoscopic multiparticle collision dynamics for the solvent molecules. Changes in...

Two significant advances are reported for solvent-based self-healing of epoxy materials. First, an autonomic system yielding complete recovery of fracture toughness after crack propagation was achieved by embeddingmicrocapsules containing amixture of epoxy monomer and solvent into an epoxy matrix. Healing with epoxy-solvent microcapsules is superior to capsules that contain solvent alone, and m...