A convenient synthetic method for the synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetra substituted imidazole derivatives, has been developed via one-pot condensation reaction in solvent-free condition when aldehyde, ammonium acetate/amine, and 1,2-diketone are reacted using 0.8 mol% of NP-LaMnO3 at 80 °C under solvent free conditions. Catalyst could be recovered and reused in five reaction c...

The effects of solvent on molecular processes such as excited state relaxation and photochemical reaction often occurs in a nonequilibrium regime. Dynamic processes such as these can be simulated using excited statemolecular dynamics. In this work, we describe methods of simulating nonequilibrium solvent effects in excited statemolecular dynamics using linear-response time-dependent density fun...

an efficient and environmentally benign   method for the synthesis of aryl iodides have been developed by diazotization of aromatic amines with nano2 and nanosilica periodic acid (nano-spia) as a green catalyst via grinding followed by a sandmeyer iodination by ki under solvent-free conditions at room temperature. the ensuing aryl diazonium salts supported on nano-spia were sufficiently stable ...

Solvent effects on the rates of some well-known nuclophilic substitution reactions have been analysed in terms of initial—state and transition-state contributions. Where possible, the latter have been further analysed by the method of model solutes, on which solvent effects on a transition state are compared to solvent effects on a solute that might be a suitable model for the transition state....

Chemometric tools were used to generate the modelling of solvent effects on the N-alkylation of an isocyanuric acid salt. The method proceeded from a central composite design applied on the Carlson solvent classification using principal components analysis. The selectivity of the reaction was studied from the production of different substituted isocyanuric derivatives. Response graphs were obta...

A sensitive determination method was developed for the analysis of pyrethroid pesticide residues in tomato samples using ionic liquid-based dispersive liquid-liquid microextraction. A hydrophobic ionic liquid (1-butyl-3-methylimidazolium hexafluorophosphate) and acetonitrile were used as the extraction solvent and dispersive solvent, respectively. The following experimental parameters affecting...

A simultaneous stability-indicating HPLC method for the determination of cisapride, methylparaben and propylparaben in oral suspensions has been developed and validated. Baseline separation was achieved on a C18 column at room temperature (25°C) by gradient elution with mobile phase consisting of solvent A: 10% v/v acetonitrile in 0.13% w/v sodium-1pentanesulfonate pH 8 and solvent B: acetonitr...

The dynamic and static properties of molecular dynamics simulations using various methods for treating solvent were compared. The SH3 protein domain was chosen as a test case because of its small size and high surface-to-volume ratio. The simulations were analyzed in structural terms by examining crystal packing, distribution of polar residues, and conservation of secondary structure. In additi...

We have developed explicit- and implicit-solvent models for the flash nanoprecipitation process, which involves rapid coprecipitation of block copolymers and solutes by changing solvent quality. The explicit-solvent model uses the dissipative particle dynamics (DPD) method and the implicit-solvent model uses the Brownian dynamics (BD) method. Each of the two models was parameterized to match ke...

in order to enhance in vitro dissolution and content uniformity of poorly soluble drug glimepiride by preparing solid dispersions using modified solvent fusion method, solid dispersions of drug were prepared by modified fusion solvent method using peg 6000 and pvp k25 (as carrier). eight batches (f1-f8) were prepared by factorial design (23) by taking three factors i.e. the concentration of: dr...