No abstract

The development of effective NNRTIs is moving on from trial-and-error approaches to sophisticated subconscious strategies. Several newly emerging structure-based virtual screening methodologies (such as Monte Carlo free energy perturbation calculations) or new drug design insights, such as taking full use of the specific noncovalent reverse transcriptase/NNRTIs interactions, stereochemical diversity-oriented conformational restriction, novel strategies to enhance solubility and early absorption, distribution, metabolism, excretion, and toxicity (ADMET) assessment, will continue to evolve to complement the classical NNRTIs discovery approaches (structure-based core-refining and substituents-decorating).

Deposition of nanocrystalline TiO 2 coating at low temperature is becoming more attractive due to the possibility for continuous roll production of the coating for assembly lines of dye-sensitized solar cell (DSC) at a low cost. In this study, porous nano-TiO 2 coating was deposited by vacuum cold spraying (VCS) at room temperature on a conducting glass substrate using commercial P25 nanocrystalline TiO 2 powder. The microstructure of TiO 2 coating was characterized by field emission scanning electron microscopy (FESEM) and nitrogen adsorption test. A commercial dye (N719) was adsorbed on the surface of TiO 2 particles within the coating to assemble a DSC. The cell performance was evaluated by employing simulated solar light at an intensity of 100 mW/cm 2 . The results showed that TiO 2 coating was deposited by the agglomerates of nano-TiO 2 powders. The Brunauer-Emmett-Teller (BET) test of the as-sprayed TiO 2 coating yielded a porosity of 49% and an average pore size of 17 nm. The assembled solar cell yielded a short-circuit current density of 7.3 mA/cm 2 and an energy conversion efficiency of 2.4%. The test results indicate that VCS was a promising method to deposit nanocrystalline TiO 2 coatings at low temperature applied to DSCs.

Three series of new pyrimidine derivatives were synthesized and their antifungal activities were evaluated in vitro against fourteen phytopathogenic fungi. The results indicated that most of the synthesized compounds possessed fungicidal activities and some of them are more potent than the control fungicides. Preliminary SAR was also discussed.