Role of Tryptophan in the Active Site of Plant Esterase: Chemical Modification and Fluorometric Studies

Plant esterase extracted from wheat flour play key roles in the spectrophotometric detection of organophosphorus compounds (OPs) for food safety and human health. The purpose of the present study was to investigate the role of tryptophan residues in the activity and structure of plant esterase by chemical modification and fluorometric studies. Active site characterization of purified plant esterase showed the involvement of tryptophan in the catalytic activity. Only one was essential for the enzyme activity by the Tsou’s analysis. Substrate protection experiments further confirmed that the tryptophan residue was located at the substrate-binding site. Fluorescence quenching studies elucidated that the tryptophan residues were largely exposed to the solvent, and a smaller fraction of the surface tryptophan residues had electropositively charged amino acids around them. Experimental results obtained here are expected to promote the applications of plant esterase in OPs detection. Further confirmation of the existence of other critical residues and detailed explanation of their functions were also required for the elucidation of the mechanism involved in the detection of OPs.     

A Facile Synthesis of Fused Phosphorus-Heterocycle with Bioactivity via Lawesson's Reagent

A convenient one-pot synthesis of fused phosphorus-heterocycles with biological activity via the cyclization reactions of Lawesson's reagent with bifunctional substrates is reported.     

EDTA-甘氨酸联合法制备LaAlO3基电解质材料及其电性能

采用EDTA-甘氨酸联合法(EGCP)合成具有钙钛矿结构的La0.90Sr0.10Al0.97Mg0.03O3-δ(LSAM)粉体。采用TG-DSC,XRD,ICP-OES和TEM对粉体进行表征。在750℃下,无定形结构的粉末直接转化为钙钛矿结构的LSAM粉体。经1000℃煅烧3 h后的粉体,团聚程度低,粒径分布均匀,平均粒径约为77 nm,具有良好的烧结性能。通过SEM对材料的显微结构进行观察并分析其对电性能的影响。采用直流四电极法在空气中测定材料的总电导率,在800℃时,EGCP合成的LSAM电解质的总电导率为1.50×10-2S.cm-1,比固相法的高47.1%。     

Application of alkoxide in catalytic transfer hydrogenation of unsaturated nitrogen compounds

Alcoholate was utilized in catalytic transfer hydrogenation of unsaturated nitrogen compounds. In the reduction of nitro compounds, oximes and imines, alkoxide was used as the promoter, with alcohol as the hydrogen source, while in the reduction of nitriles, alkoxide was used as the hydrogen source.     

Direct dynamics study of the hydrogen abstraction reaction of CF3CH2Cl + Cl → CF3CHCl + HCl

The hydrogen abstraction reaction of Cl atoms with CF₃CH₂Cl (HCFC‐133a) is investigated by using density function theory and ab initio approach, and the rate constants are calculated by using the dual‐level direct dynamics method. Optimized geometries and frequencies of reactants, transition state, and products are computed at the B3LYP/6‐311+G(2d,2p) level. To refine the energetic information along the minimum energy path, single‐point energy calculations are carried out at the G3(MP2) level of theory. The interpolated single‐point energy method is employed to correct the energy profiles for the title reaction. The rate constants are evaluated by using the canonical variational transition state theory with a small‐curvature tunneling correction over a wide range of temperature, 200–2000 K. The variational effect for the reaction is moderate at low temperatures and very small at high temperatures. However, the tunneling correction has an important contribution in the lower temperature range. The agreement between calculated rate constants and available experimental values is good at lower temperatures but diverges significantly at higher temperatures. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 661–667, 2012