In this work the calculated nuclear quadrupole coupling constants (NQCC; chi) of 17O in artemisinin and some of its derivatives and the effects of charge density due to the nature of ligands on NQCC of 17O were investigated. All calculations were performed at the HF/3-21G level using the Gaussian 98 program. The results show that the O-O linkage has a characteristic role in the antimalarial activity of artemisinin. In addition, various substitutions on C4 change the charge density on these oxygens and consequently change the pharmaceutical effect of artemisinin. Our results suggest that due to a larger charge density on O1, the heme iron approaches the endoperoxide moiety at the O1 position with preference to the O2 position. 相似文献
The new inorganic–organic hybrids based on SO3H‐functionalized ionic liquids (ILs) and Keggin‐type heteropoly acids (H3PW12O40, H3PMo12O40, and H4SiW12O40; HPAs) are prepared and characterized by FT‐IR, NMR, XRD, CV, SEM/EDX, ICP‐OES, BJH and UV. Different molecular structures according to the different inorganic part were also proved. Potentiometric titration showed a good relationship between catalytic activity and acidity of the catalysts. Electrochemical aspects showed electron transfer ability of the compounds. For understanding catalytic activities of the HPA‐IL hybrids in N‐formylation reaction, effect of catalyst composition, substrate, and reaction conditions were studied. The best SO3H‐functionalized ionic liquid catalyst was readily recovered and reused for four runs. Easy preparation of the catalyst, simple and easy work‐up, mild reaction conditions, low cost, excellent yields and short reaction times are the key features of this work. 相似文献
The activity of the [Pd{C6H4(CH2N(CH2Ph)2)}(µ-Br)]2 complex was investigated in the synthesis of symmetrical biaryls under both conventional and microwave irradiation conditions, and their results were compared. This complex is efficient, stable, and not sensitive to air or moisture and is a catalyst for the homo-coupling reaction of aryl iodides, bromides, and even chlorides. The products were produced in excellent yields in short reaction times using a catalytic amount of [Pd{C6H4(CH2N(CH2Ph)2)(µ-Br)]2 complex in N-methylpyrolidine (NMP) at 130 °C. In comparison to conventional heating conditions, the reactions under microwave irradiation gave better yields in shorter reaction times. 相似文献
The catalytic activity of an oxidovanadium(IV) unsymmetrical Schiff base complex supported on γ-Fe2O3 magnetic nanoparticles, γ-Fe2O3@[VO(salenac-OH)] in which salenac-OH?=?[9-(2′,4′-dihydroxyphenyl)-5,8-diaza-4-methylnona-2,4,8-trienato](-2), was explored in the oxidation of hydrocarbons with tert-butyl hydroperoxide (TBHP, 70% aqueous solution) as oxidant. High catalytic activity and selectivity were demonstrated by this magnetic nanocatalyst in alkane hydroxylation and alkene epoxidation, and the corresponding products were obtained with good to excellent yields in acetonitrile at 50 °C. Reasonable catalytic activity was presented by this supported catalyst in the epoxidation of linear alkenes under optimal reaction conditions. In addition, alkylbenzene derivatives and cycloalkanes can be oxidized to their corresponding alcohols and ketones with good yields in this catalytic system. It is possible to magnetically separate the γ-Fe2O3@[VO(salenac-OH)] catalyst and reuse it four times without losing the activity significantly. Moreover, the catalyst structure and morphology do not change after recovery, as indicated by comparing scanning electron microscopy (SEM) image, Fourier transform infrared (FT-IR) and diffuse reflectance spectrum (DRS) of the recovered catalyst with those of the fresh catalyst.
In this work, a series of eight new spiro[3,4′]1,3-dihydro-2H-indol-2-one-2′-amino-4′,6′,7′,8′-tetrahydro-2′,5’(1’H,3’H)-quinazoline-diones were successfully synthesized through a three-component reaction of 1H-indole-2,3-diones (isatins), guanidine nitrate, and 1,3-cyclohexanediones, by use of Kit-6 mesoporous silica coated Fe3O4 nanoparticles (Fe3O4@SiO2@KIT-6) as a highly efficient magnetically separable nanocatalyst in aqueous media at 60°C. Several notable features of thiseco-friendly protocol are high yields of products, short reaction times, operational simplicity, and the use of easily available and recyclable catalyst. 相似文献