摘要：Computational strategies have been employed to investigate the influence of the nature of monomers and cross-linker in order to design three dimensional imprinted polymers with selective recognition sites for L-phenylalanine benzyl ester(L-PABE)***,computational chemistry methods were applied to screen the molar quantity of functional monomers that interact with one mole of the template *** of the nature of functional monomer,cross-linker,and molar ratio were determined computationally using density functional calculations with B3LYP functional and generic 6-31G basis *** acid(MAA)and ethylene glycol dimethacrylate(EGDMA)were used as the functional monomer and crosslinking agent,respectively.L-PABE imprinted polymer layered on multiwalled carbon nanotube(MWCNT)and conventional bulk MIP were synthesised and characterized as *** investigate the influence of pre-organization of binding sites on the selectivity of L-PABE,respective non-imprinted polymers were also ***-MIPs and MIPs exhibited the highest adsorption capacity towards *** synthesized polymers revealed characteristic adsorption features and selectivity towards L-PABE in comparison with those of its enantiomer analogues.

摘要：Hydroalkoxycarbonylation of olefins has been considered to be one of the most attractive methods to synthesize esters. Controlling the regioselectivities of linear esters(L) and branched esters(B) is a challenging project for researchers working in this reaction. Although most of the attention has been paid to control the regioselectivity through ligand design in homogeneous catalytic systems, study in the area is still limited. Herein, Ru-clusters/CeO2 is employed as a heterogeneous catalyst for the hydromethoxycarbonylation of styrene without any additives. After optimization of the reaction conditions, the conversion of styrene is > 99% with 83% and 12% regioselectivity of linear and branched ester, respectively. By using different supports(CeO2(nanoparticle), CeO2-rod, and CeO2-cube), three catalysts including Ru-clusters/CeO2, Ru/CeO2-rod, and Ru/CeO2-cube are prepared and applied in the reaction. Structural characterizations demonstrate that the L/B ratio is related to the Ru size of supported Ru catalysts. Further Raman characterization and NH3-TPD demonstrate that the metal-support interaction and the concentration of oxygen vacancy of the catalyst have a great influence on the Ru size. The mechanism and kinetic analysis for this reaction are also investigated in this work.

摘要：目的:研究蟾酥的化学成分,为蟾酥的资源综合利用提供依据。方法:使用正向硅胶,二醇基硅胶,RP-18及LH-20羟丙基葡聚糖凝胶等材料从蟾酥的石油醚、乙酸乙酯、丙酮和甲醇提取部位进行分离纯化,通过理化性质及1D(1H,13C)和2D-NMR(COSY,NOESY,HSQC,HMBC)波谱分析鉴定其化合物的结构。结果:分离纯化得到12个化合物,分别鉴定为isobufalin methyl ester(1),华蟾毒它灵(2),蟾毒灵(3),远华蟾毒精(4),蟾毒它灵(5);蟾毒色胺类为5-hydroxy-Nacetyltryptamine(6),hippophamide(7),其他类为正十五烷酸(8),4,4'-二苯甲烷二氨基甲酸甲酯(9),obtucarbamate A(10),邻苯二甲酸二(2-乙基己基)酯(11),邻苯二甲酸二异辛酯(12)。结论:化合物1为新的天然产物,化合物6~8,10,12为首次从蟾酥中分离得到。

摘要：[目的]探讨微波加工对附子中双、单酯型生物碱含量的影响,为附子新型炮制品及药食两用加工品的开发提供参考。[方法]通过正交设计、直观分析和方差分析,探讨烫漂时间(A)、干燥温度(B)和微波时间(C)对附子中双、单酯型生物碱含量的影响。[结果]微波时间对双酯型生物碱含量具有极显著影响(P<0.01),对单酯型生物碱含量具有显著影响(P<0.05);烫漂时间和干燥温度仅对双酯型生物碱含量具有显著影响(P<0.05)。最佳的因素水平组合为A3B3C3,即烫漂时间为3 min,干燥温度为60℃,微波时间为5 min;在此条件下,双酯型生物碱含量为590.33μg/g,单酯型生物碱含量为802.14μg/g。[结论]微波加工能够降低附子中双酯型生物碱含量,增加单酯型生物碱含量。