摘要
以S-萘普生为模板，分别采用丙烯酰胺（AM）、N-乙烯基吡咯烷酮（NVP）和甲基丙烯酸（MAA）3种功能单体，合成了印迹聚合物P1、P2和P3。用UV和Chem3D计算模拟，研究了功能单体与模板分子之间的相互作用，经PM3半经验方法计算得到AM、NVP、MAA与模板分子之间的相互作用能分别为-32．06、-21．01和-1．55kJ／mol。平衡结合实验测得当底物浓度为0．1mmol／L时，P1、P2和P3的吸附量分别为0．360、0．305和0．150μmol；在浓度为0．1～4mmol／L时，3种分子印迹聚合物对S-萘普生的吸附量大小关系为P1〉P2〉P3，这与计算出的功能单体与模板分子之间的相互作用能大小关系一致。
Using S-naproxen as template, molecularly imprinted polymers P1, P2 and P5 were synthesized by different functional monomers, acrylamide （AM）, methacrylic acid （MAA） and Nvinylpyrrolidone （NVP） respectively. By means of UV spectroscopy and computational approach, interaction between the template molecule and functional monomer was studied. The binding energy of the pre-polymerization was calculated by use of PM3 method. Binding isotherms reveal that when the concentration of substrate is 0. 1 mmol/L, the amounts of S-naproxen bound to P1, P2 and P5 are 0. 360,0. 305 and 0. 150 μmol respectively. The order of binding capacity of the three kinds of molecularly imprinted polymers is P1 〉 P2 〉 P3. The results show a positive correlation between the binding quantities and binding energy.
出处
《精细化工》
EI
CAS
CSCD
北大核心
2007年第2期133-135,153,共4页
Fine Chemicals
关键词
分子印迹聚合物
功能单体
计算模拟
吸附能力
molecularly imprinted polymers
functional monomers
computational approach
binding capacity
