在Haake转矩流变仪中,将盐酸胍与己二胺的低聚物(PHMG)与末端带环氧基的遥爪型聚苯乙烯(PS)进行熔融反应,得到具有抗菌性能的聚苯乙烯(PS-PHMG)。红外(FT-IR)光谱证明胍盐低聚物是以化学键的形式键合到PS分子链上的。分别用扩散法和振...在Haake转矩流变仪中,将盐酸胍与己二胺的低聚物(PHMG)与末端带环氧基的遥爪型聚苯乙烯(PS)进行熔融反应,得到具有抗菌性能的聚苯乙烯(PS-PHMG)。红外(FT-IR)光谱证明胍盐低聚物是以化学键的形式键合到PS分子链上的。分别用扩散法和振荡瓶法测试了抗菌聚苯乙烯对大肠杆菌和金黄色葡萄球菌的抗菌性能。扩散法实验表明,经提纯后的PS-PHMG不存在胍盐低聚物的溶出,但对大肠杆菌和金黄色葡萄球菌均有明显的抑菌圈。振荡瓶法结果表明:当PS中w(PS-PHMG)=0.2%(即w(PHMG)=0.069%)时,与大肠杆菌接触30 mi m后,抑菌率达100%;当w(PS-PHMG)=0.1%(即w(PHMG)=0.035%)时,30 min内对金黄色葡萄球菌的抑菌率也能够达到100%,具有较好的抗菌速效性,杀灭细菌的时间小于30 min。展开更多
The n-octanol/water partition coefficients （lgKow） of 18 substituted anilines were determined at 25 ℃ by shake-flask method. The geometrical optimization of substituted anilines has been performed at B3LYP/6-311G^...The n-octanol/water partition coefficients （lgKow） of 18 substituted anilines were determined at 25 ℃ by shake-flask method. The geometrical optimization of substituted anilines has been performed at B3LYP/6-311G^＊＊ level with Gaussian98 program, and the molecular surface areas of substituted anilines were calculated using ChemOffice 2004 program. The calculated structural parameters of substituted anilines were used as theoretical descriptors and the two-parameter （molecular surface area （MA） and the energy of the highest occupied molecular orbital （EaoMo）） quantitative structure-property relationship （QSPR） model of lgKow for substituted aniline with molecular structural parameters was developed by multi-linear regression method. The regression coefficient square （r^2） is 0.990 and the standard deviation SE 0.109. The model was validated by variance inflation factors （VIF） and t-test, and the results show that there exists small self-correlation between variables of the model with perfect stability. The model gives results in good qualitative agreement with experimental data. At last, the model was applied to predict lgKow values of five substituted anilines whose lgKow values have not been determined experimentally.展开更多
文摘在Haake转矩流变仪中,将盐酸胍与己二胺的低聚物(PHMG)与末端带环氧基的遥爪型聚苯乙烯(PS)进行熔融反应,得到具有抗菌性能的聚苯乙烯(PS-PHMG)。红外(FT-IR)光谱证明胍盐低聚物是以化学键的形式键合到PS分子链上的。分别用扩散法和振荡瓶法测试了抗菌聚苯乙烯对大肠杆菌和金黄色葡萄球菌的抗菌性能。扩散法实验表明,经提纯后的PS-PHMG不存在胍盐低聚物的溶出,但对大肠杆菌和金黄色葡萄球菌均有明显的抑菌圈。振荡瓶法结果表明:当PS中w(PS-PHMG)=0.2%(即w(PHMG)=0.069%)时,与大肠杆菌接触30 mi m后,抑菌率达100%;当w(PS-PHMG)=0.1%(即w(PHMG)=0.035%)时,30 min内对金黄色葡萄球菌的抑菌率也能够达到100%,具有较好的抗菌速效性,杀灭细菌的时间小于30 min。
基金This work was supported by the National Natural Science Foundation of China (No. 20737001)
文摘The n-octanol/water partition coefficients （lgKow） of 18 substituted anilines were determined at 25 ℃ by shake-flask method. The geometrical optimization of substituted anilines has been performed at B3LYP/6-311G^＊＊ level with Gaussian98 program, and the molecular surface areas of substituted anilines were calculated using ChemOffice 2004 program. The calculated structural parameters of substituted anilines were used as theoretical descriptors and the two-parameter （molecular surface area （MA） and the energy of the highest occupied molecular orbital （EaoMo）） quantitative structure-property relationship （QSPR） model of lgKow for substituted aniline with molecular structural parameters was developed by multi-linear regression method. The regression coefficient square （r^2） is 0.990 and the standard deviation SE 0.109. The model was validated by variance inflation factors （VIF） and t-test, and the results show that there exists small self-correlation between variables of the model with perfect stability. The model gives results in good qualitative agreement with experimental data. At last, the model was applied to predict lgKow values of five substituted anilines whose lgKow values have not been determined experimentally.
