摘要
目的通过计算机模拟选择适合目标分子的功能单体,利用选好的功能单体制成固相萃取柱来检测血中氨基甲酸酯类杀虫剂。方法利用量子化学计算理论选出最优的功能单体,制柱,并检测血样。结果制成回收率达到86.3%的萃取柱。结论利用量子化学计算理论进行的计算机模拟,能够对实验条件进行一定程度的优化,减少实验操作并且节约试剂。
By computer simulation to choose suitable target molecules of the functional monomer, using the selected functional monomer making solid phase extraction column to detect carbamate pesticides in the blood, The optimal function monomer is selected by using the theory of quantum chemistry to make extraction columns,detecting blood samples, and the recovery rate was 86.3 percent .The computer simulation of quantum chemical computing can be used to optimize the experimental conditions, reduce the experimental operation and save the reagent.
出处
《广东化工》
CAS
2017年第16期46-47,共2页
Guangdong Chemical Industry
关键词
分子印记固相萃取
计算机模拟
氨基甲酸酯类杀虫剂
molecularly imprinted solid phase extraction
computer simulation
carbamate pesticides