Liu, Jin; Cai, Xuhong; Liu, Junbo; Liang, Dadong; Chen, Kaiyin; Tang, Shanshan; Xu, Bao published the artcile< Study on the Preparation of Estrone Molecularly Imprinted Polymers and Their Application in a Quartz Crystal Microbalance Sensor via a Computer-Assisted Design>, Synthetic Route of 3290-92-4, the main research area is estrone estriol MIPs itaconic acid quartz crystal microbalance sensor; computational design; estrone; molecularly imprinted polymers; quartz crystal microbalance; selectivity.
Computer simulations are widely used for the selection of conditions for the synthesis of molecularly imprinted polymers and can rapidly reduce the exptl. cycle time and save labor and materials. In this paper, estrone molecularly imprinted polymers (E1-MIPs) are designed at the M062X/6-311+G(d,p) level with itaconic acid (IA) as the functional monomer. The imprinted molar ratio between E1 and IA was optimized, cross-linkers and solvents were screened, and the nature of interactions between E1 and IA was explored. The simulated results showed that pentaerythritol triacrylate was the best cross-linker. Meanwhile, when the imprinted molar ratio between E1 and IA was 1:4, the E1-IA complex had the largest amount of hydrogen bonds, the lowest binding energy, and the strongest stability. Using the simulation results as guidance, the E1-MIPs were prepared to modify the electrons of a quartz crystal microbalance (QCM) sensor. The exptl. studies showed that the E1-MIPs-QCM sensor had the highest adsorption capacity to E1 in comparison with their analogs, and the lowest detection value of the sensor was 16.00 μg/L. The computer simulations and exptl. studies could provide guidance for synthesize novel E1-MIPs materials. It also could provide important references and directions for the application of E1-MIPs.
International Journal of Molecular Sciences published new progress about Adsorption. 3290-92-4 belongs to class esters-buliding-blocks, and the molecular formula is C18H26O6, Synthetic Route of 3290-92-4.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics