Selective Adsorption and Computational Simulation of MOF/MIPs Based on Boron-affinity Molecular Imprinting Strategy on Salbutamol
To explore the affinity recognition ability of the constructed boronic acid-functionalized metal-organic framework(MOF)-derived surface imprinting material(FSU-BA@MIP)for the substrate,the boron affinity between 3-carboxyphenylboric acid ligand of the metal-organic framework(UiO-66-BA)of FSU-BA@MIP and salbutamol was calculated and explained.The density functional theory(DFT)calculation and selectivity test were used to evaluate the selectivity mechanism of FSU-BA@MIP for salbutamol.The results show that the hydrogen bond between the charged 3-carboxyphenylboric acid and salbutamol makes them have a strong force,and it is easier to form boronic acid cyclic ester.In addition,compared with the competing substances,the lowest binding energy and reaction energy of UiO-66-BA and salbutamol indicate that FSU-BA@MIP has a specific adsorption of salbutamol,and the analytical results are consistent with the highest adsorption data of salbutamol obtained from the experiment.Therefore,UiO-66-BA is an ideal boric acid functional material for the analysis of cis-diol compounds.
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万方数据
维普
