Application of computational simulation and spectral analysis in preparation of Tanshinone IIA imprinted polymer
10.7501/j.issn.0253-2670.2015.05.009
- Author:
Yan-Kun GAO
1
Author Information
1. School of Pharmacy, Nanjing Medical University
- Publication Type:Journal Article
- Keywords:
Computational simulation;
Methyl acrylic acid;
Molecularly imprinted polymers;
Quantum chemistry;
Spectral analysis;
Tanshinone IIA;
Ultraviolet absorption spectrometry
- From:
Chinese Traditional and Herbal Drugs
2015;46(5):665-670
- CountryChina
- Language:Chinese
-
Abstract:
To prepare Tanshinone IIA (TSIIA) molecularly imprinted polymers (MIPs) with affinity and high selectivity to TSIIA and study its mechanism. Taking TSIIA as the template molecular, synthesizing the MIPs at the surface of silica nanoparticles by grafting copolymerization in the toluene solution. A molecular modeling approach was used to elucidate template-monomer interaction. The interaction between template molecule and functional monomer was studied by UV spectrometry. The theoretical molar ratio of template-monomer was 1∶3 and methyl acrylic acid (MAA) was a better functional monomer than acrylamide (AAM) for MIPs synthesis. The MIPs can be used for the extraction and separation of TSIIA.
