Quantitative structure-imprinting factor relationship of molecularly imprinted polymers

Nantasenamat, Chanin; Isarankura‐Na‐Ayudhya, Chartchalerm; Naenna, Thanakorn; Prachayasittikul, Virapong

doi:10.1016/j.bios.2007.01.017

Cited by 88 publications

(44 citation statements)

References 56 publications

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“…Quantitative Structure-Activity relationship (QSAR) is the mathematical modeling of chemical structures of compounds and their relationship with biological activity, and is actively used in drug design [4,5].…”

Section: Accepted Manuscriptmentioning

confidence: 99%

QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors

Nizami

Tetko

Koorbanally

et al. 2015

Chemometrics and Intelligent Laboratory Systems

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Section: Accepted Manuscriptmentioning

confidence: 99%

QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors

Nizami

Tetko

Koorbanally

et al. 2015

Chemometrics and Intelligent Laboratory Systems

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“…However, the noncovalent imprinting technique is still useful only in limited cases due to a lack of generic procedures for obtaining stable complexes in pre-polymerization mixtures. Therefore, efforts have been found on stabilizing the complex and increasing imprinting efficiency, including selection of suitable functional monomers with computer-aided rational approaches [9] and optimization of the polymerization temperature [10] and solvent in stabilizing the complex [11]. In addition, high pressure has also been examined as a means of stabilizing the complexes and resulted in higher specificity [12].…”

Section: Introductionmentioning

confidence: 99%

CEC separation of ofloxacin enantiomers using imprinted microparticles prepared in molecular crowding conditions

Shi

Duan

et al. 2011

Electrophoresis

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Molecular crowding is a new concept to obtain molecularly imprinted polymers (MIPs) with greater capacity and selectivity, which could shift the equilibrium of a print molecule reacting with functional monomers in the direction of complex formation side. In this work, molecular crowding agent was first applied to the preparation of MIPs microparticles by precipitation polymerization. A new system of molecular crowding surrounding was developed, composed of polystyrene and tetrahydrofuran, in the presence of the template (S)-ofloxacin. Partial filling capillary electrochromatography (CEC) was utilized to evaluate imprinting effect of the resulting microparticles by chiral separations of ofloxacin. Some important parameters in the preparation, i.e. template to monomer ratio, influence of cross-linking monomers and functional monomer composition on the CEC separation of MIP microparticles were investigated. Baseline separation of ofloxacin (R(s) =1.53) was obtained under optimized conditions and the highest theory plate of the later eluent (S)-ofloxacin was 5400. The textural and morphological parameters for imprinted particles, such as Brunauer-Emmett-Teller surface areas, pore volumes and pore size distributions have also been determined. Compared to the MIP microparticle prepared by conventional precipitation polymerization, the (S)-ofloxacin-imprinted particles formed under molecular crowding conditions showed higher selectivity (α=1.09) and separation efficiency (<25 min) in the CEC mode.

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“…Nantasenamat et al used literature data as the basis for a similar approach [146,151]. They applied ANN to correlate imprinting factors from diverse published HPLC studies with molecular descriptors and mobile phase compositions [152].…”

Section: Theoretical and Computational Strategies …mentioning

confidence: 99%

Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance

Nicholls

Chavan

Golker

et al. 2015

Molecularly Imprinted Polymers in Biotechnology

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The development of in silico strategies for the study of the molecular imprinting process and the properties of molecularly imprinted materials has been driven by a growing awareness of the inherent complexity of these systems and even by an increased awareness of the potential of these materials for use in a range of application areas. Here we highlight the development of theoretical and computational strategies that are contributing to an improved understanding of the mechanisms underlying molecularly imprinted material synthesis and performance, and even their rational design.

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Quantitative structure-imprinting factor relationship of molecularly imprinted polymers

Cited by 88 publications

References 56 publications

QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors

QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors

CEC separation of ofloxacin enantiomers using imprinted microparticles prepared in molecular crowding conditions

Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance

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