Rational Design of a Polymer Specific for Microcystin-LR Using a Computational Approach

Chianella, Iva; Lotierzo, Manuela; Piletsky, Sergey A.; Tothill, Ibtisam E.; Chen, Beining; Karim, Khalku; Turner, Anthony P. F.

doi:10.1021/ac010840b

Cited by 277 publications

(183 citation statements)

References 26 publications

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“…However, such systems are notoriously expensive and often suitable only for single use due to the fragility and labile nature of the protein recognition element involved. Hence there is a strong demand for inexpensive, robust, and reusable alternatives to these biological moieties (30) that afford levels of selectivity and specificity similar to those of their biological counterparts, as has been shown with small molecule imprinting (12,31,32).…”

Section: Protein Imprintingmentioning

confidence: 99%

From 3D to 2D: A Review of the Molecular Imprinting of Proteins

Turner¹,

Jeans²,

Brain³

et al. 2006

Biotechnol. Prog.

184

217

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Molecular imprinting is a generic technology that allows for the introduction of sites of specific molecular affinity into otherwise homogeneous polymeric matrices. Commonly this technique has been shown to be effective when targeting small molecules of molecular weight <1500, while extending the technique to larger molecules such as proteins has proven difficult. A number of key inherent problems in protein imprinting have been identified, including permanent entrapment, poor mass transfer, denaturation, and heterogeneity in binding pocket affinity, which have been addressed using a variety of approaches. This review focuses on protein imprinting in its various forms, ranging from conventional bulk techniques to novel thin film and monolayer surface imprinting approaches.

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Section: Protein Imprintingmentioning

confidence: 99%

From 3D to 2D: A Review of the Molecular Imprinting of Proteins

Turner¹,

Jeans²,

Brain³

et al. 2006

Biotechnol. Prog.

184

217

View full text Add to dashboard Cite

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“…The molecular modelling protocol employed to determine and rank candidate monomer molecules for effective binding with the template has been extensively documented elsewhere (14,15 A c c e p t e d M a n u s c r i p t …”

Section: Molecular Modelling 231 Virtual Screening Of Moleculesmentioning

confidence: 99%

Computational design of molecularly imprinted polymer for direct detection of melamine in milk

Bates

Busato

Piletska

et al. 2017

Separation Science and Technology

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A novel protocol for use of molecularly imprinted polymer (MIP) in analysis of melamine is presented. Design of polymer for melamine has been achieved using a combination of computational techniques and laboratory trials, the former greatly reducing the duration of the latter. The compatibility and concerted effect of monomers and solvents were also investigated and discussed. Two novel open source tools were presented which are: the online polymer calculator from mipdatabase.com and the application of the Gromacs modelling suite to determine the ideal stoichiometric ratio between template and functional monomer. A c c e p t e d M a n u s c r i p t 2

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“…Usually the polymers possess a high level of cross-linking to ensure fidelity of the binding sites for the target template. These polymers demonstrate very good thermal and mechanical stability and can be used in aggressive media [7]. The disadvantage of this approach for some industrial applications lies, surprisingly, in the unique selectivity of imprinted materials, which in most cases bind predominantly template molecules used in their preparation.…”

Section: Introductionmentioning

confidence: 99%

Selective Recognition of Bifunctional Molecules by Synthetic Polymers Prepared by Covalent Molecular Imprinting

Dubey¹,

Chianella²,

Dubey³

et al. 2012

TOACJ

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Affinity polymeric adsorbents useful for the separation of compounds which are derivatives of phenols, heterocycles and other compounds containing two polar moieties were prepared by a covalent imprinting approach. Such separation, for example, would facilitate the analytical detection and quantification of each individual compound especially when present in complex sample matrix. The synthetic method, utilised for the preparation of the polymers, is based on co-polymerization of diacrylate esters of hydroxyphenols (catechol, resorcinol and hydroquinone) with an appropriate cross-linker followed by alkaline hydrolysis of the esters and release of the corresponding phenol. The resulting swellable materials contain cavities with adjustable size and orientation of two carboxylic groups suited for the binding of molecules with appropriate size and complementary orientation of polar groups. In contrast to conventional MIPs the synthesized polymers have selectivity not only for the phenolic templates, but also for a group of compounds with suitable orientations of polar functionalities, such as aromatic nitrogen, amino or hydroxyl groups. Polymers demonstrated different affinity to ortho-, meta-and para-isomers of hydroxyphenols, hydroxypyridines and diazine heterocycles.

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Rational Design of a Polymer Specific for Microcystin-LR Using a Computational Approach

Cited by 277 publications

References 26 publications

From 3D to 2D: A Review of the Molecular Imprinting of Proteins

From 3D to 2D: A Review of the Molecular Imprinting of Proteins

Computational design of molecularly imprinted polymer for direct detection of melamine in milk

Selective Recognition of Bifunctional Molecules by Synthetic Polymers Prepared by Covalent Molecular Imprinting

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