Virtual imprinting as a tool to design efficient MIPs for photosynthesis-inhibiting herbicides

Breton, Florent; Rouillon, Régis; Piletska, Elena; Karim, Kal; Guerreiro, António; Chianella, Iva; Piletsky, Sergey A.

doi:10.1016/j.bios.2006.08.017

Cited by 66 publications

(39 citation statements)

References 31 publications

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“…The examples in table 2 range from (i) good imprinting factors [33,35]; (ii) high recovery of template from using solid phase extraction (SPE) [42,43,50,51]; (iii) controlled release [46,47]; (iv) dissociation constant in nM [35]; and (v) industrial applications [44,48]. This procedure therefore can be observed to produce excellent results with minimal time requirements, making this whole process highly effi cient in comparison with alternative approaches.…”

Section: Application Of the Methodsmentioning

confidence: 99%

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A Protocol for the Computational Design of High Affi nity Molecularly Imprinted Polymer Synthetic Receptors

Karim¹,

Cowen²,

Guerreiro³

et al. 2017

Glob J Biotechnol Biomater Sci

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Molecularly imprinted polymer (MIP) nanoparticles, commonly referred to as 'plastic antibodies' or synthetic receptors, are polymeric materials with strong affi nity and selectivity for a particular chemical target. MIPs are regularly produced for use in sensors for monitoring food quality and environmental pollutants, and in the design of robust and affordable replacements for biological receptors, enzymes and antibodies in drug testing and assays. More recently the easy production of MIP nanoparticles has also permitted research relating to possible in vivo applications, primarily in drug delivery systems, toxin sequestration and pathogen inhibition. The strength of the interaction between the target and the polymer binding site is dependent on the particular monomers selected in synthesis of the MIP, and the relative concentrations of these in the pre-polymerization mixture. While computational approaches have been used to aid in MIP design previously, the methods adopted are often slow and simplistic, centring on observations of the template structure with a couple of functional monomers presumed to be appropriate. We present here an automated method of rapidly screening numerous functional monomers and effectively determining appropriate monomer ratios, while accounting for spatial discrimination in selection and dynamic parameters in optimization. Example are then given of effect MIP synthesis resulting from the protocol, and the benefi ts of this approach over competing methods are discussed.

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Section: Application Of the Methodsmentioning

confidence: 99%

“…Triazines [46,47] Correlation between monomer-template binding energy with experimental binding using NIP SPE. The high affi nity polymer released ~2% and low affi nity polymer released ~27% of the template over 25 days.…”

Section: Template Polymer Highlightsmentioning

confidence: 99%

A Protocol for the Computational Design of High Affi nity Molecularly Imprinted Polymer Synthetic Receptors

Karim¹,

Cowen²,

Guerreiro³

et al. 2017

Glob J Biotechnol Biomater Sci

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“…The right selection of functional monomers is important in molecular imprinting because the interactions with functional groups affect the affinity of MIPs (Lasákova & Jandera, 2009). Molecular modelling can be used to predict which functional monomers are capable to form effective polymers as some monomers have a natural affinity to some herbicides (Breton et al, 2007). Two principally different approaches to molecular imprinting may be distinguished.…”

Section: Molecularly Imprinted Polymersmentioning

confidence: 99%

“…Figure 2 shows this entire process schematically and more details on the preparation of imprints can be found elsewhere (Diaz-Garcia & Lamo, 2005;Qiao et al, 2006;Dias et al, 2009). It should be stressed that some monomers have natural affinity to some herbicides (Breton et al, 2007). The retention on blanks seems to be a good reflection of the relative affinity of monomers to the herbicides, and this interaction must be naturally strong enough to allow the binding enhancement by a MIP.…”

Section: Molecularly Imprinted Polymersmentioning

confidence: 99%

Solid-Phase Extraction for Enrichment and Separation of Herbicides

Pyrzyńska¹

2011

Herbicides, Theory and Applications

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“…In the beginning of this section it is noteworthy that, since, in preparation of many non-covalent MIPs a template: functional monomer: cross-linker molar ratio of about 1: 4: 20 has resulted in very suitable performance characteristics; this ratio was used for synthesis of metoprolol molecularly imprinted polymer in the present work [17,19,26,[35][36][37][38][39][40][41][42]. The most commonly used functional monomer is methacrylic acid (MAA).…”

Section: Preparation and Characterization Of Mipmentioning

confidence: 99%

Molecularly imprinted polymer Based PVC-Membrane-Coated graphite electrode for the determination of metoprolol

Tehrani

Vardini

Azar

et al. 2010

JICS

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A PVC membrane based on metoprolol molecularly imprinted polymer (MIP) coated directly on graphite electrode for determination of metoprolol in real sample is described. This potentiometric sensor was designed by dispersing the MIP particles in dioctylphthalate plasticizer as solvent mediator and then embedded in polyvinyl chloride matrix. The electrode exhibits a near Nernstian of 55.4±1 mV decade -1 for metoprolol over a wide concentration range between 2.0×10 -7 -8.0×10 -3 M and a detection limit of 1.26×10 -7 M. It has a response time of about 14 seconds and can be used for at least 6 months without any divergence in potential. The proposed electrode can be used in the pH range of 3.5-10.5 and revealed good selectivities for metoprolol over a wide variety of ions. Finally, the designed sensor was successfully applied as an indicator electrode to determine concentration of metoprolol in tablets, human urine and plasma and the results were compared favorably with those obtained by HPLC method and showed satisfactory agreements with them.

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Virtual imprinting as a tool to design efficient MIPs for photosynthesis-inhibiting herbicides

Cited by 66 publications

References 31 publications

A Protocol for the Computational Design of High Affi nity Molecularly Imprinted Polymer Synthetic Receptors

A Protocol for the Computational Design of High Affi nity Molecularly Imprinted Polymer Synthetic Receptors

Solid-Phase Extraction for Enrichment and Separation of Herbicides

Molecularly imprinted polymer Based PVC-Membrane-Coated graphite electrode for the determination of metoprolol

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