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- Nicholls, Ian A., et al.
(författare)
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Theoretical and Computational Strategies for Rational Molecularly Imprinted Polymer Design
- 2009
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Ingår i: Biosensors & bioelectronics. - : Elsevier BV. - 0956-5663 .- 1873-4235. ; 25:3, s. 543-552
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Tidskriftsartikel (refereegranskat)abstract
- The further evolution of molecularly imprinted polymer science and technology necessitates the development of robust predictive tools capable of handling the complexity of molecular imprinting systems. A combination of the rapid growth in computer power over the past decade and significant software developments have opened new possibilities for simulating aspects of the complex molecular imprinting process. We present here a survey of the current status of the use of in silico-based approaches to aspects of molecular imprinting. Finally, we highlight areas where ongoing and future efforts should yield information critical to our understanding of the underlying mechanisms sufficient to permit the rational design of molecularly imprinted polymers.
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| 5. |
- Nicholls, Ian A., et al.
(författare)
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Can we rationally design molecularly imprinted polymers?
- 2001
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Ingår i: Analytica Chimica Acta. ; 435:1, s. 9-18
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Tidskriftsartikel (refereegranskat)abstract
- The nearly exponential growth in the molecular imprinting literature has to a large extent been fuelled by an increasing awareness of the potential of molecular imprinting based technologies. Despite the acceptance of the technique by cognate disciplines and the demonstration of its usefulness in a number of enabling technologies, relatively little is known about the molecular level events underlying the imprinting process and subsequent recognition events. What rules govern imprint formation? Can we use such rules to rationally design molecularly imprinted polymers?
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| 6. |
- Nicholls, Ian A., et al.
(författare)
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Molecularly imprinted polymers: unique possibilities for environmental monitoring
- 2002
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Ingår i: Proceedings of Kalmar Eco-Tech'01 : conference on leachate and waste water treatment with high-tech and natural systems : the 3rd International Conference on the Establishment of Cooperation Between Companies/Institutions in the Nordic Countries and the Countries in the Baltic Sea Region : November 26 to 28, 2001 Kalmar, Sweden. - : Högskolan i Kalmar. ; , s. 285-288, s. 285-288
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)
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| 8. |
- Rosengren-Holmberg, Jenny P., et al.
(författare)
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Synthesis and ligand recognition of paracetamol selective polymers: semi-covalent versus non-covalent molecular imprinting.
- 2009
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Ingår i: Organic and biomolecular chemistry. - : Royal Society of Chemistry (RSC). - 1477-0520 .- 1477-0539. ; 7, s. 3148-3155
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Tidskriftsartikel (refereegranskat)abstract
- Three molecular imprinting strategies, each based upon a series of ethylene glycol dimethacrylate (EGDMA) cross-linked co-polymers, have been used to produce materials selective for the commonly used analgesic and antipyretic agent paracetamol (p-acetaminophen or 4-acetamidophenol) (1). The polymers were synthesised using either a semi-covalent imprinting strategy based upon 4-acetamidophenyl-(4-vinylphenyl) carbonate (4) or a non-covalent strategy based on methacrylic acid (MAA) as the functional monomer, or by employing a combination of these strategies. Radioligand binding studies demonstrated low template affinity in polymers offering only a single electrostatic interaction point for recognition via the phenolic residue in the template, whereas binding was substantially increased upon the introduction of a second binding mode, namely interaction at the acetamide moiety. HPLC analyses revealed no imprinting effect in the purely semi-covalent system, and only a minor effect in the purely non-covalent systems. However, a pronounced imprinting effect was demonstrated for polymers prepared by a combination of semi-covalent and non-covalent imprinting. This study illustrates a limitation of both the non-covalent and the semi-covalent strategies when it comes to achieving imprinted selectivity for small and poorly functionalised templates such as paracetamol. Parallels with conclusions from studies with antibodies are discussed.
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| 10. |
- Svenson, Johan, et al.
(författare)
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1H-nuclear magnetic resonance study of the molecular imprinting of (-)-nicotine : template self-association, a molecular basis for cooperative ligand binding
- 2004
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Ingår i: Journal of Chromatography A. - : Elsevier. - 0021-9673 .- 1873-3778. ; 1024:1-2, s. 39-44
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Tidskriftsartikel (refereegranskat)abstract
- In the present study, the interactions of components in a (−)-nicotine molecular imprinting polymerization mixture have been studied by NMR spectroscopy. The dissociation constants for complexation of template by a functional monomer analogue, acetic acid, have been determined. Nicotine was shown to self-associate at concentrations comparable to those used in previous molecular imprinting studies (app Kdiss=0.082 M in CDCl3 at 298 K). The extent of self-association was enhanced by the presence of acetic acid. Previous studies on (−)-nicotine–imprinted methacrylic acid–ethylene dimethacrylate co-polymers suggested the involvement of recognition sites for template–template complexes. Collectively these results provide the first direct evidence for the presence of template–template complexes, and support the previously hypothesized basis for cooperative ligand recognition events in this polymer system.
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