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Electroactive polymers for the detection of morphine

The interaction between morphine (MO), a very potent analgesic psychoactive drug, and five electroactive polymers, poly(3,4-ethylenedioxythiophene) (PEDOT), poly(3-methylthiophene) (P3MT), polypyrrole (PPy), poly(N-methylpyrrole (PNMPy) and poly[N-(2-cyanoethyl)pyrrole] (PNCPy), has been examined using theoretical calculations on model complexes and voltammetric measures considering different pHs and incubation times. Quantum mechanical calculations in model polymers predict that the strength of the binding between the different polymers and morphine increases as follows: PEDOT < PNMPy < Py < < P3MT a parts per thousand PNCPy. The most relevant characteristic of P3MT is its ability to interact with morphine exclusively through non-directional interactions. On the other hand, the variations of the electroactivity and the anodic current at the reversal potential evidence that the voltammetric response towards the presence of MO is considerably higher for P3MT and PNCPy than that for the other polymers at both acid (P3MT > PNMPy) and neutral (P3MT a parts per thousand PNCPy) pHs. Energy decomposition analyses of the interaction of MO with different model polymers indicate that the stronger affinity of MO for P3MT and PNCPy as compared to PEDOT, PNMPy, and PPy is due to more favorable orbital interactions. These more stabilizing orbital interactions are the result of the larger charge transfer from MO to P3MT and PNCPy model polymers that takes place because of the higher stability of the single occupied molecular orbital (SOMO) of these model polymers. Therefore, to design polymers with a large capacity to detect MO we suggest looking at polymers with high electron affinity

This work has been supported by MICINN and FEDER funds (project numbers MAT2012-34498, CTQ2011-23156/BQU and CTQ2011-25086/BQU), by the DIUE of the Generalitat de Catalunya (contracts numbers 2009SGR925, 2009SGR528, 2009SGR637 and XRQTC) and Catedra Applus (UPC). E. C.-M. and B. T. D. are thanked to the MICINN by their FPI grants. Support for the research of C. A. and M. S. was received through the prize "ICREA Academia" for excellence in research funded by the Generalitat de Catalunya

© Journal of Polymer Research, 2014, vol. 21, núm. 10. p. 565

Springer Verlag

Autor: Cordova-Mateo, Esther
Poater i Teixidor, Jordi
Teixeira-Dias, Bruno
Bertran, Oscar
Estrany, Francesc
Valle, Luis J. del
Solà i Puig, Miquel
Alemán, Carlos
Data: 2014
Resum: The interaction between morphine (MO), a very potent analgesic psychoactive drug, and five electroactive polymers, poly(3,4-ethylenedioxythiophene) (PEDOT), poly(3-methylthiophene) (P3MT), polypyrrole (PPy), poly(N-methylpyrrole (PNMPy) and poly[N-(2-cyanoethyl)pyrrole] (PNCPy), has been examined using theoretical calculations on model complexes and voltammetric measures considering different pHs and incubation times. Quantum mechanical calculations in model polymers predict that the strength of the binding between the different polymers and morphine increases as follows: PEDOT < PNMPy < Py < < P3MT a parts per thousand PNCPy. The most relevant characteristic of P3MT is its ability to interact with morphine exclusively through non-directional interactions. On the other hand, the variations of the electroactivity and the anodic current at the reversal potential evidence that the voltammetric response towards the presence of MO is considerably higher for P3MT and PNCPy than that for the other polymers at both acid (P3MT > PNMPy) and neutral (P3MT a parts per thousand PNCPy) pHs. Energy decomposition analyses of the interaction of MO with different model polymers indicate that the stronger affinity of MO for P3MT and PNCPy as compared to PEDOT, PNMPy, and PPy is due to more favorable orbital interactions. These more stabilizing orbital interactions are the result of the larger charge transfer from MO to P3MT and PNCPy model polymers that takes place because of the higher stability of the single occupied molecular orbital (SOMO) of these model polymers. Therefore, to design polymers with a large capacity to detect MO we suggest looking at polymers with high electron affinity
This work has been supported by MICINN and FEDER funds (project numbers MAT2012-34498, CTQ2011-23156/BQU and CTQ2011-25086/BQU), by the DIUE of the Generalitat de Catalunya (contracts numbers 2009SGR925, 2009SGR528, 2009SGR637 and XRQTC) and Catedra Applus (UPC). E. C.-M. and B. T. D. are thanked to the MICINN by their FPI grants. Support for the research of C. A. and M. S. was received through the prize "ICREA Academia" for excellence in research funded by the Generalitat de Catalunya
Format: application/pdf
ISSN: 1022-9760 (versió paper)
1572-8935 (versió electrònica)
Accés al document: http://hdl.handle.net/10256/11402
Llenguatge: eng
Editor: Springer Verlag
Col·lecció: MICINN/PN 2012-2014/CTQ2011-23156
MICINN/PN 2012-2014/CTQ2011-25086
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
Reproducció digital del document publicat a: http://dx.doi.org/10.1007/s10965-014-0565-6
Articles publicats (D-Q)
És part de: © Journal of Polymer Research, 2014, vol. 21, núm. 10. p. 565
Drets: Tots els drets reservats
Matèria: Polímers conductors
Conducting polymers
Sensors químics
Chemical detectors
Títol: Electroactive polymers for the detection of morphine
Tipus: info:eu-repo/semantics/article
Repositori: DUGiDocs

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