Computational predictions and experimental affinity distributions for a homovanillic acid molecularly imprinted polymer.

@article{Dieiro2006ComputationalPA,
  title={Computational predictions and experimental affinity distributions for a homovanillic acid molecularly imprinted polymer.},
  author={Yolanda Di{\~n}eiro and Mar{\'i}a Isabel Men{\'e}ndez and M Carmen Blanco-L{\'o}pez and Mar{\'i}a-Jes{\'u}s Lobo-Casta{\~n}{\'o}n and Arturo J. Miranda-Ordieres and Paulino Tu{\~n}{\'o}n-Blanco},
  journal={Biosensors & bioelectronics},
  year={2006},
  volume={22 3},
  pages={364-71}
}
Density Functional Theory calculations have been used to select, among a set of chemicals traditionally used in the formulation of non-covalent molecularly imprinted polymers (MIPs), the best functional monomer and porogenic solvent for the construction of a recognition element for the dopamine metabolite homovanillic acid (HVA). Theoretical predictions were confirmed through batch binding assays and voltammetric detection. The computational method predicts that trifluoromethacrylic acid and… CONTINUE READING

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