Design, Synthesis and HR – MAS NMR Characterization of Molecular Imprinted Polymers with Emerging Contaminants Templates

Sabín, AlejandraParedes Ramos, MaríaHerrero, RobertoLópez Vilariño, José Manuel2026-10-202026-10-202021-02-15López, A.S., Ramos, M.P., Herrero, R., Vilariño, J.M.L., 2021. Design, synthesis and HR – MAS NMR characterization of molecular imprinted polymers with emerging contaminants templates. Separation and Purification Technology 257, 117860. https://doi.org/10.1016/j.seppur.2020.1178601873-37941383-5866https://hdl.handle.net/2183/49863This is an accepted version of the following published document: López, A.S., Ramos, M.P., Herrero, R., Vilariño, J.M.L., 2021. Design, synthesis and HR – MAS NMR characterization of molecular imprinted polymers with emerging contaminants templates. Separation and Purification Technology 257, 117860. https://doi.org/10.1016/j.seppur.2020.117860[Abstract] Pre-polymerization techniques are used in the field of molecular imprinted polymers because of the difficulty to work with polymerized systems. Traditional techniques of characterization as RMN, FTIR or UV–Vis cannot be applied after polymerization state is reached. In this work, solid-state cross-polarization/magic angle spinning nuclear magnetic resonance spectroscopy, HR – MAS NMR, experiments are used because they allow to characterize the material after polymerization, obtaining spectra from semi-solids with some flexibility in their bonds. Numerous combinations of reagents are possible for the synthesis of the polymers and selecting the best is not an easy task. Thus, calculations and computational simulations are used to evaluate and predict MIP specify and efficiency. Nonsteroidal anti-inflammatory drugs are used like test models because of their interests as common contaminants in river waters. Molecular imprinted and non – imprinted polymers are designed, synthesized and validated with Langmuir isotherm, in addition to characterized by HR – MAS NMR tests.engAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/Diffusion ordered spectroscopyMolecular imprinted polymerMolecular modellingNonsteroidal anti-inflammatory drugsSolid-state cross-polarization/magic angle spinning nuclear magnetic resonance spectroscopyDesign, Synthesis and HR – MAS NMR Characterization of Molecular Imprinted Polymers with Emerging Contaminants Templatesjournal articleopen access10.1016/j.seppur.2020.117860