RT Journal Article T1 Experimental and Computational Studies on the Interaction of a Dansyl-Based Fluorescent Schiff Base Ligand with Cu2+ Ions and CuO NPs A1 Sanmartín Matalobos, Jesús A1 Bermejo Barrera, Pilar A1 Pérez-Juste, Ignacio A1 García Deibe, Ana María A1 Alves-Iglesias, Yeneva K1 CuO nanoparticles K1 Nanomaterials K1 Detection K1 Luminescence K1 Schiff base K1 Fluorescent chemosensor K1 Fluorescence quenching AB We studied the interaction of Cu2+ ions and CuO nanoparticles with the fluorescent Schiff base ligand H3L, which derives from the condensation of 4-formyl-3-hydroxybenzoic acid with N-(2-aminobenzyl)-5-(dimethylamino)naphthalene-1-sulfonamide (DsA). A detailed assignment of the most significant bands of the electronic and infrared spectra of H3L and DsA was performed using DFT methods, based on both crystal structures. The affinity of H3L to react with Cu2+ ions in solution (KB = 9.01 103 L mol-1) is similar to that found for the Cu2+ ions present on the surface of CuO NPs (KB = 9.84 103 L mol-1). Fluorescence spectroscopic measurements suggest five binding sites for H3L on the surface of the CuO NPs used. The µ-XRF analysis indicates that a polycrystalline sample of CuO-H3L NPs contains 15:1 Cu:S molar ratio (CuO:H3L). ATR-FTIR spectroscopy, supported by DFT calculations, showed that the HL2- (as a phenolate and sulfonamide anion) is coordinated to superficial Cu2+ ions of the CuO NPs through their azomethine, sulphonamide, and phenolic groups. A solution of H3L (126 ppb) shows sensitive responses to CuO NPs, with a limit of detection (LOD) of 330 ppb. The working range for detection of CuO NPs with [H3L] = 126 ppb was 1.1-9.5 ppm. Common metal ions in water, such as Na+, K+, Mg2+, Ca2+, Fe3+, and Al3+ species, do not interfere significantly with the detection of CuO NPs. PB MDPI SN 1661-6596 YR 2022 FD 2022 LK http://hdl.handle.net/10347/32289 UL http://hdl.handle.net/10347/32289 LA eng NO Sanmartín Matalobos, J., Bermejo-Barrera, P., Pérez-Juste, I., Fondo, M., Garcia-Deibe, A. M., Alves-Iglesias, Y. (2022). Experimental and Computational Studies on the Interaction of a Dansyl-Based Fluorescent Schiff Base Ligand with Cu2+ Ions and CuO NPs. "International Journal of molecular sciences", vol. 23, 11565 NO This research was funded by the Ministerio de Ciencia, Innovación y Universidades (RTI2018-099222-B-I00) and Interreg Atlantic Area, Poctep (ACUINANO Project). Authors would like to thank the use of RIAIDT-USC analytical facilities, and the support provided for this work. DS Minerva RD 27 abr 2026