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Browsing Química by Subject "54 - Chemistry. Crystallography. Mineralogy"

Now showing items 1-20 of 367

1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies

Rosselló, Y.; Benito, M.; Barceló-Oliver, M.; Frontera, A.; Molins, E.
3-Picoline Mediated Self-assembly of M(II)¿Malonate Complexes (M = Ni/Co/Mn/Mg/Zn/Cu) Assisted by Various Weak Forces Involving Lone pair-pi, pi-pi and Anion···pi-hole Interactions

Mitra, Monojit; Manna, Prankrishna; Bauzá Riera, Antonio; Ballester Balaguer, Pablo José; Seth, Saikat Kumar; Choudhury, Somnath Ray; Frontera Beccaria, Antonio; Mukhopadhyay, Subrata
3D printed device coated with solid-phase extraction resin for the on-site extraction of seven sulfonamides from environmental water samples preceding HPLC-DAD analysis

Barzallo, D.; Palacio, E.; March, J.; Ferrer, L.
3D printed extraction devices in the analytical laboratorya case study of Soxhlet extraction

Cocovi-Solberg, D.J.; Miró, M.
3D printed fluidic platform with in-situ covalently immobilized polymer monolithic column for automatic solid-phase extraction

Correa-Carrasco, Enrique J.; Cocovi-Solberg, David J.; Herrero-Martínez, José M.; Simó-Alfonso, Ernesto F.; Miró, Manuel
3D printed permeation module to monitor interaction of cell membrane transporters with exogenic compounds in real-time

Sklenáová, H.; Rosecká, M.; Horstkotte, B.; Pávek, P.; Miró, M.; Solich, P.
3D printed spinning cup‑shaped device for immunoaffinity solid‑phase extraction of diclofenac in wastewaters

Carrasco-Correa, Enrique J.; Herrero-Martínez, José M.; Simó-Alfonso, Ernesto F.; Knopp, Dietmar; Miró, Manuel
3D printing in separation science: Hype or reality

Miró, M.; Carrasco-Correa, E.J.; Cocovi-Solberg, D.J.
3D-printed chemiluminescence flow cells with customized cross-section geometry for enhanced analytical performance

García-Moll, Llucia; Sixto, Alexandra; Carrasco-Correa, Enrique J.; Miró, Manuel
A Coarse-grained molecular dynamics approach to the study of the intrinsically disordered protein α-synuclein

Ramis, Rafael; Ortega-Castro, Joaquín; Casasnovas, Rodrigo; Mariño, Laura; Vilanova, Bartolomé; Adrover, Miquel; Frau, Juan
A combined experimental and computational study of supramolecular assemblies in ternary copper(II) complexes with a tetradentate N4 donor Schiff base and halides

Bhattacharyya, Anik; Bhaumik, Prasanta Kumar; Jana, Parta Pratim; Bauzá Riera, Antonio; Drew, Micahel G. B.; Frontera Beccaria, Antonio; Chattopadhyay, Shouvik
A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand

Adhikary, Jaydeep; Chakraborty, Prateeti; Das, Sudhanshu; Chattopadhyay, Tanmay; Bauzá Riera, Antonio; Chattopadhyay, Shyamal Kumar; Ghosh, Bipinbihari; Mautner, Franz A.; Frontera Beccaria, Antonio; Das, Debasis
A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer

Manna, Prankrishna; Choudhury, Somnath Ray; Mitra, Monojit; Seth, Saikat Kumar; Helliwell, Madeleine; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Mukhopadhyay, Subrata
A Combined Theoretical and Cambridge Structural Database Study of pi-hole Pnicogen Bonding Complexes Between Electron Rich Molecules and Both Nitro Compounds and Inorganic Bromides (YO2Br, Y = N, P and As)

Bauzá Riera, Antonio; Ramis Cortés, Rafael; Frontera Beccaria, Antonio
A comparative DFT Study of the Schiff base formation from Acetaldehyde and Butylamine, Glycine and Phosphatidylethanolamine

Solís-Calero, Christian; Ortega-Castro, Joaquín; Hernández-Laguna, Alfonso; Muñoz Izquierdo, Francisco
A comparative study of the chemical reactivity of pyridoxamine, Ac-Phe-Lys and Ac-Cys with various glycationg carbonyl compounds.

Adrover Estelrich, Miguel; Vilanova Canet, Bartolomé; Muñoz Izquierdo, Francisco; Donoso Pardo, Josefa Laurentina; Frau Munar, Juan
A density functional theory study of the free-radical scavenging activity of aminoguanidine. Comparison with its reactive carbonyl compound and metal scavenging activities

Ramis, R.; Casasnovas, R.; Marino, L.; Frau, J.; Adrover, M.; Vilanova, B.; Mora-Diez, N.; Ortega-Castro, J.
A Dodecanuclear Copper(II) Cage Self-Assembled from Six Dicopper Building Units

Ghosh, Aoke Kumar; Pait, Moumita; Clérac, Rodolphe; Mathoniere, Corine; Bertolasi, Valerio; Frontera Beccaria, Antonio; Bauzá Riera, Antonio; Pramanik, Kausikisankar; Ray, Debashis
A new analytical method to determine trace level concentrations of pharmaceuticals in influent wastewater: A tool to monitor human use patterns

Fontanals, N.; Pocurull, E.; Montes, R.; Gonzalez-Mariño, I.; Santana-Viera, S.; Miró, M.; Rico, A.; Rodríguez-Mozaz, S.; Borrull, F.; Quintana, J.B.; Marcé, R.M.

Now showing items 1-20 of 367

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