Search Results - "Santaballa, J.A"

Kinetics and mechanism of aqueous degradation of carbamazepine by heterogeneous photocatalysis using nanocrystalline TiO2, ZnO and multi-walled carbon nanotubes–anatase composites by Martínez, C., Canle L., M., Fernández, M.I., Santaballa, J.A., Faria, J.

“… [Display omitted] ▶ A detailed mechanism is proposed for the photocatalytic degradation of carbamazepine. ▶ The efficacy of composites MWCNT-TiO2 is…”
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Photocatalytic activity of mont-La (6%)-Cu0.6Cd0.4S catalyst for phenol degradation under near UV visible light irradiation by Boukhatem, H., Khalaf, H., Djouadi, L., Gonzalez, F.V., Navarro, R.M., Santaballa, J.A., Canle, M.

“…[Display omitted] •A mont-La (6%)-Cu0.6Cd0.4S nanocomposite was prepared and characterized.•We studied the application of mont-La (6%)-Cu0.6Cd0.4S for phenol…”
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Aqueous degradation of diclofenac by heterogeneous photocatalysis using nanostructured materials by Martínez, C., Canle L., M., Fernández, M.I., Santaballa, J.A., Faria, J.

“…[Display omitted] ► A detailed mechanism is proposed for the photocatalytic degradation of diclofenac. ► The efficacy of nanostructured materials, including…”
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Mechanism of degradation of ketoprofen by heterogeneous photocatalysis in aqueous solution by Martínez, C., Vilariño, S., Fernández, M.I., Faria, J., L., M. Canle, Santaballa, J.A.

“…•A mechanism is proposed for photolysis and heterogeneous photocatalysis of ketoprofen with TiO2.•The efficacy of composites MWCNT–TiO2 is discussed and…”
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Reaction pathways and mechanisms of photodegradation of pesticides by Burrows, H.D., Canle L, M., Santaballa, J.A., Steenken, S.

“…The photodegradation of pesticides is reviewed, with particular reference to the studies that describe the mechanisms of the processes involved, the nature of…”
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Mechanical Stability Is Key for Large-Scale Implementation of Photocatalytic Surface-Attached Film Technologies in Water Treatment by Ramos, D.R., Iazykov, M., Fernandez, M.I., Santaballa, J.A., Canle, M.

“…Replacement of classical tertiary water treatment by chemical-free sunlight-driven photocatalytic units has been often proposed. Photocatalysts are required to…”
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A theoretical analysis of the acid–base equilibria of hydroxylamine in aqueous solution by Fernández, M.I., Canle, M., García, M.V., Santaballa, J.A.

“…Both microscopic and macroscopic p K a s involving hydroxylamine in aqueous solution have been computed using the compound method CBS-QB3 jointly with the CPCM…”
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First Steps in the Oxidation of Sulfur-Containing Amino Acids by Hypohalogenation: Very Fast Generation of Intermediate Sulfenyl Halides and Halosulfonium Cations by Armesto, X.L., Canle L, M., Fernández, M.I., Garcı́a, M.V., Santaballa, J.A.

“…Sulfur-containing amino acids show an extraordinary binding towards HOCl/ClO −. During the process, the Cl is transferred from the O to the S of the amino…”
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A DFT study on the microscopic ionization of cysteine in water by Canle L., Moisés, Ramos, Daniel R., Santaballa, J.A.

“…The molecular equilibria involved in the second and third macroscopic deprotonation processes of Cys have been theoretically characterized at B3LYP/6-31++G**…”
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Oxidation of aliphatic amines by aqueous chlorine by Abia, L., Armesto, X.L., Canle, M.L., García, M.V., Santaballa, J.A.

“…The oxidation of aliphatic amines by aqueous chlorine has been studied. The kinetic behaviour is similar for primary, secondary and tertiary aliphatic amines,…”
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Preparation, characterization and testing of a bulky non-supported photocatalyst for water pollution abatement by Aguilar, S.D., Ramos, D.R., Santaballa, J.A., Canle, M.

“…An innovative bulky photocatalyst for water decontamination has been developed. The semiconductor (TiO2) is homogeneously distributed in an aggregating…”
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An efficient green photo-Fenton system for the degradation of organic pollutants. Kinetics of propranolol removal from different water matrices by Remache, W., Ramos, D.R., Mammeri, L., Boucheloukh, H., Marín, Z., Belaidi, S., Sehili, T., Santaballa, J.A., Canle, M.

“…We report on the degradation of aqueous propranolol (PRO) in a heterogeneous system with natural iron oxide (N.I.O.) and oxalic acid (OAA) under near UV–Vis…”
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Simulated sunlight photodegradation of 2-mercaptobenzothiazole by heterogeneous photo-Fenton using a natural clay powder by Redouane-Salah, Z., Malouki, M.A., Khennaoui, B., Santaballa, J.A., Canle, M.

“…•Natural clay powders, when irradiated by UVA-Vis, can be used as photocatalysts for abatement of POPs.•The photodegradation of MBT follows pseudo-first order…”
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On the mechanism of TiO2-photocatalyzed degradation of aniline derivatives by Canle L., M., Santaballa, J.A., Vulliet, E.

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Photolytic insertion of albumin on activated carbon modified with ozone by Peralta Muniz Moreira, Regina de Fátima, Humeres, Eduardo, Berger, Carolina, Isabel Fernández, M., Santaballa, J.A., Canle, Moisés

“…254nm photolyses of bovine serum albumin [BSA] in aqueous solutions, were carried out in the presence of activated carbons modified by reaction with ozone. The…”
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On the mechanism of TiO 2-photocatalyzed degradation of aniline derivatives by Canle L., M., Santaballa, J.A., Vulliet, E.

“…Interaction between aromatic amines and TiO 2 takes place preferentially through the amino group when pH > p K a(BH +) and, as a minor but mechanistically…”
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Extended planarity and π delocalization in triazine-based derivatives by Fernández, M.I., Oliva, J.M., Armesto, X.L., Canle L., M., Santaballa, J.A.

“…Changes in geometry of amino groups as substituents in positions 2, 4 and 6 of 1,3,5-triazines are calculated by using DFT at the B3LYP/6-311++G(d,p) level…”
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Density functional study of the Hoffmann elimination of ( N-Cl), N-methylethanolamine in gas phase and in aqueous solution by Ramos, D.R., Castillo, R., Canle L., M., García, M.V., Andrés, J., Santaballa, J.A.

“…Hoffmann elimination involving ( N-Cl), N-methylethanolamine and HO − has been theoretically characterized by using DFT at the B3LYP/6-31++G ∗∗ level. The role…”
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First stages of photodegradation of the urea herbicides Fenuron, Monuron and Diuron by Canle L, M, Rodrı́guez, S, Rodrı́guez Vázquez, L.F, Santaballa, J.A, Steenken, S

“…The initial stages of photodegradation of three urea-based herbicides [ArNHCON(CH3)2≡(1)]: Fenuron, Monuron and Diuron have been studied using laser-flash…”
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A B3LYP/6-31G study on the chlorination of ammonia by hypochlorous acid by Andrés, J., Canle L., M., Garcı́a, M.V., Rodrı́guez Vázquez, L.F., Santaballa, J.A.

“…B3LYP/6-31G ** calculations were performed on the chlorination of NH 3 by HOCl, considering explicit participation of zero, one, two, three and four water…”
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