Dipòsit Digital de Documents de la UAB 13 registres trobats  1 - 10següent  anar al registre: La cerca s'ha fet en 0.01 segons. 
1.
11 p, 4.7 MB Novel Heteroleptic Ruthenium(II) Complexes with 2,2'- Bipyridines Containing a Series of Electron-Donor and Electron-Acceptor Substituents in 4,4'-Positions : Syntheses, Characterization, and Application as Sensitizers for ZnO Nanowire-Based Solar Cells / Salomón, Fernando F. (Universidad Nacional de Tucumán) ; Vega, Nadia C. (Universidad Nacional de Tucumán) ; Parella Coll, Teodor (Universitat Autònoma de Barcelona. Departament de Química) ; Morán Vieyra, Faustino Eduardo (Universidad Nacional de Santiago del Estero) ; Borsarelli, Claudio D. (Universidad Nacional de Santiago del Estero) ; Longo, Claudia (University of Campinas) ; Cattaneo, Mauricio (Universidad Nacional de Tucumán) ; Katz, Néstor E. (Universidad Nacional de Tucumán)
A novel series of complexes of the formula [Ru(4,4'-X-bpy)(Mebpy-CN)](PF) (X −CH, −OCH, −N(CH); Mebpy-CN = 4-methyl-2,2'-bipyridine-4'-carbonitrile) have been synthesized and characterized by spectroscopic, electrochemical, and photophysical techniques. [...]
2020 - 10.1021/acsomega.0c00243
ACS omega, Vol. 5, Issue 4 (April 2020) , p. 8097-8107  
2.
6 p, 1.6 MB Simple Coordination Geometry Descriptors Allow to Accurately Predict Metal-Binding Sites in Proteins / Sciortino, Giuseppe (Università di Sassari. Dipartimento di Chimica e Farmacia) ; Garribba, Eugenio (Università di Sassari. Dipartimento di Chimica e Farmacia) ; Rodríguez-Guerra Pedregal, Jaime (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
With more than a third of the genome encoding for metal-containing biomolecules, the in silico prediction of how metal ions bind to proteins is crucial in chemistry, biology, and medicine. To date, algorithms for metal-binding site prediction are mainly based on sequence analysis. [...]
2019 - 10.1021/acsomega.8b03457
ACS omega, Vol. 4, Num. 2 (February 2019) , p. 3726-3731  
3.
11 p, 2.8 MB Water adsorption on MO2 (M = Ti, Ru, and Ir) surfaces. Importance of octahedral distortion and cooperative effects / González Forero, Danilo (Universitat Autònoma de Barcelona. Departament de Química) ; Heras Domingo, Javier (Universitat Autònoma de Barcelona. Departament de Química) ; Pantaleone, Stefano (Universitat Autònoma de Barcelona. Departament de Química) ; Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química)
Understanding metal oxide MO2 (M = Ti, Ru, and Ir)-water interfaces is essential to assess the catalytic behavior of these materials. The present study analyzes the H2O-MO2 interactions at the most abundant (110) and (011) surfaces, at two different water coverages: isolated water molecules and full monolayer, by means of Perdew-Burke-Ernzerhof-D2 static calculations and ab initio molecular dynamics (AIMD) simulations. [...]
2019 - 10.1021/acsomega.8b03350
ACS omega, Vol. 4, Issue 2 (February 2019) , p. 2989-2999  
4.
13 p, 3.3 MB Hydroxylamine derivatives as a new paradigm in the search of antibacterial agents / Miret-Casals, Laia (Universitat de Barcelona. Departament de Química Orgànica) ; Baelo, Aida (Institut de Ciència i Tecnologia de Barcelona) ; Julián Gómez, Esther (Universitat Autònoma de Barcelona. Departament de Genètica i de Microbiologia) ; Astola, Josep (Institut de Ciència i Tecnologia de Barcelona) ; Lobo-Ruiz, Ariadna (Universitat de Barcelona. Departament de Química Orgànica) ; Albericio, Fernando (University of Kwazulu-Natal. School of Chemistry & Physics) ; Torrents, Eduard (Institut de Ciència i Tecnologia de Barcelona)
Serious infections caused by bacteria that are resistant to commonly used antibiotics have become a major global healthcare problem in the 21st century. Multidrug-resistant bacteria causing severe infections mainly grow in complex bacterial communities known as biofilms, in which bacterial resistance to antibacterial agents and to the host immune system is strengthened. [...]
2018 - 10.1021/acsomega.8b01384
ACS omega, Vol. 3, Issue 12 (December 2018) , p. 17057-17069  
5.
12 p, 4.0 MB Unraveling the molecular details of the complete mechanism that governs the synthesis of prostaglandin G2 catalyzed by cyclooxygenase-2 / Cebrián Prats, Anna (Universitat Autònoma de Barcelona. Departament de Química) ; González Lafont, Àngels (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Lluch López, Josep Maria (Universitat Autònoma de Barcelona. Departament de Química)
Cyclooxygenase-2 (COX-2) is the key enzyme involved in the synthesis pathway of prostaglandin G₂ (PGG₂) by transformation of arachidonic acid (AA). Although COX-₂ is one of the principal pharmacological targets by the implication of PGG₂2 in several human diseases, the classical all-radical mechanism proposed for COX-₂ catalysis has never been validated at the molecular level. [...]
2019 - 10.1021/acsomega.8b03575
ACS omega, Vol. 4, issue 1 (Jan. 2019) , p. 2063-2074  
6.
11 p, 2.5 MB Functionalized artificial bidomain proteins based on an α-solenoid protein repeat scaffold : a new class of artificial diels-alderases / Di Meo, Thibault (Institut de Chimie Moléculaire et des Matériaux d'Orsay) ; Kariyawasam, Kalani (Institut de Chimie Moléculaire et des Matériaux d'Orsay) ; Ghattas, Wadih (Institut de Chimie Moléculaire et des Matériaux d'Orsay) ; Valerio-Lepiniec, Marie (Université Paris-Saclay. Institute for Integrative Biology of the Cell) ; Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química) ; Minard, Philippe (Université Paris-Saclay. Institute for Integrative Biology of the Cell) ; Mahy, Jean-Pierre (Institut de Chimie Moléculaire et des Matériaux d'Orsay) ; Urvoas, Agathe (Université Paris-Saclay. Institute for Integrative Biology of the Cell) ; Ricoux, Rémy (Institut de Chimie Moléculaire et des Matériaux d'Orsay)
αRep is a family of entirely artificial repeat proteins. Within the previously described αRep library, some variants are homodimers displaying interdomain cavities. Taking advantage of these properties, one of these homodimers called αRep A3 was converted into entirely artificial single chain bidomain metalloenzymes. [...]
2019 - 10.1021/acsomega.8b03448
ACS omega, Vol. 4, issue 2 (2019) , p. 4437-4447  
7.
6 p, 918.0 KB Development and Validation of a New High-Performance Liquid Chromatography Method for the Simultaneous Quantification of Coenzyme Q10, Phosphatidylserine, and Vitamin C from a Cutting-Edge Liposomal Vehiculization / Ruiz García, Marta (Institut Català de Nanociència i Nanotecnologia) ; Pérez Lozano, Pilar (Universitat de Barcelona. Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica) ; Mercadé Frutós, Débora (Universitat de Barcelona. Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica) ; Nardi Ricart, Anna (Universitat de Barcelona. Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica) ; Suñé Pou, Marc (Universitat de Barcelona. Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica) ; Cano-Sarabia, Mary (Institut Català de Nanociència i Nanotecnologia) ; García Jimeno, Sonia (Institut Català de Nanociència i Nanotecnologia) ; Suñé-Negre, Josep Maria (Universitat de Barcelona. Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica) ; Maspoch Comamala, Daniel (Institut Català de Nanociència i Nanotecnologia) ; García Montoya, Encarna (Universitat de Barcelona. Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica)
A high-performance liquid chromatography (HPLC) method was developed to simultaneously quantify three widely used active substances such as coenzyme Q10, phosphatidylserine, and vitamin C. This new method optimizes current timing and costs in the analyses of these three active substances. [...]
2019 - 10.1021/acsomega.9b02456
ACS omega, Vol. 4, Issue 22 (November 2019) , p. 19710-19715  
8.
6 p, 987.3 KB Effect of cs-incorporated NiOx on the performance of perovskite solar cells / Kim, Hui-Seon (Ecole Polytechnique Fédérale de Lausanne) ; Seo, Ji-Youn (Ecole Polytechnique Fédérale de Lausanne) ; Xie, Haibing (Institut Català de Nanociència i Nanotecnologia) ; Lira-Cantu, Monica (Institut Català de Nanociència i Nanotecnologia) ; Zakeeruddin, Shaik Mohammed (Ecole Polytechnique Fédérale de Lausanne) ; Gratzel, Michael (Ecole Polytechnique Fédérale de Lausanne) ; Hagfeldt, Anders (Ecole Polytechnique Fédérale de Lausanne)
The effect of Cs-incorporated NiO on perovskite solar cells with an inverted structure was investigated, where NiO and PCBM were used as selective contacts for holes and electrons, respectively. It was found that the generation of an Ni phase in an NiO layer was significantly suppressed by employing cesium. [...]
2017 - 10.1021/acsomega.7b01179
ACS omega, Vol. 2, Issue 12 (December 2017) , p. 9074-9079  
9.
7 p, 1.4 MB Self-Assembled Nanofeatures in Complex Three-Dimensional Topographies via Nanoimprint and Block Copolymer Lithography Methods / Cummins, Cian (Trinity College Dublin) ; Borah, Dipu (Trinity College Dublin) ; Rasappa, Sozaraj (Tampere University of Technology) ; Senthamaraikannan, Ramsankar (Trinity College Dublin) ; Delgado Simao, Claudia (Institut Català de Nanociència i Nanotecnologia) ; Francone, Achille (Institut Català de Nanociència i Nanotecnologia) ; Kehagias, Nikolaos (Institut Català de Nanociència i Nanotecnologia) ; Sotomayor Torres, Clivia M. (Institut Català de Nanociència i Nanotecnologia) ; Morris, Michael A. (Trinity College Dublin)
Achieving ultrasmall dimensions of materials and retaining high throughput are critical fabrication considerations for nanotechnology use. This article demonstrates an integrated approach for developing isolated sub-20 nm silicon oxide features through combined "top-down" and "bottom-up" methods: nanoimprint lithography (NIL) and block copolymer (BCP) lithography. [...]
2017 - 10.1021/acsomega.7b00781
ACS omega, Vol. 2, Issue 8 (August 2017) , p. 4417-4423  
10.
13 p, 3.1 MB Design of a Multifunctional Nanoengineered PLLA Surface by Maximizing the Synergies between Biochemical and Surface Design Bactericidal Effects / Nerantzaki, Maria (Aristotle University of Thessaloniki. Department of Chemistry) ; Kehagias, Nikolaos (Institut Català de Nanociència i Nanotecnologia) ; Francone, Achille (Institut Català de Nanociència i Nanotecnologia) ; Fernández Estévez, Ariadna (Institut Català de Nanociència i Nanotecnologia) ; Sotomayor Torres, Clivia M. (Institut Català de Nanociència i Nanotecnologia) ; Papi, Rigini (Aristotle University of Thessaloniki. Department of Chemistry) ; Choli-Papadopoulou, Theodora (Aristotle University of Thessaloniki. Department of Chemistry) ; Bikiaris, Dimitrios N. (Aristotle University of Thessaloniki. Department of Chemistry)
Nanotechnology, the manipulation of matter on atomic, molecular, and supramolecular scales, has become the most appealing strategy for biomedical applications and is of great interest as an approach to preventing microbial risks. [...]
2018 - 10.1021/acsomega.7b01756
ACS omega, Vol. 3, Issue 2 (February 2018) , p. 1509-1521  

Dipòsit Digital de Documents de la UAB : 13 registres trobats   1 - 10següent  anar al registre:
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