Articles

Articles 19 registres trobats  anterior11 - 19  anar al registre: La cerca s'ha fet en 0.00 segons. 
11.
9 p, 1.3 MB Metal coordination determines the catalytic activity of IrO2 nanoparticles for the oxygen evolution reaction / González, Danilo (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (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)
H2 production through water electrolysis is a promising strategy for storing sunlight energy. For the oxygen evolution reaction, iridium oxide containing materials are state-of-the-art due to their stability in acidic conditions. [...]
2022 - 10.1016/j.jcat.2022.05.023
Journal of Catalysis, Vol. 412 (August 2022) , p. 78-86  
12.
12 p, 6.3 MB Electroinduced crosslinking of triphenylamine-based polybenzoxazines / Gascó, Carolina (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Sebastián Pérez, Rosa Maria (Universitat Autònoma de Barcelona. Departament de Química) ; Guirado López, Gonzalo (Universitat Autònoma de Barcelona. Departament de Química)
Polybenzoxazines attract much attention as good phenolic resins due to their interesting and useful properties. Recently, benzoxazine monomers have been employed as crosslinking agents to enhance the properties of different types of polymers by being used as additives to a secondary cure process. [...]
2022 - 10.1016/j.microc.2022.107878
Microchemical Journal, Vol. 182 (November 2022) , art. 107878  
13.
10 p, 1.9 MB Importance of the oxyl character on the IrO2 surface dependent catalytic activity for the oxygen evolution reaction / González, Danilo (Universitat Autònoma de Barcelona. Departament de Química) ; Heras-Domingo, Javier (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (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)
The oxygen evolution reaction catalyst optimization is hindered because in the desirable acidic conditions the sole active catalysts are RuO and IrO. Thus, the understanding of the factors controlling the reactivity of these materials is mandatory. [...]
2021 - 10.1016/j.jcat.2021.02.026
Journal of Catalysis, Vol. 396 (April 2021) , p. 192-201  
14.
9 p, 1.1 MB Atomistic fibrillar architectures of polar prion-inspired heptapeptides / Peccati, Francesca (Centro de Investigación Cooperativa en Biociencias. Basque Research and Technology Alliance) ; Díaz-Caballero, Marta (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Navarro, Susanna (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Ventura, Salvador (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular ; Universitat Autònoma de Barcelona. Departament de Química
This article provides the computational prediction of the atomistic architectures resulting from self-assembly of the polar heptapeptide sequences NYNYNYN, SYSYSYS and GYGYGYG. Using a combination of molecular dynamics and a newly developed tool for non-covalent interaction analysis, we uncover the properties of a new class of bionanomaterials, including hydrogen-bonded polar zippers, and the relationship between peptide composition, fibril geometry and weak interaction networks. [...]
2020 - 10.1039/d0sc05638c
Chemical science, Vol. 11, Issue 48 (December 2020) , p. 13143-13151  
15.
11 p, 2.8 MB Water adsorption on MO2 (M = Ti, Ru, and Ir) surfaces. Importance of octahedral distortion and cooperative effects / González, 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  
16.
12 p, 4.1 MB Modeling Cu2+-Aβ complexes from computational approaches / Alí Torres, Jorge (Universidad Nacional de Colombia. Departamento de Química) ; Mirats Arce, Andrea (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química)
Amyloid plaques formation and oxidative stress are two key events in the pathology of the Alzheimer disease (AD), in which metal cations have been shown to play an important role. In particular, the interaction of the redox active Cu metal cation with Aβ has been found to interfere in amyloid aggregation and to lead to reactive oxygen species (ROS). [...]
2015 - 10.1063/1.4921072
AIP advances, Vol. 5, Issue 9 (September 2015) , art. 92402  
17.
9 p, 776.2 KB Elucidating the 3D structures of Al()-Aβ complexes : a template free strategy based on the pre-organization hypothesis / Mujika, Jon I. (Euskal Herriko Unibertsitatea. Kimika Fakultatea) ; Rodríguez-Guerra Pedregal, Jaime (Universitat Autònoma de Barcelona. Departament de Química) ; Lopez, Xabier (Euskal Herriko Unibertsitatea. Kimika Fakultatea) ; Ugalde, Jesus M. (Euskal Herriko Unibertsitatea. Kimika Fakultatea) ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
We present a novel strategy to generate accurate 3D models of Al()-Aβ complexes, which circumvents first principles simulations of metal binding to peptides of Aβ. Senile plaques are extracellular deposits found in patients with Alzheimer's Disease (AD) and are mainly formed by insoluble fibrils of β-amyloid (Aβ) peptides. [...]
2017 - 10.1039/c7sc01296a
Chemical science, Vol. 8 (Jul. 2017) , p. 5041-5049  
18.
8 p, 2.3 MB Paradoxical Benefits of Psychological Stress in Inflammatory Dermatoses Models Are Glucocorticoid Mediated / Lin, Tzu-Kai (College of Medicine, National Cheng Kung University. Institute of Clinical Medicine) ; Man, Mao-Qiang (University of California, San Francisco. Dermatology Service) ; Santiago, Juan-Luis (Hospital General Universitario de Ciudad Real) ; Scharschmidt, Tiffany C. (University of California, San Francisco. Dermatology Service) ; Hupe, Melanie (University of California, San Francisco. Dermatology Service) ; Martin-Ezquerra, Gemma (Institut Hospital del Mar d'Investigacions Mèdiques) ; Youm, Jong-Kyung (University of California, San Francisco. Dermatology Service) ; Zhai, Yongjiao (University of California, San Francisco. Dermatology Service) ; Trullas, Carles (ISDIN) ; Feingold, Kenneth R. (University of California, San Francisco. Dermatology Service) ; Elias, Peter M. (University of California, San Francisco. Dermatology Service) ; Universitat Autònoma de Barcelona
Acute psychological stress (PS) mobilizes metabolic responses that are of immediate benefit to the host, but the current medical paradigm holds that PS exacerbates systemic and cutaneous inflammatory disorders. [...]
2014 - 10.1038/jid.2014.265
The Journal of investigative dermatology, Vol. 134 (08 2014) , p. 2890-2897  
19.
20 p, 1.3 MB Basis for enhanced barrier function of pigmented skin / Man, Mao-Qiang (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Lin, Tzu-Kai (Graduate Institute of Clinical Medicine, National Cheng Kung University Medical College & Department of Dermatology, Tainan, Taiwan) ; Santiago, Juan Luis (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Celli, Anna (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Zhong, Lily (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Huang, Zhi-Ming (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Roelandt, Truus (Department of Dermatology, Universitair Ziekenhuis Brussel, Brussels, Belgium) ; Hupe, Melanie (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Sundberg, John P. (Department of Research and Development, The Jackson Laboratory, Bar Harbor, ME) ; Silva, Kathleen A. (Department of Research and Development, The Jackson Laboratory, Bar Harbor, ME) ; Crumrine, Debra (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Martin-Ezquerra, Gemma (Institut Hospital del Mar d'Investigacions Mèdiques) ; Trullas, Carles (ISDIN, Research & Development, Barcelona, Spain) ; Sun, Richard (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Wakefield, Joan S. (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Wei, Maria L. (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Feingold, Kenneth R. (Medical Service, Department of Veterans Affairs Medical Center, and Department of Metabolism, UCSF, San Francisco, CA) ; Mauro, Theodora M. (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Elias, Peter M. (Dermatology Service, Department of Veterans Affairs Medical Center, and Department of Dermatology, UCSF, San Francisco, CA) ; Universitat Autònoma de Barcelona. Departament de Medicina
Humans with darkly-pigmented skin display superior permeability barrier function in comparison to humans with lightly-pigmented skin. The reduced pH of the stratum corneum (SC) of darkly-pigmented skin could account for enhanced function, because acidifying lightly-pigmented human SC resets barrier function to darkly-pigmented levels. [...]
2014 - 10.1038/jid.2014.187
The Journal of investigative dermatology, Vol. 134 (april 2014) , p. 2399-2407  

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