Dipòsit Digital de Documents de la UAB 9 registres trobats  La cerca s'ha fet en 0.01 segons. 
1.
11 p, 1.3 MB Multiscale study of mononuclear Co" SMMs based on curcuminoid ligands / Díaz Torres, Raúl (Universitat de Barcelona. Departament de Química Inorgànica) ; Menelaou, Melita (Universitat de Barcelona. Departament de Química Inorgànica) ; Roubeau, Olivier (Universidad de Zaragoza. Instituto de Ciencia de Materiales de Aragón (ICMA)) ; Sorrenti, Alessandro (Institut de Ciència dels Materials de Barcelona) ; Brandariz de Pedro, Guillem (Universitat de Barcelona. Departament de Química Inorgànica) ; Sañudo, E. Carolina (Universitat de Barcelona. Departament de Química Inorgànica) ; Teat, Simon J. (Lawrence Berkeley National Laboratory. Advanced Light Source) ; Fraxedas i Calduch, Jordi (Institut Català de Nanociència i Nanotecnologia) ; Ruiz, Eliseo (Universitat de Barcelona. Institut de Química Teòrica i Computacional) ; Aliaga-Alcalde, Núria (Institució Catalana de Recerca i Estudis Avançats)
This work introduces a novel family of Co" species having a curcuminoid (CCMoid) ligand, 9Accm, attached, namely [Co(9Accm)₂(py)₂] (1) and [Co(9Accm)₂(2,20-bpy)] (2), achieved in high yields by the use of a microwave reactor, and exhibiting two different arrangements for the 9Accm ligands, described as "cis"(2) and "trans"(1). [...]
2016 - 10.1039/c5sc03298a
Chemical Science, Vol. 7, Issue 4 (January 2016) , p. 2793-2803  
2.
9 p, 1.4 MB Cyclometalated gold(III) complexes : noticeable differences between (N,C) and (P,C) ligands in migratory insertion / Serra, Jordi (Universitat de Girona. Institut de Química Computacional i Catàlisi) ; Font, Pau (Universitat de Girona. Institut de Química Computacional i Catàlisi) ; Sosa Carrizo, E. Daiann (Université de Pau et des Pays de l'Adour. Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux) ; Mallet Ladeira, Sonia (Institut de Chimie de Toulouse) ; Massou, Stéphane (Institut de Chimie de Toulouse) ; Parella Coll, Teodor (Universitat Autonòma de Barcelona. Servei de Ressonància Magnètica Nuclear) ; Miqueu, Karinne (Université de Pau et des Pays de l'Adour. Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux) ; Amgoune, Abderrahmane (Université Paul Sabatier. Laboratoire Hétérochimie Fondamentale Appliquée) ; Ribas, Xavi (Universitat de Girona. Institut de Química Computacional i Catàlisi) ; Bourissou, Didier (Université Paul Sabatier. Laboratoire Hétérochimie Fondamentale Appliquée)
Gold(III) complexes are garnering increasing interest for opto-electronic, therapeutic and catalytic applications. But so far, very little is known about the factors controlling their reactivity and the very influence of the ancillary ligand. [...]
2018 - 10.1039/c7sc04899h
Chemical Science, Vol. 9 (march 2018) , p. 3932-3940  
3.
5 p, 518.3 KB Emission color tuning and white-light generation based on photochromic control of energy transfer reactions in polymer micelles / Bälter, Magnus (Chalmers University of Technology. Chemistry and Chemical Engineering) ; Li, Shiming (Chalmers University of Technology. Chemistry and Chemical Engineering) ; Morimoto, Masakazu (Rikkyu University. Research Center for Smart Molecules) ; Tang, Sicheng (University of Miami. Laboratory for Molecular Photonics) ; Hernando Campos, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Guirado López, Gonzalo (Universitat Autònoma de Barcelona. Departament de Química) ; Irie, Masahiro (Rikkyu University. Research Center for Smart Molecules) ; Raymo, Françisco M. (University of Miami. Laboratory for Molecular Photonics) ; Andréasson, Joakim (Chalmers University of Technology. Chemistry and Chemical Engineering)
We encapsulate a fluorescent donor molecule and a photochromic acceptor unit (photoswitch) in polymer micelles and show that the color of the emitted fluorescence is continuously changed from blue to yellow upon light-induced isomerization of the acceptor. [...]
2016 - 10.1039/c6sc01623e
Chemical Science, Vol. 7, Num. 9 (June 2016) , p. 5867-5871  
4.
9 p, 998.5 KB Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts / Mognon, Lorenzo (Institute of Chemical Research of Catalonia (ICIQ)) ; Mandal, Sukanta (Institute of Technology Kharagpur. Department of Chemistry) ; Castillo, Carmen E. (Centre National de la Recherche Scientifique (CNRS)) ; Fortage, Jérôme (Centre National de la Recherche Scientifique (CNRS)) ; Molton, Florian (Centre National de la Recherche Scientifique (CNRS)) ; Aromí, Guillem (Universitat de Barcelona. Departament de Química Inorgànica) ; Benet-Buchhlolz, Jordi (Institute of Chemical Research of Catalonia (ICIQ)) ; Collomb, Marie-Noëlle (Centre National de la Recherche Scientifique (CNRS)) ; Llobet Dalmases, Antoni (Universitat Autònoma de Barcelona. Departament de Química)
Four heterotrinuclear complexes containing the ligands 3,5-bis(2-pyridyl)pyrazolate (bpp –) and 2,2′:6′,2′′-terpyridine (trpy) of the general formula {[Ru II (trpy)](μ-[M(X)(bpp)])}(PF) have been prepared for the first time. [...]
2016 - 10.1039/c5sc04672f
Chemical Science, Vol. 7 (february 2016) , p. 3304-3312  
5.
11 p, 1.3 MB A competing, dual mechanism for catalytic direct benzene hydroxylation from combined experimental-DFT studies / Vilella i Arribas, Laia (Universitat Autònoma de Barcelona. Departament de Química) ; Conde, Ana (Universidad de Huelva. Departamento de Química) ; Balcells, David (Universitetet i Oslo. Department of Chemistry) ; Díaz-Requejo, M. Mar (Universidad de Huelva. Departamento de Química) ; Lledós, Agustí (Lledós i Falcó) (Universitat Autònoma de Barcelona. Departament de Química) ; Pérez, Pedro J. (Universidad de Huelva. Departamento de Química)
A dual mechanism for direct benzene catalytic hydroxylation is described. A dual mechanism for direct benzene catalytic hydroxylation is described. Experimental studies and DFT calculations have provided a mechanistic explanation for the acid-free, Tp x Cu-catalyzed hydroxylation of benzene with hydrogen peroxide (Tp x = hydrotrispyrazolylborate ligand). [...]
2017 - 10.1039/c7sc02898a
Chemical Science, Vol. 8, issue 12 (October 2017) , p. 8373-8383  
6.
8 p, 830.0 KB Design of an enantioselective artificial metallo-hydratase enzyme containing an unnatural metal-binding amino acid / Drienovská, Ivana (Stratingh Institute for Chemistry) ; Alonso-Cotchico, Lur (Universitat Autònoma de Barcelona. Departament de Química) ; Vidossich, Pietro (Universitat Autònoma de Barcelona. Departament de Química) ; Lledós, Agustí (Lledós i Falcó) (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química) ; Roelfes, Gerard (Stratingh Institute for Chemistry)
Starting from biochemical knowledge followed by computational design, an artificial metallo-hydratase comprising an unnatural metal binding amino acid was created. The design of artificial metalloenzymes is a challenging, yet ultimately highly rewarding objective because of the potential for accessing new-to-nature reactions. [...]
2017 - 10.1039/c7sc03477f
Chemical science, Vol. 8 (Oct. 2017) , p. 7228-7235  
7.
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  
8.
7 p, 1.1 MB Au()-aryl intermediates in oxidant-free C–N and C–O cross-coupling catalysis / Serra, Jordi (Universitat de Girona. Departament de Química) ; Parella Coll, Teodor (Universitat Autònoma de Barcelona. Servei de Ressonància Magnètica Nuclear) ; Ribas, Xavi (Universitat de Girona. Departament de Química)
Au()-aryl species have been crystallographically isolated as reactive intermediates in oxidant-free C–O and C–N cross coupling processes, using aromatic and aliphatic alcohols and amines, as well as water and amides, as nucleophiles. [...]
2016 - 10.1039/c6sc03699f
Chemical science, Vol. 8 (2017) , p. 946-952  
9.
7 p, 782.7 KB A multi-stimuli responsive switch as a fluorescent molecular analogue of transistors / Gallardo Garcia, Iluminada (Universitat Autònoma de Barcelona. Departament de Química) ; Guirado López, Gonzalo (Universitat Autònoma de Barcelona. Departament de Química) ; Hernando Campos, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Morais, Sandy (Universitat Autònoma de Barcelona. Departament de Química) ; Prats Álvarez, Gemma (Universitat Autònoma de Barcelona. Departament de Química)
A redox-interconverting molecular switch is reported that enables continuous thermal amplification of its fluorescence, thus mimicking the response of transistors. Although the quantum nature of molecules makes them specially suitable for mimicking the operation of digital electronic elements, molecular compounds can also be envisioned to emulate the behavior of analog devices. [...]
2015 - 10.1039/c5sc03395k
Chemical science, Vol. 7, issue 3 (March 2016) , p. 1819-1825  

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