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16 p, 7.8 MB |
Structure directing factors and photophysical properties of five Cu(I)-iodide materials with N-donor heteroaromatic ligands
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Sánchez-Férez, Francisco (Universitat Autònoma de Barcelona. Departament de Química) ;
Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ;
Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ;
Calvet, Teresa (Universitat de Barcelona. Departament de Mineralogia, Petrologia i Geologia Aplicada) ;
Font-Bardia, Mercè (Universitat de Barcelona. Centres Científics i Tecnològics) ;
Pons Picart, Josefina (Universitat Autònoma de Barcelona. Departament de Química)
In this work, two families of Cu(I)-iodide complexes with N-heterocyclic donors ligands bearing amide, phenyl, chloro, and methyl substituents have been synthesized to combine two structural directing factors: attractive interactions and steric bulkiness. [...]
2024 - 10.1016/j.jssc.2024.124639
Journal of solid state chemistry, Vol. 333 (May 2024) , art. 124639
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4.
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39 p, 2.8 MB |
Coordination polymers built from 1,4-bis(imidazol-1-ylmethyl)benzene : from crystalline to amorphous
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Adarsh, Nayarassery N. (Institut Català de Nanociència i Nanotecnologia) ;
Novio Vázquez, Fernando (Institut Català de Nanociència i Nanotecnologia) ;
Ruiz-Molina, Daniel (Institut Català de Nanociència i Nanotecnologia)
The supramolecular chemistry of the bis-imidazole ligand 1,4-bis(imidazol-1-ylmethyl)benzene, popularly known as bix, has been explored by various researchers in order to synthesize functional coordination polymers (CPs). [...]
2016 - 10.1039/c6dt01157h
Dalton transactions, Vol. 45, issue 28 (July 2016) , p. 11233-11255
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5.
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43 p, 2.5 MB |
Validation and Applications of Protein-Ligand Docking Approaches Improved for Metalloligands with Multiple Vacant Sites
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Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ;
Garribba, Eugenio (Università di Sassari. Dipartimento di Chimica e Farmacia) ;
Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
Decoding the interaction between coordination compounds and proteins is of fundamental importance in biology, pharmacy, and medicine. In this context, protein-ligand docking represents a particularly interesting asset to predict how small compounds could interact with biomolecules, but to date, very little information is available to adapt these methodologies to metal-containing ligands. [...]
2019 - 10.1021/acs.inorgchem.8b02374
Inorganic chemistry, Vol. 58, Issue 1 (January 2019) , p. 294-306
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6.
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27 p, 1.8 MB |
Prediction of the interaction of metallic moieties with proteins : An update for protein-ligand docking techniques
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Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ;
Rodríguez-Guerra Pedregal, Jaime (Universitat Autònoma de Barcelona. Departament de Química) ;
Lledós, Agustí (Universitat Autònoma de Barcelona. Departament de Química) ;
Garribba, Eugenio (Università di Sassari. Dipartimento di Chimica e Farmacia) ;
Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
In this article, we present a new approach to expand the range of application of protein-ligand docking methods in the prediction of the interaction of coordination complexes (i. e. , metallodrugs, natural and artificial cofactors, etc. [...]
2018 - 10.1002/jcc.25080
Journal of Computational Chemistry, Vol. 39, Issue 1 (January 2018) , p. 42-51
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10 p, 5.0 MB |
Water-Stable Upconverting Coordination Polymer Nanoparticles for Transparent Films and Anticounterfeiting Patterns with Air-Stable Upconversion
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Zhang, Junda (Universitat Autònoma de Barcelona. Departament de Química) ;
Ruiz-Molina, Daniel (Institut Català de Nanociència i Nanotecnologia) ;
Novio Vázquez, Fernando (Universitat Autònoma de Barcelona. Departament de Química) ;
Roscini, Claudio (Institut Català de Nanociència i Nanotecnologia)
Photon upconversion (UC) based on triplet-triplet annihilation is a very promising phenomenon with potential application in several areas, though, due to the intrinsic mechanism, the achievement of diffusion-limited solid materials with air-stable UC is still a challenge. [...]
2023 - 10.1021/acsami.2c16354
ACS applied materials & interfaces, Vol. 15, Issue 6 (February 2023) , p. 8377-8386
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16 p, 2.0 MB |
Coordination polymer to atomically thin, holey, metal-oxide nanosheets for tuning band alignment
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Mofarah, Sajjad S. (University of New South Wales. School of Materials Science & Engineering) ;
Adabifiroozjaei, Esmaeil (National Institute for Materials Science (Tsukuba, Japó). Research Center for Functional Materials) ;
Pardehkhorram, Raheleh (University of New South Wales. School of Chemistry) ;
Assadi, Hussein (University of New South Wales. School of Materials Science & Engineering) ;
Hinterstein, Manuel (Karlsruhe Institute of Technology) ;
Yao, Yin (University of New South Wales. Mark Wainwright Analytical Centre) ;
Liu, Xinhong (University of New South Wales. School of Materials Science & Engineering) ;
Ghasemian, Mohammad B. (University of New South Wales. School of Chemical Engineering) ;
Kalantar-Zadeh, Kourosh (University of New South Wales. School of Chemical Engineering) ;
Mehmood, Rashid (Macquarie University. Department of Physics and Astronomy) ;
Cazorla, Claudio (University of New South Wales. School of Materials Science & Engineering) ;
Shahmiri, Reza (University of New South Wales. School of Materials Science & Engineering) ;
Bahmanrokh, Ghazaleh (University of New South Wales. School of Materials Science & Engineering) ;
Bhattacharyya, Saroj (University of New South Wales. Mark Wainwright Analytical Centre) ;
Spadaro, Maria Chiara (Institut Català de Nanociència i Nanotecnologia) ;
Arbiol i Cobos, Jordi (Institut Català de Nanociència i Nanotecnologia) ;
Lim, Sean (University of New South Wales. Mark Wainwright Analytical Centre) ;
Xu, Yuwen (University of New South Wales. School of Materials Science & Engineering) ;
Arandiyan, Hamidreza (University of Sydney. Laboratory of Advanced Catalysis for Sustainability) ;
Scott, Jason (University of New South Wales. Particles and Catalysis Research Group) ;
Koshy, Pramod (University of New South Wales. School of Materials Science & Engineering) ;
Sorrell, Charles C. (University of New South Wales. School of Materials Science & Engineering)
Holey 2D metal oxides have shown great promise as functional materials for energy storage and catalysts. Despite impressive performance, their processing is challenged by the requirement of templates plus capping agents or high temperatures; these materials also exhibit excessive thicknesses and low yields. [...]
2019 - 10.1002/adma.201905288
Advanced materials, Vol. 31, issue 52 (Dec. 2019) , art. 1905288
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8 p, 2.7 MB |
Magnetic properties of coordination clusters with {Mn4} and {Co4} antiferromagnetic cores
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Achilli, Simona (Universitá degli Studi di Milano. Dipartimento di Fisica "Aldo Pontremoli") ;
Besson, Claire (The George Washington University. Department of Chemistry) ;
He, Xu (Institut Català de Nanociència i Nanotecnologia) ;
Ordejon, Pablo (Institut Català de Nanociència i Nanotecnologia) ;
Meyer, Carola (Universität Osnabrück. Department of Physics) ;
Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia)
We present a joint experimental and theoretical characterization of the magnetic properties of coordination clusters with an antiferromagnetic core of four magnetic ions. Two different compounds are analyzed, with Co and Mn ions in the core. [...]
2022 - 10.1039/d1cp03904k
Physical chemistry chemical physics, Vol. 24, issue 6 (Feb. 2022) , p. 3780-3787
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