Trabajos de Xabier Lopez

Chemistry


  Listando 37 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article Flavin Bioorthogonal Photocatalysis Toward Platinum Substrates Gurruchaga-Pereda, Juan; Martinez-Martinez, Virginia; Rezabal, Elixabete; Lopez, Xabier; Garino, Claudio; Mancin, Fabrizio; Cortajarena, Aitziber L.; Salassa, Luca ACS CATALYSIS 2155-5435 (2020) DOI / 10.1021/acscatal.9b02863 Green submitted
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Article Enhancing the Photocatalytic Conversion of Pt(IV) Substrates by Flavoprotein Engineering Gurruchaga-Pereda, Juan; Martinez-Martinez, Virginia; Formoso, Elena; Azpitarte, Oksana; Rezabal, Elixabete; Lopez, Xabier; Cortajarena, Aitziber L.; Salassa, Luca JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2021) DOI / 10.1021/acs.jpclett.1c00802
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Article Probing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis** Martins, Frederico F.; Sanchez-Gonzalez, Angel; Lanuza, Jose; Miras, Haralampos N.; Lopez, Xabier; Bandeira, Nuno A.; Gil, Adria CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2021) DOI / 10.1002/chem.202004989
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Article Riboflavin as a bioorthogonal photocatalyst for the activation of a Pt-IV prodrug Alonso-de Castro, Silvia; Ruggiero, Emmanuel; Ruiz-de-Angulo, Ane; Rezabal, Elixabete; Mareque-Rivas, Juan C.; Lopez, Xabier; Lopez-Gallego, Fernando; Salassa, Luca CHEMICAL SCIENCE 2041-6520 (2017) DOI / 10.1039/c7sc01109a Green published, Green submitted, Gold
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Review Insights from Adsorption and Electron Modification Studies of Polyoxometalates on Surfaces for Molecular Memory Applications Moors, Marco; Warneke, Jonas; Lopez, Xavier; de Graaf, Coen; Abel, Bernd; Monakhov, Kirill Yu ACCOUNTS OF CHEMICAL RESEARCH 0001-4842 (2021) DOI / 10.1021/acs.accounts.1c00311
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Article Tuning Photoinduced Electron Transfer in POM-Bodipy Hybrids by Controlling the Environment: Experiment and Theory Toupalas, Georgios; Karlsson, Joshua; Black, Fiona A.; Masip-Sanchez, Albert; Lopez, Xavier; Ben M'Barek, Youssef; Blanchard, Sebastien; Proust, Anna; Alves, Sandra; Chabera, Pavel; Clark, Ian P.; Pullerits, Tonu; Poblet, Josep M.; Gibson, Elizabeth A.; Iz ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2021) DOI / 10.1002/anie.202014677 Green submitted
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Article Electron-Pair Distribution in Chemical Bond Formation Rodriguez-Mayorga, M.; Via-Nadal, M.; Sola, M.; Ugalde, J. M.; Lopez, X.; Matito, E. JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2018) DOI / 10.1021/acs.jpca.7b12556 Green accepted
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Article Markov state models from hierarchical density-based assignment Mitxelena, Ion; Lopez, Xabier; de Sancho, David JOURNAL OF CHEMICAL PHYSICS 0021-9606 (2021) DOI / 10.1063/5.0056748 Green submitted
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Article Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation Grande-Aztatzi, Rafael; Formoso, Elena; Mujika, Jon, I; de Sancho, David; Lopez, Xabier JOURNAL OF INORGANIC BIOCHEMISTRY 0162-0134 (2020) DOI / 10.1016/j.jinorgbio.2020.111169
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Article Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2C12(DMF)(2) Lanuza, Jose; Sanchez-Gonzalez, Angel; Bandeira, Nuno A. G.; Lopez, Xabier; Gil, Adria INORGANIC CHEMISTRY 0020-1669 (2021) DOI / 10.1021/acs.inorgchem.1c01088
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Article Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands Elleuchi, Sawssen; Ortiz de Luzuriaga, Iker; Sanchez-Gonzalez, Angel; Lopez, Xabier; Jarraya, Khaled; Calhorda, Maria Jose; Gil, Adria INORGANIC CHEMISTRY 0020-1669 (2020) DOI / 10.1021/acs.inorgchem.0c01793
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Article How Does the Redox State of Polyoxovanadates Influence the Collective Behavior in Solution? A Case Study with [I@V18O42](q-) (q=3, 5, 7, 11, and 13) Sole-Daura, Albert; Notario-Estevez, Almudena; Carbo, Jorge J.; Poblet, Josep M.; de Graaf, Coen; Monakhov, Kiri Yu.; Lopez, Xavier INORGANIC CHEMISTRY 0020-1669 (2019) DOI / 10.1021/acs.inorgchem.8b03508
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Article The Coulomb Hole of the Ne Atom Rodriguez-Mayorga, Mauricio; Ramos-Cordoba, Eloy; Lopez, Xabier; Sola, Miquel; Ugalde, Jesus M.; Matito, Eduard CHEMISTRYOPEN 2191-1363 (2019) DOI / 10.1002/open.201800235 Green published, Green submitted, Gold
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Article How is silicic acid transported in plants? Exley, Christopher; Guerriero, Gea; Lopez, Xabier SILICON 1876-990X (2020) DOI / 10.1007/s12633-019-00360-w Gold other, Green accepted
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Article Decoding the role of encapsulated ions in the electronic and magnetic properties of mixed-valence polyoxovanadate capsules {X@V22O54} (X = ClO4-, SCN-, VO2F2-): a combined theoretical approach Notario-Estevez, Almudena; Kozlowski, Piotr; Linnenberg, Oliver; de Graaf, Coen; Lopez, Xavier; Monakhov, Kirill Yu. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2018) DOI / 10.1039/c8cp02669f Hybrid
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Article Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States Linnenberg, Oliver; Moors, Marco; Notario-Estevez, Almudena; Lopez, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2018) DOI / 10.1021/jacs.8b08780
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Article Kojic acid derivatives as double face ligands for metal and phosphate ions. Lachowicz, Joanna, I; Todde, Debora; Aberamchuk, Krystsina; Picci, Giacomo; Murgia, Sergio; Nurchi, Valeria M.; Klepka, Marcin; Kalinowska, Diana; Dalla Torre, Gabriele; Mujika, Joni; Lopez, Xabier; Caltagirone, Claudia JOURNAL OF INORGANIC BIOCHEMISTRY (2021) DOI / 10.1016/j.jinorgbio.2021.111520
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Article The interaction of aluminum with catecholamine-based neurotransmitters: can the formation of these species be considered a potential risk factor for neurodegenerative diseases? Dalla Torre, Gabriele; Mujika, Jon, I; Izabela Lachowicz, Joanna; Ramos, Maria J.; Lopez, Xabier DALTON TRANSACTIONS 1477-9226 (2019) DOI / 10.1039/c8dt04216k Gold other
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Article Encapsulation of Chaotropic closo-Decahydrodecaborate Clusters Within Cyclodextrins: Synthesis, Solution Studies, and DFT Calculations Diab, Manal; Floquet, Sebastien; Haouas, Mohamed; Abramov, Pavel A.; Lopez, Xavier; Landy, David; Damond, Aurelie; Falaise, Clement; Guerineau, Vincent; Touboul, David; Naoufal, Daoud; Cadot, Emmanuel EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 1434-1948 (2019) DOI / 10.1002/ejic.201900602 Green submitted
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Article Gating the conductance of extended metal atom chains: a computational analysis of Ru-3(dpa)(4)(NCS)(2) and [Ru-3(npa)(4)(NCS)(2)] Spivak, Mariano; de Graaf, Coen; Arcisauskaite, Vaida; Lopez, Xavier PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2021) DOI / 10.1039/d1cp02429a
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Article Backbone flexibility of extended metal atom chains. Ab initio molecular dynamics for Cr-3(dpa)(4)X-2 (X = NCS, CN, NO3) in gas and crystalline phases Spivak, M.; Arcisauskaite, V.; Lopez, X.; de Graaf, C. DALTON TRANSACTIONS 1477-9226 (2017) DOI / 10.1039/c7dt03520a
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Article Metal self-assembly mimosine peptides with enhanced antimicrobial activity: towards a new generation of multitasking chelating agents Lachowicz, Joanna Izabela; Dalla Torre, Gabriele; Cappai, Rosita; Randaccio, Enrico; Nurchi, Valeria M.; Bachor, Remigiusz; Szewczuk, Zbigniew; Jaremko, Lukasz; Jaremko, Mariusz; Pisano, Maria Barbara; Cosentino, Sofia; Orru, Germano; Ibba, Antonella; Muji DALTON TRANSACTIONS 1477-9226 (2020) DOI / 10.1039/c9dt04545g Green published, Green submitted, Hybrid
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Review New Insights on the Interaction of Phenanthroline Based Ligands and Metal Complexes and Polyoxometalates with Duplex DNA and G-Quadruplexes Sanchez-Gonzalez, Angel; Bandeira, Nuno A. G.; Ortiz de Luzuriaga, Iker; Martins, Frederico F.; Elleuchi, Sawssen; Jarraya, Khaled; Lanuza, Jose; Lopez, Xabier; Calhorda, Maria Jose; Gil, Adria MOLECULES (2021) DOI / 10.3390/molecules26164737 Green published, Gold
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Article Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserine Formoso, Elena; Grande-Aztatzi, Rafael; Lopez, Xabier JOURNAL OF INORGANIC BIOCHEMISTRY 0162-0134 (2019) DOI / 10.1016/j.jinorgbio.2018.12.004
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Article Reactivity of a (Benzene)Ruthenium(II) Cation on a Di-lacunary -Keggin-Type Silicotungstate and Synthesis of a Mono-(Benzene)Ruthenium(II)-Attached -Keggin-Type Silicotungstate Kikuchi, Masaya; Ota, Hiromi; Lopez, Xavier; Nakaya, Toshimi; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 1434-1948 (2018) DOI / 10.1002/ejic.201701311
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Article Aluminum and Fenton reaction: how can the reaction be modulated by speciation? A computational study using citrate as a test case Mujika, Jon I.; Dalla Torre, Gabriele; Lopez, Xabier PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2018) DOI / 10.1039/c8cp02962h Gold other
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Article Unveiling the Catalytic Role of B-Block Histidine in the N-S Acyl Shift Step of Protein Splicing Mujika, J. I.; Lopez, X. JOURNAL OF PHYSICAL CHEMISTRY B 1520-6106 (2017) DOI / 10.1021/acs.jpcb.7b04276
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Article Methane activation by alternant [N2O2](center dot+) and [N2S2](center dot+) cluster radical cations Szlapa, Ewa N.; Lopez, Xabier; Ugalde, Jesus M. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 1387-3806 (2019) DOI / 10.1016/j.ijms.2018.12.015
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Article Tuning the affinity of catechols and salicylic acids towards Al(III): characterization of Al-chelator interactions Dalla Torre, Gabriele; Mujika, Jon I.; Formoso, Elena; Matito, Eduard; Ramos, Maria J.; Lopez, Xabier DALTON TRANSACTIONS 1477-9226 (2018) DOI / 10.1039/c8dt01341a Green submitted, Hybrid
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Article Reconciling the valence state with magnetism in mixed-valent polyoxometalates: the case of a {VO2F2@V22O54} cluster Kozlowski, Piotr; Notario-Estevez, Almudena; de Graaf, Coen; Lopez, Xavier; Monakhov, Kirill Yu. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2017) DOI / 10.1039/c7cp06390c Hybrid
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Article Bicapped Keggin polyoxomolybdates: discrete species and experimental and theoretical investigations on the electronic delocalization in a chain compound Salomon, William; Riviere, Eric; Lopez, Xavier; Suaud, Nicolas; Mialane, Pierre; Haouas, Mohamed; Saad, Ali; Marrot, Jerome; Dolbecq, Anne DALTON TRANSACTIONS 1477-9226 (2018) DOI / 10.1039/c8dt01313f
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Article Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative Hayashi, Akio; Wihadi, Muh Nur Khoiru; Ota, Hiromi; Lopez, Xavier; Ichihashi, Katsuya; Nishihara, Sadafumi; Inoue, Katsuya; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro ACS OMEGA 2470-1343 (2018) DOI / 10.1021/acsomega.8b00163 Gold DOAJ, Green published
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Article Trends in the Bond Multiplicity of Cr-2, Cr-3, and Cr2M (M = Zn, Ni, Fe, Mn) Complexes Extracted from Multiconfigurational Wave Functions Spivak, Mariano; Lopez, Xavier; de Graaf, Coen JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2019) DOI / 10.1021/acs.jpca.8b10124
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Article Performance of the NOF-MP2 method in hydrogen abstraction reactions Lopez, Xabier; Piris, Mario THEORETICAL CHEMISTRY ACCOUNTS 1432-881X (2019) DOI / 10.1007/s00214-019-2475-5 Green submitted
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Article A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains Spivak, M.; Arcisauskaite, V.; Lopez, X.; McGrady, J. E.; de Graaf, C. DALTON TRANSACTIONS 1477-9226 (2017) DOI / 10.1039/c7dt01096f Green submitted, Green published, Hybrid
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Article Photosensitization mechanism of Cu(II) porphyrinst Uranga, Jon; Matxain, Jon M.; Lopez, Xabier; Ugalde, Jesus M.; Casanova, David PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2017) DOI / 10.1039/c7cp03319b
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Article In silico design of mimosine containing peptides as new efficient chelators of aluminum Mujika, J., I; Dalla Torre, G.; Lachowicz, J., I; Lopez, X. RSC ADVANCES (2019) DOI / 10.1039/c8ra10139f Gold DOAJ, Green published

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