Chemistry
Listando 25 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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pH-Responsive Self-Assembly of Amyloid Fibrils for Dual Hydrolase-Oxidase Reactions
Diaz-Caballero, Marta; Navarro, Susanna; Nuez-Martinez, Miquel; Peccati, Francesca; Rodriguez-Santiago, Luis; Sodupe, Mariona; Teixidor, Francesc; Ventura, Salvador
ACS CATALYSIS
2155-5435 (2021)
DOI /
10.1021/acscatal.0c03093
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8
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Visible-Light Photocatalytic Intramolecular Cyclopropane Ring Expansion
Luis-Barrera, Javier; Laina-Martin, Victor; Rigotti, Thomas; Peccati, Francesca; Solans-Monfort, Xavier; Sodupe, Mariona; Mas-Balleste, Ruben; Liras, Marta; Aleman, Jose
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2017)
DOI /
10.1002/anie.201703334
Green accepted
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7
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1
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Impact of Cu(ii) and Al(iii) on the conformational landscape of amyloid beta(1-42)
Roldan-Martin, Lorena; Peccati, Francesca; Sciortino, Giuseppe; Sodupe, Mariona; Marechal, Jean-Didier
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2021)
DOI /
10.1039/d1cp01561c
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7
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Water Adsorption on MO2 (M = Ti, Ru, and Ir) Surfaces. Importance of Octahedral Distortion and Cooperative Effects
Gonzalez, Danilo; Heras-Domingo, Javier; Pantaleone, Stefano; Rimola, Albert; Rodriguez-Santiago, Luis; Solans-Monfort, Xavier; Sodupe, Mariona
ACS OMEGA
2470-1343 (2019)
DOI /
10.1021/acsomega.8b03350
Green published, Gold
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4
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Interaction between Ruthenium Oxide Surfaces and Water Molecules. Effect of Surface Morphology and Water Coverage
Heras-Domingo, Javier; Sodupe, Mariona; Solans-Monfort, Xavier
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2019)
DOI /
10.1021/acs.jpcc.8b06438
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15
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BCN-M: A Free Computational Tool for Generating Wulff-like Nanoparticle Models with Controlled Stoichiometry
Gonzalez, Danilo; Camino, Bruno; Heras-Domingo, Javier; Rimola, Albert; Rodriguez-Santiago, Luis; Solans-Monfort, Xavier; Sodupe, Mariona
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2020)
DOI /
10.1021/acs.jpcc.9b10506
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14
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Atomistic fibrillar architectures of polar prion-inspired heptapeptides
Peccati, Francesca; Diaz-Caballero, Marta; Navarro, Susanna; Rodriguez-Santiago, Luis; Ventura, Salvador; Sodupe, Mariona
CHEMICAL SCIENCE
2041-6520 (2020)
DOI /
10.1039/d0sc05638c
Green published, Gold
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11
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Article
Surface morphology controls water dissociation on hydrated IrO2 nanoparticles
Gonzalez, Danilo; Sodupe, Mariona; Rodriguez-Santiago, Luis; Solans-Monfort, Xavier
NANOSCALE
2040-3364 (2021)
DOI /
10.1039/d1nr03592d
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7
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Importance of the oxyl character on the IrO2 surface dependent catalytic activity for the oxygen evolution reaction
Gonzalez, Danilo; Heras-Domingo, Javier; Sodupe, Mariona; Rodriguez-Santiago, Luis; Solans-Monfort, Xavier
JOURNAL OF CATALYSIS
0021-9517 (2021)
DOI /
10.1016/j.jcat.2021.02.026
Green submitted
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10
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Activating a Peroxo Ligand for C-O Bond Formation
Pilar del Rio, M.; Abril, Paula; Lopez, Jose A.; Sodupe, Mariona; Lledos, Agusti; Ciriano, Miguel A.; Tejel, Cristina
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2019)
DOI /
10.1002/anie.201808840
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9
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Nucleobase Stacking at Clay Edges, a Favorable Interaction for RNA/DNA Oligomerization
Mignon, Pierre; Navarro-Ruiz, Javier; Rimola, Albert; Sodupe, Mariona
ACS EARTH AND SPACE CHEMISTRY
2472-3452 (2019)
DOI /
10.1021/acsearthspacechem.9b00021
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5
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First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach
Pantaleone, Stefano; Rimola, Albert; Ugliengo, Piero; Sodupe, Mariona
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
DOI /
10.1021/acs.jcim.1c00689
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6
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Enhanced Metallophilicity in Metal-Carbene Systems: Stronger Character of Aurophilic Interactions in Solution
Velle, Alba; Rodriguez-Santiago, Luis; Sodupe, Mariona; Sanz Miguel, Pablo J.
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2020)
DOI /
10.1002/chem.201904507
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4
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Influence of Ligands and Oxidation State on the Reactivity of Pentacoordinated Iron Carbenes with Olefins: Metathesis versus Cyclopropanation
de Brito Sa, Egil; Rodriguez-Santiago, Luis; Sodupe, Mariona; Solans-Monfort, Xavier
ORGANOMETALLICS
0276-7333 (2018)
DOI /
10.1021/acs.organomet.7b00786
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2
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Binding of Thioflavin T and Related Probes to Polymorphic Models of Amyloid-beta Fibrils
Peccati, Francesca; Pantaleone, Stefano; Riffet, Vanessa; Solans-Monfort, Xavier; Contreras-Garcia, Julia; Guallar, Victor; Sodupe, Mariona
JOURNAL OF PHYSICAL CHEMISTRY B
1520-6106 (2017)
DOI /
10.1021/acs.jpcb.7b06675
Green submitted
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3
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How Does Silica Catalyze the Amide Bond Formation under Dry Conditions? Role of Specific Surface Silanol Pairs
Rimola, Albert; Fabbiani, Marco; Sodupe, Mariona; Ugliengo, Piero; Martra, Gianmario
ACS CATALYSIS
2155-5435 (2018)
DOI /
10.1021/acscatal.7b03961
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3
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Enhanced photocatalytic activity of gold nanoparticles driven by supramolecular host-guest chemistry
Padilla, Marc; Peccati, Francesca; Luis Bourdelande, Jose; Solans-Monfort, Xavier; Guirado, Gonzalo; Sodupe, Mariona; Hernando, Jordi
CHEMICAL COMMUNICATIONS
1359-7345 (2017)
DOI /
10.1039/c6cc09600j
Green published, Gold other
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4
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Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes
Alvarez, Maria; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Alvarez, Eleuterio; Sodupe, Mariona; Lledos, Agusti; Perez, Pedro J.
DALTON TRANSACTIONS
1477-9226 (2020)
DOI /
10.1039/d0dt03198d
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1
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Canonical, deprotonated, or zwitterionic? II. A computational study on amino acid interaction with the TiO2(110) rutile surface: comparison with the anatase (101) surface
Pantaleone, S.; Rimola, A.; Sodupe, M.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/d0cp01429j
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2
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Atomistic insights into the structure of heptapeptide nanofibers
Peccati, Francesca; Sodupe, Mariona
JOURNAL OF CHEMICAL PHYSICS
0021-9606 (2021)
DOI /
10.1063/5.0048988
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1
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Site-selective-induced isomerization of formamide
Oberli, S.; Gonzalez-Vazquez, J.; Rodriguez-Perello, E.; Sodupe, M.; Martin, F.; Picon, A.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2019)
DOI /
10.1039/c9cp04441h
Green submitted
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1
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Canonical, Deprotonated, or Zwitterionic? A Computational Study on Amino Acid Interaction with the TiO2 (101) Anatase Surface
Pantaleone, Stefano; Rimola, Albert; Sodupe, Mariona
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2017)
DOI /
10.1021/acs.jpcc.7b03305
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2
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When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT-D2 Simulations
Pantaleone, Stefano; Ugliengo, Piero; Sodupe, Mariona; Rimola, Albert
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2018)
DOI /
10.1002/chem.201803263
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3
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Drastic Effect of the Peptide Sequence on the Copper-Binding Properties of Tripeptides and the Electrochemical Behaviour of Their Copper(II) Complexes
Mena, Silvia; Mirats, Andrea; Caballero, Ana B.; Guirado, Gonzalo; Barrios, Leoni A.; Teat, Simon J.; Rodriguez-Santiago, Luis; Sodupe, Mariona; Gamez, Patrick
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2018)
DOI /
10.1002/chem.201704623
Bronze
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2
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Reactivity of Metal Carbenes with Olefins: Theoretical Insights on the Carbene Electronic Structure and Cyclopropanation Reaction Mechanism
de Brito Sa, E.; Rimola, A.; Rodriguez-Santiago, L.; Sodupe, M.; Solans-Monfort, X.
JOURNAL OF PHYSICAL CHEMISTRY A
1089-5639 (2018)
DOI /
10.1021/acs.jpca.7b11656
