Trabajos de Concepcion Rovira

Chemistry


  Listando 54 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article An Epoxide Intermediate in Glycosidase Catalysis Sobala, Lukasz F.; Speciale, Gaetano; Zhu, Sha; Raich, Lluis; Sannikova, Natalia; Thompson, Andrew J.; Hakki, Zalihe; Lu, Dan; Abadi, Saeideh Shamsi Kazem; Lewis, Andrew R.; Rojas-Cervellera, Victor; Bernardo-Seisdedos, Ganeko; Zhang, Yongmin; Millet, Osca ACS CENTRAL SCIENCE 2374-7943 (2020) DOI / 10.1021/acscentsci.0c00111 Gold, Green published, Green accepted
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Article Deciphering the enzymatic mechanism of sugar ring contraction in UDP-apiose biosynthesis Savino, Simone; Borg, Annika J. E.; Dennig, Alexander; Pfeiffer, Martin; De Giorgi, Francesca; Weber, Hansjoerg; Dubey, Kshatresh Dutta; Rovira, Carme; Mattevi, Andrea; Nidetzky, Bernd NATURE CATALYSIS 2520-1158 (2019) DOI / 10.1038/s41929-019-0382-8 Green accepted
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Article Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor McGregor, Nicholas G. S.; Coines, Joan; Borlandelli, Valentina; Amaki, Satoko; Artola, Marta; Nin-Hill, Alba; Linzel, Daniel; Yamada, Chihaya; Arakawa, Takatoshi; Ishiwata, Akihiro; Ito, Yukishige; van der Marel, Gijsbert A.; Codee, Jeroen D. C.; Fushinobu ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2021) DOI / 10.1002/anie.202013920
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Article A Single Point Mutation Converts GH84 O-GIcNAc Hydrolases into Phosphorylases: Experimental and Theoretical Evidence Teze, David; Coines, Joan; Raich, Lluis; Kalichuk, Valentina; Solleux, Claude; Tellier, Charles; Andre-Miral, Corinne; Svensson, Birte; Rovira, Carme JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2020) DOI / 10.1021/jacs.9b09655 Green submitted
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Article The Catalytic Reaction Mechanism of the beta-Galactocerebrosidase Enzyme Deficient in Krabbe Disease Nin-Hill, Alba; Rovira, Carme ACS CATALYSIS 2155-5435 (2020) DOI / 10.1021/acscatal.0c02609 Bronze
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Article Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Darby, John F.; Gilio, Amelia K.; Piniello, Beatriz; Roth, Christian; Blagova, Elena; Hubbard, Roderick E.; Rovira, Carme; Davies, Gideon J.; Wu, Liang ACS CATALYSIS 2155-5435 (2020) DOI / 10.1021/acscatal.0c02222 Green accepted, Gold other
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Article O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering Teze, David; Coines, Joan; Fredslund, Folmer; Dubey, Kshatresh D.; Bidart, Gonzalo N.; Adams, Paul D.; Dueber, John E.; Svensson, Birte; Rovira, Carme; Welner, Ditte H. ACS CATALYSIS 2155-5435 (2021) DOI / 10.1021/acscatal.0c04171
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Article Asparagine Tautomerization in Glycosyltransferase Catalysis. The Molecular Mechanism of Protein O-Fucosyltransferase 1 Piniello, Beatriz; Lira-Navarrete, Erandi; Takeuchi, Hideyuki; Takeuchi, Megumi; Haltiwanger, Robert S.; Hurtado-Guerrero, Ramon; Rovira, Carme ACS CATALYSIS 2155-5435 (2021) DOI / 10.1021/acscatal.1c01785
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Article 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor Artola, Marta; Wu, Liang; Ferraz, Maria J.; Kuo, Chi-Lin; Raich, Lluis; Breen, Imogen Z.; Offen, Wendy A.; Codee, Jeroen D. C.; van der Marel, Gijsbert A.; Rovira, Carme; Aerts, Johannes M. F. G.; Davies, Gideon J.; Overkleeft, Herman S. ACS CENTRAL SCIENCE 2374-7943 (2017) DOI / 10.1021/acscentsci.7b00214 Green accepted, Green published, Gold
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Article Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4 de las Rivas, Matilde; Daniel, Earnest James Paul; Coelho, Helena; Lira-Navarrete, Erandi; Raich, Lluis; Companon, Ismael; Diniz, Ana; Lagartera, Laura; Jimenez-Barbero, Jesus; Clausen, Henrik; Rovira, Carme; Marcelo, Filipa; Corzana, Francisco; Gerken, Th ACS CENTRAL SCIENCE 2374-7943 (2018) DOI / 10.1021/acscentsci.8b00488 Gold DOAJ, Green published
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Article Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-L-Arabinofuranosidases McGregor, Nicholas G. S.; Artola, Marta; Nin-Hill, Alba; Linzel, Daniel; Haon, Mireille; Reijngoud, Jos; Ram, Arthur; Rosso, Marie-Noelle; van der Marel, Gijsbert A.; Codee, Jeroen D. C.; Van Wezel, Gilles P.; Berrin, Jean-Guy; Rovira, Carme; Overkleeft, H JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2020) DOI / 10.1021/jacs.9b11351 Green published, Green accepted, Hybrid
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Article Molecular Mechanisms of Oxygen Activation and Hydrogen Peroxide Formation in Lytic Polysaccharide Monooxygenases Wang, Binju; Walton, Paul H.; Rovira, Carme ACS CATALYSIS 2155-5435 (2019) DOI / 10.1021/acscatal.9b00778 Hybrid, Green accepted, Green published
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Article Activation of O-2 and H2O2 by Lytic Polysaccharide Monooxygenases Wang, Binju; Wang, Zhanfeng; Davies, Gideon J.; Walton, Paul H.; Rovira, Carme ACS CATALYSIS 2155-5435 (2020) DOI / 10.1021/acscatal.0c02914 Bronze, Green accepted
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Article Neutral Organic Radical Formation by Chemisorption on Metal Surfaces Ajayakumar, M. R.; Moreno, Cesar; Alcon, Isaac; Illas, Francesc; Rovira, Concepcio; Veciana, Jaume; Bromley, Stefan T.; Mugarza, Aitor; Mas-Torrent, Marta JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2020) DOI / 10.1021/acs.jpclett.0c00269 Green accepted
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Article Conformational Itinerary of Sucrose During Hydrolysis by Retaining Amylosucrase Alonso-Gil, Santiago; Coines, Joan; Andre, Isabelle; Rovira, Carme FRONTIERS IN CHEMISTRY 2296-2646 (2019) DOI / 10.3389/fchem.2019.00269 Gold DOAJ, Green published
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Article An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor Belz, Tyson; Jin, YI; Coines, Joan; Rovira, Carme; Davies, Gideon J.; Williams, Spencer J. CHEMICAL COMMUNICATIONS 1359-7345 (2017) DOI / 10.1039/c7cc04977c Green accepted, Hybrid
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Article Stability of radical-functionalized gold surfaces by self-assembly and on-surface chemistry Junghoefer, Tobias; Malgorzata Nowik-Boltyk, Ewa; Alejandro de Sousa, J.; Giangrisostomi, Erika; Ovsyannikov, Ruslan; Chass, Thomas; Veciana, Jaume; Mas-Torrent, Marta; Rovira, Concepcio; Crivillers, Nuria; Benedetta Casu, Maria CHEMICAL SCIENCE 2041-6520 (2020) DOI / 10.1039/d0sc03399e Green published, Green submitted, Gold
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Article Glucose transport via the pseudomonad porin OprB: implications for the design of Trojan Horse anti-infectives Coines, Joan; Acosta-Gutierrez, Silvia; Bodrenko, Igor; Rovira, Carme; Ceccarelli, Matteo PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c9cp00778d Green submitted
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Article Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters Chevrier, Daniel M.; Raich, Lluis; Rovira, Carme; Das, Anindita; Luo, Zhentao; Yao, Qiaofeng; Chatt, Amares; Xie, Jianping; Jin, Rongchao; Akola, Jaakko; Zhang, Peng JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2018) DOI / 10.1021/jacs.8b09440
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Article Exploiting the versatile alkyne-based chemistry for expanding the applications of a stable triphenylmethyl organic radical on surfaces Alejandro de Sousa, J.; Bejarano, Francesc; Gutierrez, Diego; Leroux, Yann R.; Malgorzata Nowik-Boltyk, Ewa; Junghoefer, Tobias; Giangrisostomi, Erika; Ovsyannikov, Ruslan; Benedetta Casu, Maria; Veciana, Jaume; Mas-Torrent, Marta; Fabre, Bruno; Rovira, Co CHEMICAL SCIENCE 2041-6520 (2020) DOI / 10.1039/c9sc04499j Green published, Gold
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Article Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors Beenakker, Thomas J. M.; Wander, Dennis P. A.; Offen, Wendy A.; Artola, Marta; Raich, Lluis; Ferraz, Maria J.; Li, Kah-Yee; Houben, Judith H. P. M.; van Rijssel, Erwin R.; Hansen, Thomas; van der Marel, Gijsbert A.; Codee, Jeroen D. C.; Aerts, Johannes M. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2017) DOI / 10.1021/jacs.7b01773 Green accepted, Green submitted, Green published, Hybrid
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Article Sequential Uncaging with Green Light can be Achieved by Fine-Tuning the Structure of a Dicyanocoumarin Chromophore Gandioso, Albert; Palau, Marta; Nin-Hill, Alba; Melnyk, Ivanna; Rovira, Carme; Nonell, Santi; Velasco, Dolores; Garcia-Amoros, Jaume; Marchan, Vicente CHEMISTRYOPEN 2191-1363 (2017) DOI / 10.1002/open.201700067 Green published, Gold
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Article Tetramethylbenzidine-TetrafluoroTCNQ (TMB-TCNQF(4)): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepcio; Girlando, Alberto JOURNAL OF PHYSICAL CHEMISTRY C (2021) DOI / 10.1021/acs.jpcc.1c07131
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Article Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase Petricevic, Marija; Sobala, Lukasz F.; Fernandes, Pearl Z.; Raich, Lluis; Thompson, Andrew J.; Bernardo-Seisdedos, Ganeko; Millet, Oscar; Zhu, Sha; Sollogoub, Matthieu; Jimenez-Barbero, Jesus; Rovira, Carme; Davies, Gideon J.; Williams, Spencer J. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2017) DOI / 10.1021/jacs.6b10075 Green accepted, Green published, Hybrid
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Article Redox-Induced Gating of the Exchange Interactions in a Single Organic Diradical Gaudenzi, Rocco; de Bruijckere, Joeri; Reta, Daniel; Moreira, Iberio de P. R.; Rovira, Concepcio; Veciana, Jaume; van der Zant, Herre S. J.; Burzuri, Enrique ACS NANO 1936-0851 (2017) DOI / 10.1021/acsnano.7b01578 Green published, Green submitted, Hybrid
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Article alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease Artola, Marta; Hedberg, Christinne; Rowland, Rhianna J.; Raich, Lluis; Kytidou, Kassiani; Wu, Liang; Schaaf, Amanda; Ferraz, Maria Joao; van der Marel, Gijsbert A.; Codee, Jeroen D. C.; Rovira, Carme; Aerts, Johannes M. F. G.; Davies, Gideon J.; Overkleeft CHEMICAL SCIENCE 2041-6520 (2019) DOI / 10.1039/c9sc03342d Gold, Green accepted, Green published
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Article How Oxygen Binding Enhances Long-Range Electron Transfer: Lessons From Reduction of Lytic Polysaccharide Monooxygenases by Cellobiose Dehydrogenase Wang, Zhanfeng; Feng, Shishi; Rovira, Carme; Wang, Binju ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2020) DOI / 10.1002/anie.202011408
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Article Perylene pi-Bridges Equally Delocalize Anions and Cations: Proportioned Quinoidal and Aromatic Content Burrezo, Paula Mayorga; Zeng, Wangdong; Moos, Michael; Holzapfel, Marco; Canola, Sofia; Negri, Fabrizia; Rovira, Concepcio; Veciana, Jaume; Hoa Phan; Wu, Jishan; Lambert, Christoph; Casado, Juan ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2019) DOI / 10.1002/anie.201905657 Green submitted
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Article Role of the Open-Shell Character on the Pressure-Induced Conductivity of an Organic Donor-Acceptor Radical Dyad Souto, Manuel; Gullo, Maria Chiara; Cui, HengBo; Casati, Nicola; Montisci, Fabio; Jeschke, Harald O.; Valenti, Roser; Ratera, Imma; Rovira, Concepcio; Veciana, Jaume CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201800881
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Article Oxazoline or Oxazolinium Ion? The Protonation State and Conformation of the Reaction Intermediate of Chitinase Enzymes Revisited Coines, Joan; Alfonso-Prieto, Mercedes; Biarnes, Xevi; Planas, Antoni; Rovira, Carme CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201803905
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Article Study of the E-Z stilbene isomerisation in perchlorotriphenyl-methane (PTM) derivatives Bejarano, F.; Alcon, I.; Crivillers, N.; Mas-Torrent, M.; Bromley, S. T.; Veciana, J.; Rovira, C. RSC ADVANCES (2017) DOI / 10.1039/c6ra28618f Green submitted, Green published, Gold
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Article Precise Probing of Residue Roles by Post-Translational beta,gamma-C,N Aza-Michael Mutagenesis in Enzyme Active Sites Dadova, Jitka; Wu, Kuan-Jung; Isenegger, Patrick G.; Errey, James C.; Bernardes, Goncalo J. L.; Chalker, Justin M.; Raich, Lluis; Rovira, Carme; Davis, Benjamin G. ACS CENTRAL SCIENCE 2374-7943 (2017) DOI / 10.1021/acscentsci.7b00341 Green published, Gold
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Article Design of Perchlorotriphenylmethyl (PTM) Radical-Based Compounds for Optoelectronic Applications: The Role of Orbital Delocalization Diez-Cabanes, Valentin; Seber, Gonca; Franco, Carlos; Bejarano, Francesc; Crivillers, Nuria; Mas-Torrent, Marta; Veciana, Jaume; Rovira, Concepcio; Cornil, Jerome CHEMPHYSCHEM 1439-4235 (2018) DOI / 10.1002/cphc.201800321
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Article Molecular Approach to Electrochemically Switchable Monolayer MoS2 Transistors Zhao, Yuda; Bertolazzi, Simone; Maglione, Maria Serena; Rovira, Concepcio; Mas-Torrent, Marta; Samori, Paolo ADVANCED MATERIALS 0935-9648 (2020) DOI / 10.1002/adma.202000740 Green submitted
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Article Fluid Mixing for Low-Power 'Digital Microfluidics' Using Electroactive Molecular Monolayers Serena Maglione, Maria; Casalini, Stefano; Georgakopoulos, Stamatis; Barbalinardo, Marianna; Parkula, Vitaliy; Crivillers, Nuria; Rovira, Concepcio; Greco, Pierpaolo; Mas-Torrent, Marta SMALL 1613-6810 (2018) DOI / 10.1002/smll.201703344 Green submitted
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Article Electrochemically Gated Long-Distance Charge Transport in Photosystem I Lopez-Martinez, Montse; Lopez-Ortiz, Manuel; Antinori, Maria Elena; Wientjes, Emilie; Nin-Hill, Alba; Rovira, Carme; Croce, Roberta; Diez-Perez, Ismael; Gorostiza, Pau ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2019) DOI / 10.1002/anie.201904374 Green submitted
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Article Allocation of Ambipolar Charges on an Organic Diradical with a Vinylene-Phenylenediyne Bridge Mayorga-Burrezo, Paula; Bejarano, Francesc; Calbo, Joaquin; Zhao, Xiaotao; Alejandro de Sousa, J.; Lloveras, Vega; Bryce, Martin R.; Orti, Enrique; Veciana, Jaume; Rovira, Concepcio; Crivillers, Nuria JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2021) DOI / 10.1021/acs.jpclett.1c01565
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Article Covalent Modification of Highly Ordered Pyrolytic Graphite with a Stable Organic Free Radical by Using Diazonium Chemistry Seber, Gonca; Rudnev, Alexander V.; Droghetti, Andrea; Rungger, Ivan; Veciana, Jaume; Mas-Torrent, Marta; Rovira, Concepcio; Crivillers, Nuria CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2017) DOI / 10.1002/chem.201604700 Green submitted
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Article Redesigning the Coumarin Scaffold into Small Bright Fluorophores with Far-Red to Near-Infrared Emission and Large Stokes Shifts Useful for Cell Imaging Gandioso, Albert; Bresoli-Obach, Roger; Nin-Hill, Alba; Bosch, Manel; Palau, Marta; Galindo, Alex; Contreras, Sara; Rovira, Anna; Rovira, Carme; Nonell, Santi; Marchan, Vicente JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2018) DOI / 10.1021/acs.joc.7b02660 Green accepted
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Article Dynamic and Functional Profiling of Xylan-Degrading Enzymes in Aspergillus Secretomes Using Activity-Based Probes Schroder, Sybrin P.; de Boer, Casper; McGregor, Nicholas G. S.; Rowland, Rhianna J.; Moroz, Olga; Blagova, Elena; Reijngoud, Jos; Arentshorst, Mark; Osborn, David; Morant, Marc D.; Abbate, Eric; Stringer, Mary A.; Krogh, Kristian B. R. M.; Raich, Lluis; Ro ACS CENTRAL SCIENCE 2374-7943 (2019) DOI / 10.1021/acscentsci.9b00221 Green published, Gold, Green accepted
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Article Electrochemically driven host-guest interactions on patterned donor/acceptor self-assembled monolayers Serena Maglione, Maria; Casado-Montenegro, Javier; Fritz, Eva-Corinna; Crivillers, Nuria; Ravoo, Bart Jan; Rovira, Concepcio; Mas-Torrent, Marta CHEMICAL COMMUNICATIONS 1359-7345 (2018) DOI / 10.1039/c8cc00494c
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Article Direct covalent grafting of an organic radical core on gold and silver Ajayakumar, M. R.; Alcon, I.; Bromley, S. T.; Veciana, J.; Rovira, C.; Mas-Torrent, M. RSC ADVANCES (2017) DOI / 10.1039/c7ra01686g Gold
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Article QM/MM Studies into the H2O2-Dependent Activity of Lytic Polysaccharide Monooxygenases: Evidence for the Formation of a Caged Hydroxyl Radical Intermediate Wang, Binju; Johnston, Esther M.; Li, Pengfei; Shaik, Sason; Davies, Gideon J.; Walton, Paul H.; Rovira, Carme ACS CATALYSIS 2155-5435 (2018) DOI / 10.1021/acscatal.7b03888 Green accepted
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Article Oligothienylenevinylene Polarons and Bipolarons Confined between Electron-Accepting Perchlorotriphenylmethyl Radicals Mayorga Burrezo, Paula; Franco, Carlos; Caballero, Ruben; Mas-Torrent, Marta; Langa, Fernando; Lopez Navarrete, Juan T.; Rovira, Concepcio; Veciana, Jaume; Casado, Juan CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201705080
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Article Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases Alonso-Gil, Santiago; Males, Alexandra; Fernandes, Pearl Z.; Williams, Spencer J.; Davies, Gideon J.; Rovira, Carme JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2017) DOI / 10.1021/jacs.6b11247 Hybrid, Green accepted
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Article Bis(aminoaryl) Carbon-Bridged Oligo(phenylenevinylene)s Expand the Limits of Electronic Couplings Mayorga Burrezo, Paula; Lin, Nai-Ti; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Calzado, Eva M.; Boj, Pedro G.; Diaz Garcia, Maria A.; Franco, Carlos; Rovira, Concepcio; Veciana, Jaume; Moos, Michael; Lambert, Christoph; Lopez Navarrete, Juan T.; Tsuji, Hayato ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2017) DOI / 10.1002/anie.201610921 Green submitted
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Article A four-state capacitance molecular switch based on a redox active tetrathiafulvalene self-assembled monolayer Marchante, E.; Maglione, M. S.; Crivillers, N.; Rovira, C.; Mas-Torrent, M. RSC ADVANCES (2017) DOI / 10.1039/c6ra27011e Green published, Gold
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Article Mixed Stack Organic Semiconductors: The Anomalous Case of the BTBT-TCNQF(x) Series Castagnetti, Nicola; Girlando, Alberto; Masino, Matteo; Rizzoli, Corrado; Rovira, Concepcio CRYSTAL GROWTH & DESIGN 1528-7483 (2017) DOI / 10.1021/acs.cgd.7b00852 Green submitted
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Review Photopharmacology of Ion Channels through the Light of the Computational Microscope Nin-Hill, Alba; Mueller, Nicolas Pierre Friedrich; Molteni, Carla; Rovira, Carme; Alfonso-Prieto, Mercedes INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 1661-6596 (2021) DOI / 10.3390/ijms222112072 Green published, Gold
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Article Robust Organic Radical Molecular Junctions Using Acetylene Terminated Groups for C-Au Bond Formation Bejarano, Francesc; Olavarria-Contreras, Ignacio Jose; Droghetti, Andrea; Rungger, Ivan; Rudnev, Alexander; Gutierrez, Diego; Mas-Torrent, Marta; Veciana, Jaume; van der Zant, Herre S. J.; Rovira, Concepci; Burzuri, Enrique; Crivillers, Nuria JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2018) DOI / 10.1021/jacs.7b10019 Green submitted
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Article Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations Wang, Binju; Cao, Zexing; Rovira, Carme; Song, Jinshuai; Shaik, Sason JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2019) DOI / 10.1021/jacs.9b02659
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Article Electrocatalytic oxidative Z/E isomerization of a stilbene favoured by the presence of an electroactive persistent radical Mayorga-Burrezo, Paula; Sporer, Christian; de Sousa, J. Alejandro; Capra, Nicola; Wurst, Klaus; Crivillers, Nuria; Veciana, Jaume; Rovira, Concepcio CHEMICAL COMMUNICATIONS 1359-7345 (2020) DOI / 10.1039/d0cc04973e Green published, Hybrid
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Article Theory Uncovers the Role of the Methionine-Tyrosine-Tryptophan Radical Adduct in the Catalase Reaction of KatGs: O(2)Release Mediated by Proton-Coupled Electron Transfer Wang, Binju; Fita, Ignacio; Rovira, Carme CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201706076
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Article Self-Assembly of an Organic Radical Thin Film and Its Memory Function Investigated Using a Liquid-Metal Electrode Gutierrez, Diego; Riera-Galindo, Sergi; Ajayakumar, M. R.; Veciana, Jaume; Rovira, Concepcio; Mas-Torrent, Marta; Crivillers, Nuria JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2018) DOI / 10.1021/acs.jpcc.8b04170 Green submitted

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