News

Miquel Costas repeats the ICREA Acadèmia award

The Catalan Institution for Research and Advanced Studies (ICREA) is a foundation promoted by Catalan Government whose aim is to encourage research in Catalonia. Miquel Costas, a researcher member of IQCC and ERC-Starting Grant holder won the ICREA Acadèmia awards 2018 for his research carrier. It is the third time that he receives this award (after

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Summer scholarships for UdG students (beques d’estiu 2019)

The Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) is a worldwide reference unit in computational chemistry and catalysis that aims at carrying out groundbreaking research on predictive chemistry for catalysis, with special focus on the processes occurring at the confined space for the coming years. One of the pillars

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Discovery of a new therapeutic target in liver cancer

A few months after the discovery how an enzyme stores the energy in our body, researchers of the IQCC have published again a paper in Nature. Ferran Feixas and Sílvia Osuna provided the computational chemistry support for the discovery that a protein related to cell stress (p38g) regulates cell division. The activation of this protein is essential

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Sílvia Osuna wins Lilly Prize for young investigator

Today the Real Sociedad Española de Química announced that Dr. Sílvia Osuna received the Premio Lilly al Joven Investigador 2019, for her outstanding scientific career on enzyme design, fullerenes, and carbon materials. This prize is rewarded annually to young Spanish researchers (under the age of 40) that have shown excellent scientific quality and stand out for their professional

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ChemistryOpen Cover on the Coulomb Hole of Ne

A group of chemists from the Euskal Herriko Unibertsitatea (UPV/EHU) and the Donostia International Physics Center (DIPC) lead by Dr. Eduard Matito (ex-member IQCC) together with the IQCC members Mauricio Rodríguez-Mayorga (now in ETH Zurich, Switzerland) and Dr. Miquel Solà, have studied the Coulomb hole of Ne from highly-accurate CISD wave functions obtained from optimized even-tempered basis sets.

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Fe(V) intermediate mimics enzymes in the gas phase

The constant environmental pollution due to different toxic products derived from oil-based industries is nowadays a worldwide problem. Specifically, the toxic products of anthropic origin are not always possible to contain, which makes it necessary to intervene in its decontamination. This challenge can be achieved by breaking down the toxic products using specific bacteria that

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Discovery of how an enzyme stores the energy in our body

Javier Iglesias (IQCC) and researchers from Univ. Oxford, Univ. Southampton, Univ. Barcelona and ICREA observed the inner workings of the glycogenin enzyme after treating it with palladium A research team from four universities (Oxford, Southampton, Barcelona, Girona), among which Javier Iglesias of the Institut de Química Computacional i Catàlisi (IQCC), recently published in Nature a study

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Trapping of a Highly Reactive Oxoiron(IV) Complex

Oxoiron(IV) species are the active oxidants in catalytic oxidation reactions by nonheme iron enzymes, but have been rarely captured and/or identified as the actual oxidizing species in catalytic epoxidation or hydroxylation reactions involving synthetic nonheme iron complexes. We now report the generation of a nonheme oxoiron(IV) intermediate, [(cyclam)FeIV(O)(CH3CN)]2+ (2; cyclam = 1,4,8,11-tetraazacyclotetradecane), in the reactions

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Generation of H2 by an Environmental Friendly Mn-Catalyzed Reaction

A pure computational paper by Miquel Solà, Albert Poater and co-workers has been undertaken to favour the generation of H2, once known experimentally by Milstein and coworkers that Mn-pincer could catalyze the acceptorless dehydrogenative coupling of nitriles and alcohols to yield acrylonitriles. The reaction mechanism proposed in that work contained some intermediates that, in most

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Olga Stasyuk, new Juan de la Cierva researcher

Starting 1stJanuary 2019, Olga A. Stasyuk has become a Juan de la Cierva-formación postdoc researcher of the Institute of Computational Chemistry and Catalysis (IQCC) working in the DiMoCat group. Dr. Stasyuk obtained her PhD at the Warsaw University of Technology in 2015. During her doctoral studies under the supervision of Prof. Halina Szatylowicz, she investigated the

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