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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Month: January 2019
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
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
After some recent papers in Nature, and Nature by members of the IQCC, and in Nature and Science by former IQCC members, right now we have a new entry: Today a former IQCC member (Davide Angelone) published in Science, with the publication of “Organic synthesis in a modular robotic system driven by a chemical programming language”. Davide defended his
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
Today appeared in Angewandte Chemie a paper by Sílvia Osuna and co-workers where they used Markov state models to discover hidden conformations. Enzymes exist as an ensemble of conformational states, whose populations can be shifted by substrate binding, allosteric interactions, but also by introducing mutations to their sequence. Tuning the populations of the enzyme conformational
Eduard Matito was graduated in Chemistry at the University of Girona and he performed the PhD in the former Institut de Química Computacional (IQC) under the supervision of Prof. Miquel Solà and Prof. Miquel Duran in the field of computational chemistry and method development. Then, he worked as a postdoctoral investigator in the groups of