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
Institut de Química Computacional i Catàlisi
- sec.iqcc@udg.edu
- +34 972 41 83 57
News
Xavi Ribas has been awarded one of the four PREMIOS A LA EXCELENCIA INVESTIGADORA awards given by the Spanish Royal Society of Chemistry (Real Sociedad Española de Química- RSEQ). These are individual awards designed to recognize scientific excellence scientists that have shown scientific leadership in their area. Congratulations Xavi!
In the coming week (April 4-6) there will be the main event of the year: #GirSem18. This three-day conference is the latest in a series of biannual scientific meetings that have taken place since 1993. From 2016 onwards the conference series have one general topic (Predictive Catalysis) that is in line with the research aims of
Next Tuesday, April 3, will take place the Young Researchers Symposiumat the Centre Cultural La Mercèin connection with the Girona Seminar (April 4-6). This symposium will be organized for, and by, PhD students in order to showcase their results, and we encourage all participants of the Girona Seminar to also attend this symposium. The organizers
Enzymes exist as ensembles of conformations that are important for function. Tuning these populations of conformational states through mutation enables evolution toward novel activity. In the paper published in ACS Catalysis, Adrian Romero-Rivera, Marc Garcia-Borràs, and Sílvia Osuna describe a “shortest path map” tool based on inter-residue correlations along microsecond-scale MD simulations that is able
The University is closed (until Jan. 8), so enjoy the Christmas holidays! We leave you with the best wishes for 2018:
Site-selective C-H functionalization of aliphatic alkyl chains is a longstanding challenge in oxidation catalysis, given the comparable relative reactivity of the different methylenes. A supramolecular, bioinspired approach is described to address this challenge. A Mn complex able to catalyze C(sp3)-H hydroxylation with H2O2 is equipped with 18-benzocrown-6 ether receptors that bind ammonium substrates via hydrogen bonding.
A few weeks ago for the first time an IQCC-related paper appeared in Nature, with the publication of “Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours”, with Maricel Torrent as one of the authors. Maricel defended her PhD thesis “On the mechanisms of Transition-Metal Catalyzed Model Reactions of Industrial and Synthetic Importance:
A group of chemists from the Universidad Complutense de Madrid lead by Prof. Nazario Martín and from the University of Southampton lead by Prof. Richard J. Whitby together with the IQCC members Sílvia Osuna, Miquel Solà, and Marc Garcia-Borràs (ex-member of the IQCC, now in UCLA) have reported the first chemical modification on the endohedral
Today Teresa Corona and Anna Company reported in Anales de Química on metal-imido species, including the Cover picture by them. The corresponding paper (in Spanish) can be found here: Teresa Corona Prieto, Anna Company Casadevall “Especies metal-imido de alta valencia con metales tardíos de la primera serie de transición” An. Quím. 2017, 162-169