News

A new twist to an old story: Distinct oxidative activities of the two isomers of a nonheme Fe(IV)-oxo complex with the teramethylcyclam ligand

Joint experimental/computational studies in chemistry provide new complementary insights which are unattainable by experimental or computational chemistry alone. This is confirmed once again by a recent paper in the Proceedings of the National Academy of Sciences USA by research groups of Prof. Que (Univ. Minnesota) and Prof. Swart (ICREA and Univ. Girona). They collaborated in understanding

Continue Reading

2024, International Women’s Day – Women’s IQCC Forum

8th of March is International Women’s Day.  The IQCC has currently a rather favourable balance in gender ratio of staff members, both at the Master level (54%), PhD level (47%), postdocs (17%) and permanent researchers staff (29%). Notably, out of the 4 most recent permanent members, 2 are men and 2 are women, reinforcing one

Continue Reading

60 years old celebration of Prof. Miquel Solà

Last 28th February took place the 60 years celebration of Prof. Miquel Solà. This wonderful moment was celebrated by a symposium in Girona.   Schedule (Aula Magna, Science Faculty) 10.30h Opening by Director of Department of Chemistry Dr. Albert Poater 0.35h Prof. Agustí Lledós – “La química teòrica des dels 80s a la UAB” 11.00h

Continue Reading

Marc Garcia-Borràs and Laia Vicens receive Marcial Moreno-Mañas Award and Josep Castells award of RSEQ-Cat

Marc Garcia-Borràs receives Marcial Moreno-Mañas Award 2023 for young researchers of RSEQ-Cat This week the Real Sociedad Española de Química (RSEQ) announced that Dr. Marc Garcia-Borràs, Ramón y Cajal fellow at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, received the Marcial Moreno-Mañas Award 2023, for his scientific career of quality and excellence. The Marcial Moreno-Mañas Prize for Young Investigators

Continue Reading

Filippo Scarchilli wins poster prize at the XIV Spanish-Italian Symposium on Organic Synthesis

Last month (February 25-27, 2024) took place the XIV Spanish-Italian Symposium on Organic Synthesis in Torino (Italy), which included a poster session. Filippo Scarchilli, PhD student under the supervision of Prof. Miquel Costas, presented a poster titled “Highly selective C(sp3)–H bond oxygenation at remote methylenic sites enabled by polarity enhancement”, and won one of the poster prizes.

Continue Reading

Sílvia Osuna granted a new ERC Proof of Concept grant

Prof. Sílvia Osuna, ICREA Professor at the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG), has been awarded a new European Research Council (ERC) Proof of Concept grant (ERC-2023-POC-101158166). This new ERC-POC is directly related to her previous ERC Starting Grant project NetMoDEzyme and adds to the running ERC-POC GREENZYME

Continue Reading

IQCC opened its doors to 98 high-school students from INS Montsacopa, INS Sant Feliu de Guíxols, INS Vallvera and Montessori Palau Girona

A few times a year, the IQCC opens its doors and gives the opportunity to high-school students to know our work through exciting lectures and computational and experimental workshops. This provides the secondary school pupils the possibility to get a feel for the research and have real-time chemistry in their hands. Last 22nd February, it was

Continue Reading

Biocatalytic strategy for the construction of sp3-rich polycyclic compounds from directed evolution and computational modelling

Catalysis with engineered enzymes has provided more efficient routes for the production of active pharmaceutical agents. However, the potential of biocatalysis to assist in early-stage drug discovery campaigns remains largely untapped. In this study, we have developed a biocatalytic strategy for the construction of sp3-rich polycyclic compounds via the intramolecular cyclopropanation of benzothiophenes and related heterocycles.

Continue Reading

Cover JACS on supramolecular masks

The JACS journal features on its inside inner cover the recently published research article “Regioswitchable Bingel Bis-Functionalization of Fullerene C70 via Supramolecular Masks” by Valentina Iannace, Clara Sabrià and Prof. Xavi Ribas of the QBIS-CAT group and Dr. Ferran Feixas of the TCBioSys group at the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona, also in collaboration with

Continue Reading

IQCC opened its doors to 95 high-school students from INS Narcís Monturiol, INS Montgrí, INS Celestí Bellera and INS Josep Brugulat

A few times a year, the IQCC opens its doors and gives the opportunity to high-school students to know our work through exciting lectures and computational and experimental workshops. This provides the secondary school pupils the possibility to get a feel for the research and have real-time chemistry in their hands. Last 8th February, it

Continue Reading