In this work, a team led by Dr. Marc Garcia-Borràs report a computationally driven approach to access enantiodivergent enzymatic carbene N–H insertions catalyzed by P411 enzymes. Computational modeling, carried out by PhD student Carla Calvó-Tusell, was employed to rationally guide engineering efforts to control the accessible conformations of a key lactone-carbene (LAC) intermediate in the
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Dr. Eduard Masferrer has recently joined the Institute of Computational Chemistry and Catalysis (IQCC) as a new member. He obtained his PhD from Utrecht University in The Netherlands, under the supervision of Prof. Robertus J.M. Klein Gebbink. Throughout his doctoral studies, Dr. Masferrer focused on advancing the field of aromatic oxidation reactions by developing catalysts
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
The development of novel strategies to introduce chirality at a molecular level is a longstanding pursuit within the organic chemistry community. The generation of chiral alcohols has an important role for the synthesis of many bioactive molecules, however the asymmetric construction of C-O in an enantioselective manner from C(sp3)-H bond rich and readily available starting
Last week, our member of IQCC Lorena Capdevila was awarded the annual recognition of the best PhD thesis in 2022 (Premi Extraordinari) from the University of Girona. Last year, she defended with success her PhD thesis on “Chelation-assisted metal-catalyzed functionalization of strong Csp2-H / Heteroatom bonds: Trapping intermediate species and unveiling mechanistic details”, supervised by Xavi Ribas. Now,
Next week Friday will be the defense of the doctoral thesis of Carla Calvó Tusell, titled “Computational Strategies for Understanding the Molecular Bases of Biochemical and Biocatalytic Processes”, supervised by Prof. Sílvia Osuna and Dr. Marc Garcia-Borràs from IQCC. Place: Aula Magna – Facultat de Ciències Date: Friday June 2, 2023 Time: 11.00h We wish
Every year in May since 2013 is organizing the international Print of Science festival. This year is organizing by ICREA, IDIBGI, BTM, ERAM and the Scientific Culture and Digital Communication (C4D) unit of the UdG. Print of Science is an international event with the aim to bring science closer to the general public in a
Angewandte Chemie International Edition features on its front cover the recently published research article “Harnessing the Structure and Dynamics of the Squalene-Hopene Cyclase for (?)-Ambroxide Production”. Ambergris is a highly valued natural product in the fragrance industry and is also known as “floating gold” because of its biosynthesis in the intestines of sperm whales. Owing
Last 20th April took place the 30 years IQC(C) celebration. This wonderful moment was celebrated by a symposium and get-together in Girona. Schedule (Aula Magna, Science Faculty) 09.30h Opening by Honorific Director Prof. Ramon Carbó-Dorca and ViceRector Research Dr. Maria Pla de Solà-Morales Session 1: Chair: Lorenzo D’Amore 09.50h-10.15h Jordi Mestres – “From Similarity to
The Organic Letters Journal features on its front cover the recently published research article “Enantioselective Molecular Recognition in a Flexible Self-Folding Cavitand” by Dr. Agustí Lledó and co-workers. A chiral and adaptable self-folding cavitand receptor based on calix[5]arene folds around the matched enantiomer of a chiral tetraalkylammonium guest, with the Els Encantats mountain (Catalan Pyrenees)