Molecules with nitrogen–nitrogen (N–N) bonds include diverse specialized metabolites from nature, but little is known about the underlying enzymatic mechanisms that have evolved for N–N bond formation. To directly form a single N(sp3)–N(sp3) bond, enzymes must reverse the typical nucleophilicity of one nitrogen. Here we report the structure of PipS, a haem-dependent enzyme that catalyses
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On 25th of April will be the defense of the doctoral thesis of Gibu George, titled “Computational study and design of materials for photovoltaic applications”, supervised by Prof. Miquel Solà and Dr. Anton Stasyuk from IQCC. The jury members will be Prof. Dr. Michal K. Cyranski (Univ. Warsaw), Prof. Dr. Araceli González (Univ. Granada) and Dr. Ferran Feixas (Univ. Girona). Place: Aula
On 24th of April will be the defense of the doctoral thesis of Michele Tomasini, titled “DFT calculation towards predictive organo/organometallic chemistry”, supervised by Dr. Lucia Caporaso , Dr. Laura Falivene and Dr. Albert Poater from IQCC. The jury members will be Dr. Rinaldo Poli (ENSIACET, CNRS-Toulouse), Dr. Xavier Sala (Universitat Autònoma de Barcelona) and Dr. Marta Planas (Universitat de Girona). Place:
The ChemCatChem journal features on its front cover of the March 2025 issue the research article “Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations” by Sethuraman Muthuramalingam and Prof. Miquel Costas in collaboration with Dr. Prabha Vadivelu and Dr. Muniyandi Sankaralingam group. The Cover Feature depicts the hydroxylation of benzene to phenol in the
Next Monday will be the defense of the doctoral thesis of Alejandro Iglesias Reguant, titled “Intermolecular interactions between fluorophores carrying BF/BF2 group and halogenated fluorobenzenes”, supervised by Dr. Borys Osmialowski and Dr. Josep Maria Luis from IQCC. The jury members will be Dr. Przemyslaw Dopieralski (University of Warsaw), Dr. Marcin Palusiak (University of Lodz), and Dr. Michal Cyranski (University of Warsaw). Place: Nicolaus
The project COMENZE: Computational and Experimental Enzyme Engineering for New Polymers, within the HORIZON-MSCA-2023-DN-101169327 call, aims to develop next-generation enzymes to enable recyclable materials and drive the transition to a circular economy. The consortium, coordinated by Dr. Lígia Martins (ITQB-NOVA Portugal), includes partners from different countries: Italy, Spain, Germany, Poland and The Netherlands. The MSCA grant is 2,563.653
This week the BIOTRANS announced that Prof. Sílvia Osuna, ICREA researcher at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, received the BIOTRANS 2025 award, for her scientific career of quality and excellence achievements in biocatalysis. She will present her work at BIOTRANS 2025 in Basel. Trajectory: Osuna received her doctorate in 2010 from the University of Girona (UdG) at
Since 2023 every two months, the IQCC is organizing some sessions of IQCC networking. This activity is trying to promote networking between the people of the all Institute (PIs, postdocs, PhD students, master students and staff) and it is a chemistry-free event. Last Thursday 20th March the 2nd IQCC Day took place. This activity is part of the Networking IQCC activities. We did a BBQ. Below you can find
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 (21%) and permanent researchers staff (29%). Notably, out of the 4 most recent permanent members, 2 are men and 2 are women, reinforcing one of
Repurposing of existing drugs for new indications has attracted substantial attention owing to its potential to accelerate drug development and reduce costs. Hundreds of computational resources such as databases and predictive platforms have been developed that can be applied for drug repurposing, making it challenging to select the right resource for a specific drug repurposing