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Dr. Carles Fuertes wins oral presentation and Christos Cristou wins poster prize at the II RQIO-SCQ

This month (Feb 5-7, 2025) took place the 2nd meeting of Inorganic & Organometallic Chemistry of the Catalan Chemistry Society in Tarragona (Spain). Dr. Carles Fuertes, postdoc researchers under the supervision of Prof. Xavi Ribas, presented a talk titled “Light-driven molecular motors within confined spaces ” and won a best oral communication award and MSc. Christos Christou, PhD student under the

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Valentina Iannace wins the best oral presentation at the I RQO-SCQ

Last month (Jan 30-31, 2025) took place the I meeting of Organic Chemistry of the Catalan Chemical Society in Barcelona (Spain). MSc. Valentina Iannace, PhD student under the supervision of Prof. Xavi Ribas presented a talk titled “Regioswitchable Bingel bis-functionalization of fullerene C70 via supramolecular masks” and won one best oral communication award. Congratulations Valentina! Girona, 18th February 2025 For more info: ges.iqcc@udg.edu

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Divergent Oxidation Reactions of E- and Z-Allylic Primary Alcohols by an Unspecific Peroxygenase

Unspecific peroxygenases (UPOs) catalyze the selective oxygenation of organic substrates using only hydrogen peroxide as the oxidant. In particular, the PaDa-I variant of the UPO from Agrocybe aegerita has been shown to oxidize Z- and E-allylic alcohols with complementary selectivity, giving epoxide products from Z-isomers (with excellent enantioselectivity, >99 % ee) and carboxylic acid/aldehyde products from E-isomers. In this collaboration study, computational

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Guillem Pey wins poster prize at the II RQTC-SCQ

Last month (Jan 27-28, 2025) took place the II Reunió de Química Teòrica i Computacional in Barcelona (Spain), which included a poster session. MSc. Guillem Pey, PhD student under the supervision of Dr. Josep Maria Luis and Dr. Julio Lloret from ICIQ, presented a poster titled “Mechanistic study of the eletrochemical reduction of CO2 with a Mn(I) catalyst: the microkinetic point of

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Chemistry Department open doors 2025

Last 30th January the Chemistry Department of the University of Girona opened its doors and gives the opportunity to high-school students to know our work through 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. Some IQCC members have participated (Aythami

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Interdisciplinary collaboration to address health challenges through computational chemistry

The Dr. Josep Trueta Biomedical Research Institute of Girona (IDIBGI) and the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) have organized a joint event with the goal of fostering collaboration between researchers from different disciplines. The meeting, held at the IDIBGI in Salt, allowed the sharing of research lines,

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IQCC opened its doors to 210 high-school students from INS Pla de l’estany, INS Llagostera, INS La Bisbal, school Immaculada Concepció, Les Alzines, Montjuïc Girona International School, INS Salvador Espriu and INS Celrà.

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 30th January, it

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International Day of Women and Girls in Science at IQCC 2025

This coming Tuesday (11th of February) is the International day of Women and Girls in Science. 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,

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Hands-on Amsterdam Modeling Suite workshop 2025

During last week (Jan 29th) there was the Hands-on Amsterdam Modeling Suite workshop at the Parc-UdG organized by SCM and Prof. Marcel Swart and Prof. Sílvia Osuna, ICREA researchers at the Institute of Computational Chemistry and Catalysis (IQCC), to learn hands-on how easy it is to use the powerful Amsterdam Modeling Suite for understanding and predicting

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A 5000-fold Increase in the HAT Reactivity of a Nonheme Fe(IV)=O Complex

Nature has chosen high-spin iron(IV)=O oxidants for nonheme iron enzymes with mononuclear active sites to cleave strong substrate C–H bonds. In our efforts to mimic such enzyme active sites and understand the properties of their biomimetic analogs, a new S = 1 FeIV=O complex has been synthesized with oxidative properties superior to those of the

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