This paper on melanin components is the first one coming from the MSCA-IF of Jun Wang with Lluís Blancafort. Melanin is the photoprotecting material in living organisms, and it is composed of dihydroxyindole oligomers. We have studied a comprehensive virtual library of minimal oligomer models and obtained insights into the stability and optical properties that
Institut de Química Computacional i Catàlisi
- sec.iqcc@udg.edu
- +34 972 41 83 57
News
The journal European Journal of Inorganic Chemistry features on its front cover the recently published minireview “Fundamental Basis for Implementing Oxidant-Free Au(I)/Au(III) Catalysis”. Oxidant-free Au(I)/Au(III) catalysis can still be regarded as a young and promising chemistry. Because the first examples of gold catalysis were limited to the activation and functionalization of ?-C?C bonds and very little was
Unspecific peroxygenases (UPOs) enable oxyfunctionalizations of a broad substrate range with unparalleled activities. Tailoring these enzymes for chemo- and regioselective transformations represents a grand challenge due to the difficulties in their heterologous productions and lack of structural data. In a new collaboration by the research teams leaded by Dr. Martin Weissenborn (Leibniz Institute of Plant Biochemistry,
Today, the Royal Society of Chemistry (RSC) has announced the 2021 RSC prize winners that recognise individuals, collaborations and teams for their exceptional achievements in advancing the chemical sciences. This year’s 2021 RSC Organic Division Horizon Prize: Bioorganic Chemistry Award recognizes an international Team for the discovery of a new class of enzymes, the pericyclases,
Today the Real Sociedad Española de Química (RSEQ) and Lilly announced that Margarida Borrell Recasens, PhD student at the Institute of Computational Chemistry and Catalysis (IQCC) received one of the three 2021 RSEQ-Lilly awards for best PhD studies in organic, pharmaceutical and analytical chemistry (XIX Premios de Investigación para Alumnos de Doctorado en las áreas de
On May 13-14, several IQCC members participated in a remarkable research conference. For Laia Vicens, Anna Vidal, Albert Poater and Sílvia Simon, going to a conference was nothing new, but this time was different. This was not because of Covid restrictions, but instead because all participants were between 11 and 12 years old! They were present
The Institute of Computational Chemistry and Catalysis of the University of Girona organizes the 2021 virtual edition of the Science Slam to show the most representative research projects of the Institute to a wide audience. A Science Slam is a form of science communication where scientists present their own scientific research work in a short
Last week at the Next Generation of Biocatalysis conference in Bern, Carla Calvó-Tusell, PhD student under the supervision of Dr. Marc Garcia-Borràs and Dr. Sílvia Osuna, presented her work on switching the cofactor specificity of FDH enzyme, and won one of the best oral presentation awards. Congratulations Carla! Girona, June 1, 2021 For more
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
Former member Jesús Antonio Luque-Urrutia has been awarded the 2nd prize for best computational chemistry paper in 2020 given by the Computational Chemistry Group (GEQC) of the Spanish Royal Society of Chemistry (Real Sociedad Española de Química, RSEQ). He has received the award for his paper “Do carbon nano?onions behave as nanoscopic Faraday cages? A comparison