Miquel Costas has recently been selected as a Fellow of the Royal Society of Chemistry (RSC). This scientific society, founded in 1980, aims to promote the understanding and advancement of the chemical sciences. Although the vast majority of more than 54,000 members of the association are British, this is also open to researchers from around
Institut de Química Computacional i Catàlisi
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The aim of the European Young Chemists’ Award (EYCA) is to showcase and recognize the excellent research being carried out by young scientists working in the chemical sciences. In particular the award is intended to honor and encourage younger chemists whose current research displays a high level of excellence and distinction. It seeks to recognize and reward younger
The dynamic adaptability of a supramolecular tetragonal prismatic nanocapsule in the selective separation of fullerenes and endohedral metallofullerenes (EMFs) remained unexplored. Therefore, the essential molecular details of the fullerene recognition and binding process into the coordination capsule and the origins of fullerene selectivity remained elusive. In this work, the key steps of fullerene recognition and
Enzyme powered micro/nanomotors have great potential applications in various areas, especially in the biomedical and environmental fields. To efficiently reach those applications, it is necessary to understand the fundamental aspects affecting the motion dynamics. In this collaboration project between IBEC (Prof. Sanchez), UCM (Dr. Filice), and IQCC (M. Estévez, Dr. Iglesias-Fernández, Prof. Osuna), we explored
The development of catalytic methodologies involving the formation of C-C bonds to enable the generation of cyclic systems constitutes a field of great relevance in synthetic organic chemistry. One paradigmatic process to accomplish this goal efficiently is the transition-metal catalyzed [2+2+2] cycloaddition reaction since it permits the formation of a wide range of highly functionalized
Tomorrow (28th of July, 12h, Sala de Graus, Facultat de Ciències) will take place the defense of the doctoral thesis of Adrián López titled “Aplicación de la técnica GPC al análisis de polímeros de interés industrial ” supervised by Miquel Costas from IQCC and Josep Nadal from Concentrol. We wish him good luck and all
Next Thursday (23th of July, 10.15h, Aula Magna, Facultat de Ciències) will take place the defense of the doctoral thesis of Carles Fuertes titled “Supramolecular nanocapsules as platforms for molecular recognition and reactivity in confined spaces ” supervised by Xavi Ribas from IQCC. Those that you wish to follow the defense online, please click this link https://www.udg.edu/ca/ed/Detall-noticies/eventid/12454 and
Recently, Hilgenfeld and co-workers reported (Science 2020, 368, 409–412) that alpha-ketoamide-derived substrates act as inhibitors of COVID by targeting the SARS-CoV-2 main protease. Their crystal structure analysis provided the basis for an in-depth computational study by Albert Poater, Serra Hunter fellow at IQCC (Univ. Girona). His calculations based on Density Functional Theory provided the origin
The ubiquity and relevance of oxygenated motifs in biologically active compounds calls for the development of effective and selective C-H and C=Coxidation reactions. Inspired by the impressive selectivity and versatility of Nature oxidation catalysts, and especially nonheme Fe oxygenases, chemists have designed small molecule catalysts that can hydroxylate C-H bonds and epoxidize or syn-di-hydroxylate C=C bonds with
The development and application of a novel in vivo selection method enabled the testing of more than >106 variants of formate dehydrogenase (FDH) to switch its cofactor specificity in one single round of protein directed evolution, using multiple mutational sites selected based on previous studies and initial computational modeling. Due to this new approach, key