The IQCC is starting a new series of online talks to address challenges in the research fields where the IQCC is playing a role, through the investigations of one of the Principal Investigators. An external expert is invited to give a seminar, together with one of the junior researchers of the IQCC. These complementary views will highlight
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Dr. Sergi Ruiz-Barragan has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC). Dr. Ruiz-Barragan did his PhD at the IQCC/University of Girona on modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control under the supervision of Dr. Lluís Blancafort in 2014. He has postdocotral
Decades of extensive research efforts by biochemists, organic chemists and protein engineers have led to an understanding of the basic mechanisms of essentially all known types of enzymes, but in a formidable number of cases an essential aspect has been overlooked. The occurrence of short-lived chiral intermediates formed by symmetry-breaking of prochiral precursors in enzyme
Well-defined fullerene-PEG conjugates, C60-PEG (1) and two C70-PEG (2 and 3 with the addition sites on ab-[6,6] and cc-[6,6]-junctions), were prepared from their corresponding Prato monoadduct precursors. The resulting highly water-soluble fullerene-PEG conjugates 1–3 were evaluated for their DNA-cleaving activities and reactive oxygen species (ROS) generation under visible light irradiation. Unexpectedly, photoinduced cleavage of DNA by C60-PEG 1 was much higher than that by
The journal Journal of Materials Chemistry C features on its front cover the recently published paper “Photoinduced electron transfer in mechanically interlocked suit[3]ane systems”. Suitanes, a new class of two-component mechanically interlocked systems, have recently been developed. In this work, we report a detailed study of photoinduced electron-transfer processes in suit[3]anes consisting of a 3-fold
This month took place the Summer edition of the IQCC Forum, a quarterly meeting-place where high-quality science is discussed. The IQCC Forum gives the opportunity for PhD and postdoc members of the IQCC to present their work to a select group of critical researchers, enhancing intra-IQCC collaborations and promoting knowledge exchange within the institute. This
The journal Advanced Synthesis & Catalysis features on its front cover the recently published paper “Aromatic C?H Hydroxylation Reactions with Hydrogen Peroxide Catalyzed by Bulky Manganese Complexes”. The oxidation of aromatic substrates to phenols with H2O2 as a benign oxidant remains an ongoing challenge in synthetic chemistry. Herein, we successfully achieved to catalyze aromatic C?H
This week, our former member of IQCC Carles Fuertes was awarded the annual recognition of the best PhD thesis in 2020 (Premi Extraordinari) from the University of Girona. Last year, he defended with success his PhD thesis on “Supramolecular nanocapsules as platforms for molecular recognition and reactivity in confined spaces”, supervised by Xavi Ribas. Now,
This week at the Supr@Stras conference organized by European Journal of Organic Chemistry, Chemistry Europe and Supramolecular Chemistry Group from SCF included a virtual poster session on Twitter (27th July). Ernest Ubasart, PhD student under the supervision of Dr. Xavi Ribas, presented a poster titled “A new supramolecular nanocapsule that enables the bis-regiofunctionalization of C60 and
Last week at the 2021 online edition of the International Symposium on Macrocyclic and Supramolecular Chemistry (ISMSC2021), Ricard López-Coll, PhD student under the supervision of Dr. Agustí Lledó, presented a poster titled “Exploring the Fluxional Behavior of Bioinspired Artifical Receptors with (a)MD Simulations”, and won the poster prize! The poster described the collaborative study between the groups