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
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Category: Miquel Solà news
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
Dr. Sergio Posada-Pérez has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC) with Juan de la Cierva – Formación and Marie Sklodowska-Curie IF fellowships, Dr. Posada-Pérez did his PhD at the University of Barcelona on heterogeneous catalysis of green chemistry reactions on molybdenum carbide based catalysts under the supervision of
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
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
Density functional theory calculations unveil the mechanism of the original example of a base-metal-catalyzed synthesis of amides from alcohols and amines, generating H2 as a subproduct. Instead of a convoluted mechanism with the implication of dissociation of some ligand of the manganese catalyst, our DFT calculations describe a facile protocol, where the catalyst only produces
Next Friday (26th of March 11.00h, virtual) will be the defense of the doctoral thesis of Jesús Antonio Luque Urrutia, titled “Computational Studies Oriented Towards the Development of a Greener Chemistry”, and supervised by Albert Poater and Miquel Solà from IQCC. If you want to follow the online defense, please send an email to the
Last week at the 2021 #RSCPoster Twitter Conference, Sílvia Escayola, PhD student under the supervision of Dr. Miquel Solà, Dr. Albert Poater and Dr. Eduard Matito, presented a poster titled “Guidelines for Tuning the Excited State Hückel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds”, and won the runner up prize for #RSCPhys (11th March). Congratulations
Aromaticity in macrocycles has been less studied than aromaticity in small polycyclic aromatic hydrocarbons (PAHs). In the work carried out by Dr. Álvaro Muñoz Castro from the Grupo de Química Inorgánica y Materiales Moleculares of the Universidad Autónoma de Chile and by Sílvia Escayola, Dr. Albert Poater, and Prof. Miquel Solà of the Institute of