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Ferran Feixas starts as new Ramón y Cajal Fellow

On March 1st, 2022, Dr. Ferran Feixas started a new position at the Department of Chemistry, University of Girona, as a Ramón y Cajal (RyC) Fellow. The Ramón y Cajal Fellowship program is co-financed by the European Commission’s European Social Fund through the Spanish Ministry of Science and Innovation. These grants are aimed at promoting the

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Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase

Proteins reshape their function in response to environmental changes through allosteric regulation. Allostery is the process in which two distinct sites within a protein or protein complex are functionally coupled. In allosterically regulated enzymes, the binding of a molecule (allosteric effector) at a distal site alters the thermodynamic and/or kinetic parameters of the catalytic reaction

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Yago García-Rodeja, new María Zambrano fellow at IQCC

Dr. García-Rodeja has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC) as a María Zambrano Fellow. Dr. García-Rodeja received his PhD in Chemistry from Complutense University of Madrid in 2018. During his PhD, he worked with Prof. Israel Fernández on understanding the reactivity of polycyclic aromatic hydrocarbons and related

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Through-Space Interaction of Tetraphenylethylene: What, Where, and How

Tetraphenylethylene (TPE) is the most prominent representative of the aggregation-induced emission (AIE) class of molecules, a family of compounds that has intense fluorescence in the aggregate state. AIEgens have found applications in biosensing, cell imaging or luminescent materials. This work investigates how the emission color of TPE depends on through-space interactions between the phenyl substituents

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Resolving Oxygenation Pathways in Manganese-Catalyzed C(sp3)–H Functionalization via Radical and Cationic Intermediates

The C(sp3)–H bond oxygenation of the cyclopropane-containing mechanistic probes 6-tert-butylspiro[2.5]octane and spiro[2.5]octane with hydrogen peroxide catalyzed by manganese complexes bearing aminopyridine tetradentate ligands has been studied. Mixtures of unrearranged and rearranged oxygenation products (alcohols, ketones, and esters) are obtained, suggesting the involvement of cationic intermediates and the contribution of different pathways following the initial hydrogen

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IQCC Forum: Spring edition 2022

Last Thursday took place the Spring 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

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Stuart Kennington, new Margarita Salas fellow at IQCC

Dr. Kennington has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC) as a Margarita Salas Fellow. Dr. Kennington received his PhD in Chemistry from University of Barcelona in 2020. During his PhD, he worked with Prof. Fèlix Urpí and Prof. Pedro Romea on the development of new, direct and

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“Research in Chemistry: From the laboratory to the computer” workshop at Saló de l’ensenyameny – Espai Ciència 2022

Every year, there is Saló de l’ensenyament- Saló Futura at Fira de Barcelona with a unique opportunity for high-school students and graduate students to get to know first hand the different universities, centres to study their bachelor and master. This time, the IQCC of the UdG did a workshop at Espai Ciència from Fundació Catalana

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Synthesis of Fe(III) and Fe(IV) Cyanide Complexes Using Hypervalent Iodine Reagents

Cyano lambda3-iodanes react with iron(II) and iron(III) complexes as cyano-transfer one-electron oxidants. This approach enables the straightforward synthesis of iron(III) and iron(IV) cyanide complexes, which have been thoroughly characterized by spectroscopic methods, including X-ray diffraction, EPR, Mössbauer and NMR spectroscopies and computational methods. We disclose a new reactivity mode for electrophilic cyano lambda3-iodanes as group

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IQCC Challenges – Live Talks #4: Selective carbene reactions

The IQCC started 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

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