It was just published a new paper in ACS Sustainable Chemistry and Engineering in collaboration with Pastre’s group. In this paper it was synthesised a new ionic liquid that may increase lignocellulosic biomass valorization, which is a renewable, low-cost feedstock. Experimental and computational chemistry were used to highlight the interaction of the ionic liquid with…
Category: Call for applications
We have just published a new paper in Chem Comm in collaboration with The O’Hagan Lab In this paper we have explored the triaxial preference of 1,3,5-trifluorocyclohexanes both computationally and experimentally. Interestingly prototype 1,3,5-trifluorocyclohexane preferes all fluorine in gauche conformer in the gas phase and in nonpolar solvents due to electrostatic repulsions, but it interconverts…
We have just published a new collaborative paper in Chem. Comm. entitled “Janus faced fluorocyclohexanes for supramolecular assembly: synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C–F bonds to impart polarity”. This work was done in collaboration with the O’Hagan Lab from the University of St Andrews: https://davidohagangroup.wp.st-andrews.ac.uk/…
We have just published a new collaborative paper in the Organic Chemistry Frontiers entitled “A Visible Light-Mediated Three-Component Strategy Based on the Ring-Opening of Cyclic Ethers with Aryldiazoacetates and Nucleophiles”. This work was done in collaboration with the Jurberg group from the University of Campinas: https://igordiasjurberg.wixsite.com/websiteWe did a theoretical study of the reaction mechanism to understand…
We have just published a new paper in Chemistry A European Journal in collaboration with Thomas Wirth from Cardiff University: https://blogs.cardiff.ac.uk/wirth/thomas-wirth/ The paper uses experimental and theoretical approaches to understand the poor selectivities of chiral ligands associated with iodine(III) reagents. Check it at CEJ:https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202103623
We have just published a new paper in the Journal of Chemical Theory and Computation entitled “On the Unexpected Accuracy of the M06L Functional in the Calculation of 1JFC Spin–Spin Coupling Constants”. This work was done in collaboration with professor Stephan Sauer from the University of Copenhagen: https://sites.google.com/site/spasauer/ Check it at JCTC: https://pubs.acs.org/doi/abs/10.1021/acs.jctc.1c00287
João Paulo has published a new paper in the Journal of Biomolecular Structure and Dynamics: This is his second paper in our group, involving homology modeling, molecular docking and dynamics, QSAR, among other theoretical methods. The paper suggests new fluorinated candidates to treat Alzheimer’s disease. Check it at: https://doi.org/10.1080/07391102.2021.1989039
Congratulations Vinicius for our new paper in Physical Chemistry Chemical Physics. We revisited fluorine’s gauche effect by comparing its conformational behaviour with several analogue compounds. After checking for all possible effects that rule the gauche effect, our results indicate that hyperonjugative effects and not electrostatic of steric effects govern the gauche preference in 1,2-difluoroethane. Thus,…
The ESFC is a triennial academic conference on Fluorine chemistry founded in 1965. The conference is held in Europe, but traditionally it brings together the fluorine community from all over the world. The scientific programme of the Symposium covers all the areas of fluorine chemistry relevant to fundamental and applied research. The 19th ESFC will…
FAPESP has recently approved Bruno’s undergraduate research scholarship. In his work, Bruno will be investigating the behavior of a curious class of compounds called hypofluorites. In our daily lives, we commonly come across a “cousin” of Bruno’s research interest: hypochlorites. Even though they are indeed similar, hypofluorites are far more unstable and have an intriguing…