Photochemical C4-Selective C–H Amination of Quinolines via N-Shift of Heteroaryl Azides
Alessandro Dimasi, Arianna Montoli, Giovanni Macetti, Leonardo Lo Presti, Daniele Passarella and Valerio Fasano Check out the latest pubblication from @passalab about a novel photochemical
Bifunctional Photocatalysts: Exploiting Proximity for Enhanced Reaction Performance
Dolcini, L., Lavelli, D., Dal Corso, A. & Pignataro, L.
A Haldane–Anderson Hamiltonian model for hyperthermal hydrogen scattering from a semiconductor surface
Xuexun Lu ; Nils Hertl ; Sara Oregioni ; Riley Preston ; Samuel L. Rudge ; Michael Thoss ; Rocco Martinazzo ; Reinhard J. Maurer
Efficient Protein–Ligand Binding Free Energy Estimation with Coarse-Grained Funnel Metadynamics
Grazzi, A., Brown, C. M., Sironi, M., Marrink, S. J., & Pieraccini, S. Journal of Chemical Theory and Computation, 2026 – https://doi.org/10.1021/acs.jctc.5c01785 Despite considerable advances
Chemisorption vs. Physisorption in Perfluorinated Zn(II) Porphyrin–SnO2 Hybrids for Acetone Chemoresistive Detection
M. Minnucci, S. Oregioni, E. Pargoletti, G. Di Carlo, F. Tessore, G. Chiarello, R. Martinazzo, M. Trioni, G. Cappelletti Molecules. 2025 Improving gas-sensing performance through
Late-Stage Peptide Modification with Salicylaldehyde Tag Enhances Affinity for Nuclear Factor-kappa B Essential Modulator
Mattia Mason, Kaliroi Peqini, Federico Uggeri, Diego Rondelli, Sara Sattin, Luca Pignataro, Sara Pellegrino, Laura Belvisi, Edoardo Scarpa, Raffaella Bucci and Alberto Dal Corso RSC
Increasing the Chemical Space of L-SIGN Specific Glycomimetics
G. Cavazzoli, C. Delaunay, S. Pollastri, A. Panzeri, S. Sattin, M.Thépaut, L. Belvisi, F. Fieschi, A. Bernardi J. Med. Chem. (2025) Selective ligands for the
Chasing Crystal Embryos of Benzoic Acid with Classical Molecular Dynamics
M. Vacchini, L. Sironi, G. Macetti, L. Lo Presti Cryst. Growth Des. (2025) Measuring the minimum size a molecular aggregate must reach to form an
Cannabizetol, a Novel Cannabinoid: Chemical Synthesis, Anti-inflammatory Activity and Extraction from Cannabis sativa L
L. Pozzi, A. Gotti, M. Fumagalli, A. Citarella, V. Fasano, G. Paladino, U. Ciriello, S. Princiotto, F. Annunziata, G. Martinelli, E. Sangiovanni, A. Pinto, M.
Rotational Motion in Bispidines: A Conformational Study
Francesco Migliano, Luca Pozzi, Andrea Citarella, Giovanni Macetti, Leonardo Lo Presti, Daniele Passarella, Valerio Fasano
Expanding the Chemical Space of Sugar Frameworks by Quaternization of the Anomeric Carbon Atom
S. Mazzotta, J. Gori, G. Cavazzoli, S. Sattin, G. Macetti, A. Bernardi
Eur. J. Org. Chem. 2025, e202500599
An extended semiclassical initial value representation approach to IR spectroscopy
C. Lanzi, C. Aieta, M. Ceotto, R. Conte
J. Chem. Phys. 163, 024122 (2025)
Design, synthesis and characterization of aryl bis-guanyl hydrazones as RNA binders of C9orf72 G4C2 extended repeats
Alice Maiocchi, Martina Pedrini, Veronica Ferrari, Agata Sofia Assunçao Carreira, Vincenzo Maria D’Amore, Federica Santoro, Anna Di Porzio, Maddalena Bosetti, Riccardo Cristofani, Alessandra Silvani, Diego
Organophotoredox-Catalyzed stereoselective synthesis of bicyclo[3.2.0]heptanes via [2+2] photocycloaddition
Tommaso Benettin, Simonetta Resta, Alessandra Forni, Laura Raimondi, Alessandra Puglisi and Sergio Rossi Molecules 2025, 30(10), 2090 A new work from Benaglia’s group on photocatalysis
Quantum dynamics through a handful of semiclassical trajectories
Chiara Aieta, Marco Cazzaniga, Davide Moscato, Cecilia Lanzi, Lorenzo Bocchi, Matteo Michele Costanza, Michele Ceotto, Riccardo Conte Rend. Fis. Acc. Lincei (2025) An accurate description
A Biocompatible Cinchonine-Based Catalyst for the CO2 Valorization into Oxazolidin-2-ones Under Ambient Conditions
L. Invernizzi, C. Damiano, E. Gallo Chem. Eur. J. 2025, 0, e202500473 A metal-free, biocompatible catalyst for the cycloaddition of CO2 to N-alkyl aziridines was easily obtained
Synthesis of α-Arylglycosides by Ni-Photoredox Arylation of Sugars with an Organic Photocatalyst
G. Cavazzoli, I. Gamberoni, S. Mazzotta, A. Bossi, M. Penconi, A. Bernardi, L. Pignataro ChemCatChem 2025, e202500042 Herein we report a Ni-photoredox catalytic methodology for
Design, synthesis and in vitro validation of bivalent binders of SARS-CoV-2 spike protein: Obeticholic, betulinic and glycyrrhetinic acids as building blocks
Martina Pedrini, Luca Pozzi, Francesca Sacchi, Andrea Citarella, Valerio Fasano, Pierfausto Seneci, Stefano Pieraccini, Lorenzo Ruberto, Helena Perez Peña, Alfredo Garzino-Demo, Adriana Vitiello, Leonardo Sernicola,
Revisiting the Reduction of Vinpocetine
Simone Borsoi, Luca Pozzi, Valerio Fasano, Andrea Citarella, Giovanni Macetti, Leonardo Lo Presti, Giuseppe Paladino, Umberto Ciriello, Daniele Passarella ChemistrySelect 2025, 10, e202406175 Hydrogenation of the semisynthetic vinca alkaloid vinpocetine produces two epimers that have
Bifunctional Photocatalysts Display Proximity-Enhanced Catalytic Activity in Metallaphotoredox C–O Coupling
Luigi Dolcini, Andrea Solida, Daniele Lavelli, Andrés Mauricio Hidalgo-Núñez, Tommaso Gandini, Matthieu Fornara, Alessandro Colella, Alberto Bossi, Marta Penconi, Daniele Fiorito, Cesare Gennari, Alberto Dal
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems
Riccardo Conte, Giacomo Mandelli, Giacomo Botti, Davide Moscato, Cecilia Lanzi, Marco Cazzaniga, Chiara Aieta and Michele Ceotto Chem. Sci., 2025, 16, 20 In this perspective
Achieving High Affinity for a Bacterial Lectin with Reversible Covalent Ligands
Giulia Antonini, Anna Bernardi, Emile Gillon, Alberto Dal Corso, Monica Civera, Laura Belvisi, Annabelle Varrot and Sarah Mazzotta J. Med. Chem. 2024, 67, 19546−19560 High-affinity
Synthesis of α-fluorocinnamate derivatives as novel cathepsin S inhibitors with in vitro antiproliferative activity against pancreatic cancer cells
Andrea Citarella, Serena Petrella, Davide Moi, Alessandro Dimasi, Tommaso Braga, Lorenzo Ruberto, Stefano Pieraccini, Maurizio Sironi, Nicola Micale, Tanja Schirmeister, Giovanna Damia, Valerio Fasano, Alessandra Silvani, Clelia Giannini, Daniele Passarella
Bioorganic & Medicinal Chemistry, 117987, 2024
Peptide Nucleic Acids in Saturation Transfer Difference Nuclear Magnetic Resonance Experiments: A Simple and Valuable Tool for Studying HuR–Small Molecule Complexes
rene Gado, Martina Garbagnoli, Francesca Alessandra Ambrosio, Roberta Listro, Michela Parafioriti, Silvia Cauteruccio, Daniela Rossi, Pasquale Linciano, Giosuè Costa, Stefano Alcaro, Francesca Vasile, Simona Collina
ACS Omega, ASAP
Cu-Catalyzed Asymmetric Synthesis of γ-Amino Alcohols Featuring Tertiary Carbon Stereocenters
Alejandro Delgado, Paolo Orlando, Matteo Lanzi, Jordi Benet-Buchholz, Daniele Passarella, Arjan W. Kleij
Org. Lett. 2024, ASAP
Non-Reductive CO2 Valorization into Oxazolidinones via Cycloaddition to Aziridines: A Personal Insight
Caterina Damiano, Matteo Cavalleri, Lucia Invernizzi, Emma Gallo
Eur. J. Org. Chem. 2024, e202400616.
Unleashing the Power of Domino Reactions on Carbohydrates: State of the Art
Giulia Antonini, Laura Petrosilli, Ilaria Giussani, Maria Gessica Ciulla, Sarah Mazzotta, Giuseppe D’Orazio
Eur. J. Org. Chem. 2024, e202400511.
Minor Cannabinoids as Inhibitors of Skin Inflammation: Chemical Synthesis and Biological Evaluation
Alice Maiocchi, Marco Fumagalli, Manuel Vismara, Asja Blanco, Stefano Piazza, Giulia Martinelli, Valerio Fasano, Mario Dell’Agli, Daniele Passarella
J. Nat. Prod. 2024, ASAP
A time averaged semiclassical approach to IR spectroscopy
C. Lanzi, C. Aieta, M. Ceotto, R. Conte
J. Chem. Phys. 2024, 160, 214107
A Practical, Scalable Synthesis of 1,18-Octadecanedioic acid-Paclitaxel (ODDA-PTX)
V. Rositano, A. Gambini, P. Allegrini, A. Bernardi, L. Senaldi
Eur. J. Org. Chem. 2024, 27, e202301211
First total synthesis of caerulomycin K: a case study on selective, multiple C–H functionalizations of pyridines
A. Di Masi, M. Failla, A. Montoli, A. Citarella, P. Ronchi, D. Passarella, V. Fasano
RSC Adv. 2024, 14, 5542-5546
Synthesis of Noncoded Amino Acids Bearing a Salicylaldehyde Tag for the Design of Reversible-Covalent Peptides
M. Mason, B. Nava, L. Belvisi, L. Pignataro, A. Dal Corso
EurJOC 2024, e202400229 (Accepted article)
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
D. Moscato, G. Mandelli, M. Bondanza, F. Lipparini, R. Conte, B. Mennucci, M. Ceotto.
J. Am. Chem. Soc. 2024, 146, 12, 8179–8188