ESR publications

  1. Piotr Kabaciński (ESR1), Marco Romanelli, Eveliina Ponkkonen (ESR11), Vishal Kumar Jaiswal (ESR2), Thomas Carell, Marco Garavelli, Giulio Cerullo, Irene Conti (2021) Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives. The Journal of Physical Chemistry Letters
  2. Rocío Borrego-Varillas, Artur Nenov, Piotr Kabaciński (ESR1), Irene Conti, Lucia Ganzer, Aurelio Oriana, Vishal Kumar Jaiswal (ESR2), Ines Delfino, Oliver Weingart, Cristian Manzoni, Ivan Rivalta, Marco Garavelli, Giulio Cerullo 




  3. Davide Avagliano, Pedro A. Sánchez-Murcia and Leticia González (2019) DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics. Phys. Chem. Chem. Phys, 21, 8614-8618.
  4. Banyasz, A.; Balanikas, E.; Martinez-Fernandez, L.; Baldacchino, G.; Douki, T.; Improta, R.; Markovitsi, D.,(2019) Radicals generated in tetramolecular guanine quadruplexes by photo-ionization: spectral and dynamical features. J. Phys. Chem. B
  5. Balanikas, E.; Banyasz, A.; Baldacchino, G.; Markovitsi, D. (2019) Populations and Dynamics of Guanine Radicals in DNA strands: Direct versus Indirect Generation. Molecules 24(13), 2347
  6. Davide Avagliano, Pedro A. Sánchez-Murcia and Leticia González, (2019) Directional and regioselective hole injection of spiropyran photoswitches intercalated into A/T-duplex DNA. Phys. Chem. Chem. Phys. DOI: 10.1039/C9CP03398J
  7. Ponzo, I.; Möller, F.M.; Daub, H.; Matscheko, N. (2019) A DNA-Based Biosensor Assay for the Kinetic Characterization of Ion-Dependent Aptamer Folding and Protein Binding. Molecules, 24, 2877 DOI: 10.3390/molecules24162877
  8. Martinez-Fernandez, L.; Cerezo, J.; Asha, H.; Santoro F.; Coriani S.; Improta R., (2019) The Absorption Spectrum of Guanine Based Radicals: a Comparative Computational Analysis, ChemPhotoChem, 3, 846-855. DOI (repository): 10.5281/zenodo.3662154
  9. Castellani M. E.; Anstöter C. S.; Verlet J. R. R. (2019) On the stability of a dipole-bound state in the presence of a molecule, Phys. Chem. Chem. Phys., 21, 24286-24290. DOI (repository): 10.1039/C9CP04942H
  10. Behmand B.; Balanikas, E.; Martinez-Fernandez, L.; Improta R.; Banyasz, A.; Baldacchino, G.; Markovitsi, D. (2020) Potassium Ions Enhance Guanine Radical Generation upon Absorption of Low-Energy Photons by G-Quadruplexes and Modify Their Reactivity, J. Phys. Chem. Lett., 11, 1305-1309. DOI: 10.1021/acs.jpclett.9b03667
  11. Balanikas, E.; Banyasz, A.; Baldacchino, G.; Markovitsi, D., (2020) Guanine Radicals Generated in Telomeric G-Quadruplexes by Direct Absorption of Low-Energy UV Photons: Effect of Potassium Ions, Molecules, 25, 2094. DOI: 10.3390/molecules25092094
  12. Avagliano, D.; Sánchez-Murcia, P. A.; González L., (2020) Spiropyran meets guanine quadruplexes: Isomerization mechanism and DNA binding modes of quinolizidine‐substituted spiropyran probes, Chem. Eur. J. DOI: 10.1002/chem.202001586
  13. Schön A.; Kaminska E.; Schelter F.; Ponkkonen E.; Korytiaková E.; Schiffers. S; Carell T., (2020) Analysis of an active Deformylation Mechanism of 5‐Formyl‐deoxycytidine (fdC) in Stem Cells, Angew. Chem. Int. Ed., 59, 5591-5594. DOI: 10.1002/anie.202000414
  14. Stadlmeier M.; Runtsch L. S.; Streshnev F.; Wühr M.; Carell T., (2020) A Click‐Chemistry‐Based Enrichable Crosslinker for Structural and Protein Interaction Analysis by Mass Spectrometry, ChemBioChem, 21, 103-107. DOI: 10.1002/cbic.201900611

PI publications

  1. Rocío Borrego-Varillas, Danielle C. Teles-Ferreira, Artur Nenov, Irene Conti, Lucia Ganzer, Cristian Manzoni, Marco Garavelli, Ana Maria de Paula and Giulio Cerullo (2018). Observation of the Sub-100 Femtosecond Population of a Dark State in a Thiobase Mediating Intersystem Crossing. J. Am. Chem. Soc., 140, 47, 16087-16093
  2. Nenov A.; Conti I.; Borrego-Varillas R.; Cerullo G.; Garavelli M., (2018) Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level, Chem. Phys., 515, 643-653. DOI (repository):10.1016/j.chemphys.2018.07.025
  3. Irene Conti and Marco Garavelli (2018). Evolution of the Excitonic State of DNA Stacked Thymines: Intrabase ππ* → S0 Decay Paths Account for Ultrafast (Subpicosecond) and Longer (>100 ps) Deactivations. Journal Physical Chemistry Letters, 9, 9.
  4. Francesco Segatta, Itay Gdor, Julien Réhault, Simone Taioli, Noga Friedman, Mordechai Sheves, Ivan Rivalta, Giulio Cerullo and Marco Garavelli (2018). Ultrafast Carotenoid to Retinal Energy Transfer in Xanthorhodopsin Revealed by the Combination of Transient Absorption and Two-Dimensional Electronic Spectroscopy. Chemistry, 24, 46, 12084-12092.
  5. Borrego-Varillas R.; Ganzer L.; Cerullo G.; Manzoni C., Ultraviolet Transient Absorption Spectrometer with Sub-20-fs Time Resolution, Appl. Sci., (2018), 8, 989. DOI: 10.3390/app8060989
  6. El-Tahawy M. M. T.; Nenov A.; Weingart O.; Olivucci M.; Garavelli M., (2018) Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau–Zener Model, J. Phys. Chem. Lett., 9, 3315-3322. DOI (repository): 10.1021/acs.jpclett.8b01062
  7. Rocio Borrego-Varillas, Giulio Cerullo and Dimitra Markovitsi (2019). Exciton Trapping Dynamics in DNA Multimers. J. Phys. Chem. Lett.2019, 10, 7 DOI: 10.1021/acs.jpclett.9b00450
  8. Rocío Borrego-Varillas, Artur Nenov, Lucia Ganzer, Aurelio Oriana, Cristian Manzoni, Alessandra Tolomelli, Ivan Rivalta, Shaul Mukamel, Marco Garavelli, Giulio Cerullo (2019). Two-dimensional UV spectroscopy: a new insight into the structure and dynamics of biomolecules.  10, 9907-9921
  9. Francesco Segatta, Lorenzo Cupellini, Marco Garavelli, Benedetta Mennucci (2019) Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems. Chemical Reviews 119, 16, 9361-9380.
  10. Okamura H.; Crisp A.; Hübner S.; Becker S.; Rovó P.; Carell T.,(2019) Proto‐Urea‐RNA (Wöhler RNA) Containing Unusually Stable Urea Nucleosides, Angew. Chem. Int., 58, 18691-18696. DOI: 10.1002/anie.201911746
  11. Gontcharov J.; Liu L.; Pilles B. M.; Carell T.; Schreier W. J.; Zinth W., (2019) Triplet‐Induced Lesion Formation at CpT and TpC Sites in DNA, Chem. Eur., 25, 15164-15172, DOI: 10.1002/chem.201903573
  12. Thumbs P.; Ensfelder T. T.; Hillmeier M.; Wagner M.; Heiss M.; Scheel C.;  Schön A.; Müller M.; Michalakis S.; Kellner S.; Carell T., (2020) Synthesis of Galactosyl‐Queuosine and Distribution of Hypermodified Q‐Nucleosides in Mouse Tissues, Angew. Chem. Int., DOI: 10.1002/anie.202002295
  13. Raddaoui N.; Croce S.; Geiger F.; Borodavka A.; Möckl L.; Stazzoni S.;  Viverge B.; Bräuchle C.; Frischmuth T.; Engelke H.; Carell T., (2020) Supersensitive Multifluorophore RNA‐FISH for Early Virus Detection and Flow‐FISH by Using Click Chemistry, ChemBioChem, DOI: 10.1002/cbic.202000081
  14. Martinez-Fernandez, L.; Gustavsson T.; Diederichsen U.; Improta R., Excited State Dynamics of 8-Vinyldeoxyguanosine in Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations, Molecules, (2020), 25, 824. DOI: 10.3390/molecules25040824
  15. Green J. A.; Improta R., (2020) Vibrations of the guanine–cytosine pair in chloroform: an anharmonic computational study, Phys. Chem. Chem. Phys.,  22, 5509-5522. DOI: 10.1039/C9CP06373K
  16. Cerezo J.; Aranda D.; Avila Ferrer F. J.; Prampolini G.; Santoro F., (2020) Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method To Compute Electronic Spectra of Flexible Molecules in the Condensed Phase, J. Chem. Theory Comput., 16, 1215-1231. DOI (repository): 10.1021/acs.jctc.9b0100
This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie grant agreement No 765266.
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