Zobrazeno 1 - 10
of 237
pro vyhledávání: '"Roberto, Improta"'
Autor:
Roberto Improta, Thierry Douki
Induction of DNA damage by sunlight is a major deleterious event in living organisms. Recent developments have dramatically improved our understanding of the photochemical processes involved at the sub-picosecond time scale and along with next genera
Autor:
Liat Katrivas, Anna Makarovsky, Benjamin Kempinski, Antonio Randazzo, Roberto Improta, Dvir Rotem, Danny Porath, Alexander B. Kotlyar
Publikováno v:
Nanomaterials, Vol 14, Iss 8, p 663 (2024)
Metal-mediated base pairing of DNA has been a topic of extensive research spanning over more than four decades. Precise positioning of a single metal ion by predetermining the DNA sequence, as well as improved conductivity offered by the ions, make t
Externí odkaz:
https://doaj.org/article/cbc455cfd5fe43e8821edc1e8ce8b2c1
Autor:
Roberto Improta
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 16, p 12614 (2023)
I-motifs are non-canonical DNA structures formed by intercalated hemiprotonated (CH·C)+ pairs, i.e., formed by a cytosine (C) and a protonated cytosine (CH+), which are currently drawing great attention due to their biological relevance and promisin
Externí odkaz:
https://doaj.org/article/ff45767d237848a8858054379a9f32df
Publikováno v:
Molecules, Vol 28, Iss 5, p 2286 (2023)
In this contribution, we report a computational study of the vibrational Resonance Raman (vRR) spectra of cytosine in water, on the grounds of potential energy surfaces (PES) computed by time-dependent density functional theory (TD-DFT) and CAM-B3LYP
Externí odkaz:
https://doaj.org/article/f9168938125347dd865250dbe5b7adf5
Publikováno v:
Chirality. 35:298-310
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c4cf397932d8fca6da2879c76fa826f7
https://doi.org/10.1002/chir.23540
https://doi.org/10.1002/chir.23540
Autor:
Haritha Asha, James A. Green, Luciana Esposito, Lara Martinez-Fernandez, Fabrizio Santoro, Roberto Improta
Publikováno v:
The Journal of Physical Chemistry B. 126:10608-10621
Here we refine and assess two computational procedures aimed to include the effect of thermal fluctuations on the electronic spectra and the ultrafast excited state dynamics of multichromophore systems, focusing on DNA duplexes. Our approach is based
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96dd5d2193b7b9bbf2624e92643b31f8
https://doi.org/10.1021/acs.jpcb.2c05688
https://doi.org/10.1021/acs.jpcb.2c05688
Publikováno v:
Molecules, Vol 26, Iss 16, p 4789 (2021)
We here investigate the Electronic Circular Dichroism (ECD) Spectra of two representative Guanine-rich sequences folded in a Quadruple helix (GQ), by using a recently developed fragment diabatisation based excitonic model (FrDEx). FrDEx can include c
Externí odkaz:
https://doaj.org/article/297bec79c29f4484b75fb937fc40838b
Publikováno v:
Accounts of Chemical Research. 55:2077-2087
The interaction between light and multichromophoric assemblies (MCAs) is the primary event of many fundamental processes, from photosynthesis to organic photovoltaics, and it triggers dynamical processes that share remarkable similarities at the mole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eccd6eef7b03afa1d956b6d343c92f3a
https://doi.org/10.1021/acs.accounts.2c00256
https://doi.org/10.1021/acs.accounts.2c00256
Publikováno v:
Molecules, Vol 26, Iss 6, p 1743 (2021)
We have recently proposed a protocol for Quantum Dynamics (QD) calculations, which is based on a parameterisation of Linear Vibronic Coupling (LVC) Hamiltonians with Time Dependent (TD) Density Functional Theory (TD-DFT), and exploits the latest deve
Externí odkaz:
https://doaj.org/article/b04b78c982d44a59a58cf12de8e308b7
Publikováno v:
Molecules, Vol 25, Iss 4, p 824 (2020)
The fluorescent base guanine analog, 8-vinyl-deoxyguanosine (8vdG), is studied in solution using a combination of optical spectroscopies, notably femtosecond fluorescence upconversion and quantum chemical calculations, based on time-dependent density
Externí odkaz:
https://doaj.org/article/e05318dce90b4ca8a81fac7b7ff48d9c