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Computational mechanistic insights on the NO oxidation reaction catalyzed by non-heme biomimetic Cr-N-tetramethylated cyclam complexes 1-gen-2019 Marino, T.; Fortino, M. G.; Russo, N.; Toscano, M.; Alberto, M. E.
The effects of the metal ion substitution into the active site of metalloenzymes: A theoretical insight on some selected cases 1-gen-2020 Prejano', Mario; Alberto, Marta Erminia; Russo, Nino; Toscano, Marirosa; Marino, Tiziana
Theoretical exploration of the photophysical properties of two-component RuII–porphyrin dyes as promising assemblies for a combined antitumor effect 1-gen-2020 Alberto, Marta Erminia; Mazzone, Gloria; Regina, Claudia; Russo, Nino; Sicilia, Emilia
Breaking the barrier: An osmium photosensitizer with unprecedented hypoxic phototoxicity for real world photodynamic therapy 1-gen-2020 Roque, J. A.; Barrett, P. C.; Cole, H. D.; Lifshits, L. M.; Shi, G.; Monro, S.; Von Dohlen, D.; Kim, S.; Russo, N.; Deep, G.; Cameron, C. G.; Alberto, M. E.; Mcfarland, S. A.
The Hydration of Aromatic Nitriles Catalyzed by Mn-OH Complexes: a Rationalization from Quantum Chemical Investigations 1-gen-2020 Prejano', Mario; Alberto, Marta Erminia; Russo, Nino; Marino, Tiziana
Os(II) Oligothienyl Complexes as a Hypoxia-Active Photosensitizer Class for Photodynamic Therapy 1-gen-2020 Roque, J. A.; Barrett, P. C.; Cole, H. D.; Lifshits, L. M.; Bradner, E.; Shi, G.; Von Dohlen, D.; Kim, S.; Russo, N.; Deep, G.; Cameron, C. G.; Alberto, M. E.; Mcfarland, S. A.
Iodine substituted phosphorus corrole complexes as possible photosensitizers in photodynamic therapy: Insights from theory 1-gen-2020 Alberto, Marta Erminia; De Simone, B. C.; Liuzzi, S.; Marino, T.; Russo, N.; Toscano, M.
The contribution of density functional theory to the atomistic knowledge of electrochromic processes 1-gen-2021 De Simone, B. C.; Alberto, M. E.; Marino, T.; Russo, N.; Toscano, M.
Photophysical properties of methyl ketone based multi-responsive electrochromic materials: A theoretical investigation 1-gen-2021 Alberto, M. E.; De Simone, B. C.; Marino, T.; Russo, N.; Toscano, M.
Photophysical properties of heavy atom containing tetrasulfonyl phthalocyanines as possible photosensitizers in photodynamic therapy 1-gen-2021 Clara De Simone, Bruna; Alberto, Marta Erminia; Russo, Nino; Toscano, Marirosa
Intraligand Excited States Turn a Ruthenium Oligothiophene Complex into a Light-Triggered Ubertoxin with Anticancer Effects in Extreme Hypoxia 1-gen-2022 Roque III, John A.; Cole, Houston D.; Barrett, Patrick C.; Lifshits, Liubov M.; Hodges, Rachel O.; Kim, Susy; Deep, Gagan; Francés-Monerris, Antonio; Alberto, Marta Erminia; Cameron, Colin G.; Mcfarland, Sherri A.
A Multiscale Free Energy Method Reveals an Unprecedented Photoactivation of a Bimetallic Os(II)-Pt(II) Dual Anticancer Agent 1-gen-2022 Alberto, Marta Erminia; Francés-Monerris, Antonio
Chapter 2: Computational Enzymology: A Challenge for Multiscale Approaches 1-gen-2022 Marino, T.; Alberto, M. E.; Prejano, M.; Russo, N.; Toscano, M.
Chalcogen Effects in the Photophysical Properties of Dimethylamino-1,8-naphthalimide Dyes Revealed by DFT Investigation 1-gen-2022 Alberto, Marta Erminia; DE SIMONE, Bruna Clara; Marino, Tiziana; Toscano, Marirosa; Russo, Nino
Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands 1-gen-2022 Alberto, Marta Erminia; Majeed, Sattar R.; Amin, Mina A.; Attaby, Fawzy A.; Soliman, Ahmed A.
Sulphur- and Selenium-for-Oxygen Replacement as a Strategy to Obtain Dual Type I/Type II Photosensitizers for Photodynamic Therapy 1-gen-2023 Prejano', Mario; Alberto, Marta Erminia; DE SIMONE, Bruna Clara; Marino, Tiziana; Toscano, Marirosa; Russo, Nino
Red-Light-Photosensitized NO Release and Its Monitoring in Cancer Cells with Biodegradable Polymeric Nanoparticles 1-gen-2023 Fraix, Aurore; Parisi, Cristina; Longobardi, Giuseppe; Conte, Claudia; Pastore, Arianna; Stornaiuolo, Mariano; Graziano Adriana, C. E.; Alberto, Marta Erminia; Francés-Monerris, Antonio; Quaglia, Fabiana; Sortino, Salvatore
Heavy atom effect through chalcogen substitution in Red Nile dye: a theoretical investigation 1-gen-2023 Alberto, Marta E.; Prejanò, Mario; Marino, Tiziana; De Simone, Bruna C.; Toscano, Marirosa; Russo, Nino
Ru(II) Phenanthroline-Based Oligothienyl Complexes as Phototherapy Agents 1-gen-2023 Cole, Houston D.; Vali, Abbas; Roque, John A.; Shi, Ge; Kaur, Gurleen; Hodges, Rachel O.; Francés-Monerris, Antonio; Alberto, Marta E.; Cameron, Colin G.; Mcfarland, Sherri A.
Comprehensive Experimental and Computational Analysis of the Structural and HSA Binding Properties of Newly Synthesized Coumarin-Trimethoxybenzohydrazide Derivative 1-gen-2024 Antonijević, Marko R.; Avdović, Edina H.; Simijonović, Dušica; Milanović, Žiko; Klisurić, Olivera R.; Alberto, Marta Erminia; Russo, Nino; Vojinović, Radiša; Marković, Zoran S.
Mostrati risultati da 41 a 60 di 63
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