Dimolybdenum (II,II) paddlewheel complexes bearing non-steroidal anti-inflammatory drug ligands: Insights into the chemico-physical profile and first biological assessment

Authors: Chiaverini, Lorenzo ^a, Notarstefano, Valentina ^{b, ⁎}, Tolbatov, Iogann ^{c, d, ⁎}, Umari, Paolo ^c, Giorgini, Elisabetta ^b, Ciccone, Lidia ^a, Di Leo, Riccardo ^a, Trincavelli, Letizia ^a, Giacomelli, Chiara ^a, Marchetti, Laura ^a, Marzo, Tiziano ^{a, ⁎}, La Mendola, Diego ^a, Marrone, Alessandro ^e

Source: In Journal of Inorganic Biochemistry November 2024 260

The binding of diruthenium (II,III) and dirhodium (II,II) paddlewheel complexes at DNA/RNA nucleobases: Computational evidences of an appreciable selectivity toward the AU base pairs

Authors: Tolbatov, Iogann, Umari, Paolo, Marrone, Alessandro

Source: In Journal of Molecular Graphics and Modelling September 2024 131

The binding of auranofin at DNA/RNA nucleobases: A DFT assessment

Authors: Tolbatov, Iogann, Umari, Paolo, Marzo, Tiziano, Chiaverini, Lorenzo, La Mendola, Diego, Marrone, Alessandro

Source: In Chemical Physics Letters May 2024 842

Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW

Authors: Elliott, Joshua, Colonna, Nicola, Marsili, Margherita, Marzari, Nicola, Umari, Paolo

Source: J. Chem. Theory Comput. 2019, 15, 6, 3710-3720

Subject Terms: Condensed Matter - Materials Science, Physics - Computational Physics

Access URL: http://arxiv.org/abs/1912.13350

Ileal Conduit Versus Orthotopic Neobladder Urinary Diversion in Robot-assisted Radical Cystectomy: Results from a Multi-institutional Series

Authors: Tappero, Stefano, Dell'Oglio, Paolo, Cerruto, Maria Angela, Sanchez Salas, Rafael, Buisan Rueda, Oscar, Simone, Giuseppe, Hendricksen, Kees, Soria, Francesco, Umari, Paolo, Antonelli, Alessandro, Briganti, Alberto, Montorsi, Francesco, de Cobelli, Ottavio, Terrone, Carlo, Galfano, Antonio, Moschini, Marco, Di Trapani, Ettore

Source: In European Urology Open Science April 2023 50:47-56

SIMPLE code: optical properties with optimal basis functions

Authors: Prandini, Gianluca, Galante, Mario, Marzari, Nicola, Umari, Paolo

Source: Computer Physics Communications 240, 106-119 (2019)

Subject Terms: Physics - Computational Physics, Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1901.03175

Diruthenium Paddlewheel Complexes Attacking Proteins: Axial versus Equatorial Coordination.

Authors: Tolbatov, Iogann¹ (AUTHOR) paolo.umari@unipd.it, Umari, Paolo¹ (AUTHOR), Marrone, Alessandro² (AUTHOR) amarrone@unich.it

Source: Biomolecules (2218-273X). May2024, Vol. 14 Issue 5, p530. 12p.

Subject Terms: *METAL scaffolding, *CHEMICAL reactions, *METALATION, *PARASITIC diseases, *DRUG design, *SUBSTITUTION reactions

Mechanism of Action of Antitumor Au(I) N-Heterocyclic Carbene Complexes: A Computational Insight on the Targeting of TrxR Selenocysteine.

Authors: Tolbatov, Iogann¹ (AUTHOR) paolo.umari@unipd.it, Umari, Paolo¹ (AUTHOR), Marrone, Alessandro² (AUTHOR) amarrone@unich.it

Source: International Journal of Molecular Sciences. Mar2024, Vol. 25 Issue 5, p2625. 10p.

Subject Terms: *GIBBS' energy diagram, *SELENOCYSTEINE, *CARBENES, *DENSITY functional theory, *THIOREDOXIN, *ANTINEOPLASTIC agents

The Intraoperative Complications Assessment and Reporting with Universal Standards (ICARUS) Global Surgical Collaboration Project: Development of Criteria for Reporting Adverse Events During Surgical Procedures and Evaluating Their Impact on the Postoperative Course

Authors: Cacciamani, Giovanni E., Sholklapper, Tamir, Dell'Oglio, Paolo, Rocco, Bernardo, Annino, Filippo, Antonelli, Alessandro, Amenta, Michele, Borghesi, Marco, Bove, Pierluigi, Bozzini, Giorgio, Cafarelli, Angelo, Celia, Antonio, Leonardo, Costantino, Ceruti, Carlo, Cindolo, Luca, Crivellaro, Simone, Dalpiaz, Orietta, Falabella, Roberto, Falsaperla, Mario, Galfano, Antonio, Gallo, Farizio, Greco, Francesco, Minervini, Andrea, Parma, Paolo, Chiara Sighinolfi, Maria, Pastore, Antonio L., Pini, Giovannalberto, Porreca, Angelo, Pucci, Luigi, Sciorio, Carmine, Schiavina, Riccardo, Umari, Paolo, Varca, Virginia, Veneziano, Domenico, Verze, Paolo, Volpe, Alessandro, Zaramella, Stefano, Lebastchi, Amir, Abreu, Andre, Mitropoulos, Dionysios, Shekhar Biyani, Chandra, Sotelo, Rene, Desai, Mihir, Artibani, Walter, Gill, Inderbir

Source: In European Urology Focus November 2022 8(6):1847-1858

Excited-State Forces with GW-BSE Through the Hellmann–Feynman Theorem.

Authors: Alrahamneh, Marah Jamil, Tolbatov, Iogann, Umari, Paolo

Source: International Journal of Molecular Sciences; Mar2025, Vol. 26 Issue 5, p2306, 10p

Subject Terms: FINITE differences, DENSITY functional theory, QUANTUM chemistry, EXCITED states, NUCLEAR forces (Physics)

Large scale GW-BSE calculations with N3 scaling: excitonic effects in dye sensitised solar cells

Authors: Marsili, Margherita, Mosconi, Edoardo, De Angelis, Filippo, Umari, Paolo

Source: Phys. Rev. B 95, 075415 (2017)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1603.05427

Gauge invariance of thermal transport coefficients

Authors: Ercole, Loris, Marcolongo, Aris, Umari, Paolo, Baroni, Stefano

Source: J. Low. Temp. Phys. (2016) 185: 79

Subject Terms: Condensed Matter - Statistical Mechanics

Access URL: http://arxiv.org/abs/1601.00158

An Observational Cohort Study Investigating the Incidence Rate of Infectious Complications After Routine Office Nephrostomy Tube Replacement Without Using Antimicrobial Prophylaxis

Authors: Rizzo, Michele, Ongaro, Luca, Claps, Francesco, Cai, Tommaso, Umari, Paolo, Bucci, Stefano, Trombetta, Carlo, Liguori, Giovanni

Source: In Urology January 2021 147:27-32

The role of salvage cystectomy after prior trimodality therapy.

Authors: Pyrgidis, Nikolaos¹ (AUTHOR), Schulz, Gerald Bastian² (AUTHOR), Schilipoti, Pietro³ (AUTHOR), Pellegrino, Francesco³ (AUTHOR), Casuscelli, Jozefina⁴ (AUTHOR), Tzelves, Lazaros⁵ (AUTHOR), Ciavarella, Davide⁶ (AUTHOR), Mir, Maria del Carmen⁷ (AUTHOR), Klatte, Tobias⁸ (AUTHOR), Belinchon, Ramos⁹ (AUTHOR), Velasco, Jorge Caño⁹ (AUTHOR), Fujii, Yasuhisa¹⁰ (AUTHOR), Tanaka, Hajime¹¹ (AUTHOR), Yoshida, Soichiro¹² (AUTHOR), Umari, Paolo¹³ (AUTHOR), Teoh, Jeremy Y.C.¹⁴ (AUTHOR), Ming, Chris Wong Ho¹⁵ (AUTHOR), Simone, Giuseppe¹⁶ (AUTHOR), Mastroianni, Riccardo¹⁷ (AUTHOR), Moschini, Marco¹⁸ (AUTHOR)

Source: Journal of Clinical Oncology. 2/10/2025 Supplement5, Vol. 43, p781-781. 242p.

Deterministic and Faster GW Calculations with a Reduced Number of Valence States: O(N² ln N) Scaling in the Plane-Waves Formalism.

Authors: Cigagna, Simone¹ (AUTHOR), Menegatti, Giacomo¹ (AUTHOR), Umari, Paolo^1,2 (AUTHOR) paolo.umari@unipd.it

Source: Journal of Chemical Theory & Computation. 12/10/2024, Vol. 20 Issue 23, p10625-10632. 8p.

Impact of COVID-19 on Clinical and Academic Urological Practice: A Survey from European Association of Urology Section of Uro-technology

Authors: Heinze, Alexander, Umari, Paolo, Basulto-Martínez, Mario, Suárez-Ibarrola, Rodrigo, Liatsikos, Evangelos, Rassweiler, Jens, Guven, Selcuk, Gözen, Ali S.

Source: In European Urology Open Science October 2020 21:22-28

Microscopic theory and quantum simulation of atomic heat transport

Authors: Marcolongo, Aris, Umari, Paolo, Baroni, Stefano

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1503.04188

Raman measurement of irreversible shear in SiO$_2$ glass

Authors: Shcheblanov, Nikita S., Mantisi, Boris, Umari, Paolo, Tanguy, Anne

Subject Terms: Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Materials Science, Condensed Matter - Soft Condensed Matter

Access URL: http://arxiv.org/abs/1502.00898

First-principles investigation of organic photovoltaic materials C$_{60}$, C$_{70}$, [C$_{60}$]PCBM, and bis-[C$_{60}$]PCBM using a many-body $G_0W_0$-Lanczos approach

Authors: Qian, Xiaofeng, Umari, Paolo, Marzari, Nicola

Source: Physical Review B 91, 245105 (2015)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1411.2149

Relativistic Solar Cells

Authors: Umari, Paolo, Mosconi, Edoardo, De Angelis, Filippo

Source: Scientific Reports 4, 4467 (2014)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1309.4895