Trematocine-derived antimicrobial peptides from the Antarctic fish Trematomus bernacchaii: potent antibacterial agents against ESKAPE pathogens

Autor: Damiano Squitieri, Federica Massaro, Monica Mollica Graziano, Stefano Borocci, Margherita Cacaci, Maura Di Vito, Fernando Porcelli, Roberto Rosato, Francesca Ceccacci, Maurizio Sanguinetti, Francesco Buonocore, Francesca Bugli

Publikováno v: Frontiers in Microbiology, Vol 15 (2024)

IntroductionThis study investigated the interaction with membrane mimetic systems (LUVs), bacterial membranes, the CD spectra, and the bactericidal activity of two designed trematocine mutants, named Trem-HK and Trem-HSK. Mutants were constructed fro

Externí odkaz: https://doaj.org/article/0e5eae83f95c4afcbd84d0af0983bca0

Concerning the Role of σ-Hole in Non-Covalent Interactions: Insights from the Study of the Complexes of ArBeO with Simple Ligands

Autor: Stefano Borocci, Felice Grandinetti, Nico Sanna

Publikováno v: Molecules, Vol 26, Iss 15, p 4477 (2021)

The structure, stability, and bonding character of some exemplary LAr and L-ArBeO (L = He, Ne, Ar, N2, CO, F2, Cl2, ClF, HF, HCl, NH3) were investigated by MP2 and coupled-cluster calculations, and by symmetry-adapted perturbation theory. The nature

Externí odkaz: https://doaj.org/article/16b433c4462e4efcadf7164582bbacc3

Ionization of 2‐ and 4(5)‐Nitroimidazoles Radiosensitizers: A 'Kinetic Competition' Between NO 2 and NO Losses

Autor: Lorenzo Avaldi, Paola Bolognesi, Jacopo Chiarinelli, Mauro Satta, Antonella Cartoni, Daniele Catone, Anna Rita Casavola, Stefano Borocci, Mattea Carmen Castrovilli

Publikováno v: ChemPhysChem
22 (2021): 2387–2391. doi:10.1002/cphc.202100629
info:cnr-pdr/source/autori:Satta, Mauro; Casavola, Anna Rita; Cartoni, Antonella; Castrovilli, Mattea Carmen; Catone, Daniele; Chiarinelli, Jacopo; Borocci, Stefano; Avaldi, Lorenzo; Bolognesi, Paola/titolo:Ionization of 2-and 4(5)-Nitroimidazoles Radiosensitizers: a "Kinetic Competition" Between NO2 and NO Losses/doi:10.1002%2Fcphc.202100629/rivista:ChemPhysChem (Print)/anno:2021/pagina_da:2387/pagina_a:2391/intervallo_pagine:2387–2391/volume:22

Nitroimidazoles are a class of chemicals with a remarkable broad spectrum of applications from the production of explosives to the use as radiosensitizers in radiotherapy. The understanding of thedynamics of their fragmentation induced by ionizing so

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac6b86475f332b9f19172ddbe9f93fa6
https://doi.org/10.1002/cphc.202100629

The Spike Mutants Website: A Worldwide Used Resource against SARS-CoV-2

Autor: Isabella Romeo, Ingrid Guarnetti Prandi, Emanuela Giombini, Cesare Ernesto Maria Gruber, Daniele Pietrucci, Stefano Borocci, Nabil Abid, Anna Fava, Andrea R. Beccari, Giovanni Chillemi, Carmine Talarico

Publikováno v: International Journal of Molecular Sciences; Volume 23; Issue 21; Pages: 13082

A large number of SARS-CoV-2 mutations in a short period of time has driven scientific research related to vaccines, new drugs, and antibodies to combat the new variants of the virus. Herein, we present a web portal containing the structural informat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44d3e572330df029b53d94f794bd1bc4

Complexes of helium with neutral molecules: Progress toward a quantitative scale of bonding character

Autor: Francesca Nunzi, Felice Grandinetti, Stefano Borocci, Nico Sanna, Paola Antoniotti

Publikováno v: Journal of Computational Chemistry. 41:1000-1011

The complexes of helium with nearly 30 neutral molecules (M) were investigated by various techniques of bonding analysis and symmetry-adapted perturbation theory (SAPT). The main investigated function was the local electron energy density H(r), analy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0c7b6ba86806212c641481ed3fa09c5
https://doi.org/10.1002/jcc.26146