Zobrazeno 1 - 10
of 167
pro vyhledávání: '"Stefano Borocci and"'
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
Publikováno v:
Molecules, Vol 27, Iss 14, p 4592 (2022)
The structure, stability, and bonding situation of some exemplary noble gas-silicon cations were investigated at the MP2/aVTZ level of theory. The explored species include the mono-coordinated NgSiX3+ (Ng = He-Rn; X = H, F, Cl) and NgSiF22+ (Ng = He-
Externí odkaz:
https://doaj.org/article/1fba760ccbba47198b5bc60a5a032f7f
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
Publikováno v:
Molecules, Vol 26, Iss 5, p 1305 (2021)
The structure, stability, and bonding character of fifteen (Ng-H-Ng)+ and (Ng-H-Ng’)+ (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactio
Externí odkaz:
https://doaj.org/article/7a2151ab4d434a1ca60f162a2d8f7b3b
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
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
https://doi.org/10.1002/cphc.202100629
Autor:
Oscar Solis, Andrea R. Beccari, Daniela Iaconis, Carmine Talarico, Camilo A. Ruiz-Bedoya, Jerome C. Nwachukwu, Annamaria Cimini, Vanessa Castelli, Riccardo Bertini, Monica Montopoli, Veronica Cocetta, Stefano Borocci, Ingrid G. Prandi, Kelly Flavahan, Melissa Bahr, Anna Napiorkowski, Giovanni Chillemi, Masato Ooka, Xiaoping Yang, Shiliang Zhang, Menghang Xia, Wei Zheng, Jordi Bonaventura, Martin G. Pomper, Jody E. Hooper, Marisela Morales, Avi Z. Rosenberg, Kendall W. Nettles, Sanjay K. Jain, Marcello Allegretti, Michael Michaelides
Publikováno v:
Science advances. 8(48)
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike (S) protein binds angiotensin-converting enzyme 2 (ACE2) at the cell surface, which constitutes the primary mechanism driving SARS-CoV-2 infection. Molecular interactions between
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb41ef5dd945de1725d33dc51a9cb5e9
https://pubmed.ncbi.nlm.nih.gov/35665018
https://pubmed.ncbi.nlm.nih.gov/35665018
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
Publikováno v:
Chemical Physics Letters. 819:140443
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fcbcbd17d22f22b46b361d62367d9dae
https://doi.org/10.1016/j.cplett.2023.140443
https://doi.org/10.1016/j.cplett.2023.140443
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
https://doi.org/10.1002/jcc.26146
Autor:
Francesca, Bugli, Federica, Massaro, Francesco, Buonocore, Paolo Roberto, Saraceni, Stefano, Borocci, Francesca, Ceccacci, Cecilia, Bombelli, Maura, Di Vito, Rosalba, Marchitiello, Melinda, Mariotti, Riccardo, Torelli, Maurizio, Sanguinetti, Fernando, Porcelli
Publikováno v:
International journal of molecular sciences. 23(4)
The increasing resistance of fungi to antibiotics is a severe challenge in public health, and newly effective drugs are required. Promising potential medications are lipopeptides, linear antimicrobial peptides (AMPs) conjugated to a lipid tail, usual
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6210709337cb1e0b626576956d2b1d90
https://pubmed.ncbi.nlm.nih.gov/35216297
https://pubmed.ncbi.nlm.nih.gov/35216297