Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

2023-11-30T17:20:03+01:00Tags: , |

Authors: Lozano, Ana I.; Alvarez, Lidia; Garcia-Abenza, Adrian; Guerra, Carlos; Kossoski, Fabris; Rosado, Jaime; Blanco, Francisco; Oller, Juan Carlos; Hasan, Mahmudul; Centurion, Martin; Weber, Thorsten; Slaughter, Daniel S.; Mootheril, Deepthy M.; Dorn, Alexander; Kumar, Sarvesh; Limao-Vieira, Paulo; Colmenares, Rafael; Garcia, Gustavo Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2023/08/01 DOI: 10.3390/ijms241512182 Abstract: In this [...]

Dependence of Induced Biological Damage on the Energy Distribution and Intensity of Clinical Intra-Operative Radiotherapy Electron Beams

2023-11-30T17:19:54+01:00Tags: , |

Authors: Colmenares, Rafael; Carrion-Marchante, Rebeca; Martin, M. Elena; Munoz, Laura Salinas; Garcia-Bermejo, Maria Laura; Oller, Juan C.; Munoz, Antonio; Blanco, Francisco; Rosado, Jaime; Lozano, Ana I.; alvarez, Sofia; Garcia-Vicente, Feliciano; Garcia, Gustavo Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2023/07/01 DOI: 10.3390/ijms241310816 Abstract: The survival fraction of epithelial HaCaT cells was analysed to assess [...]

Graphene as Nanocarrier for Gold(I)-Monocarbene Complexes: Strength and Nature of Physisorption

2023-11-30T17:19:43+01:00Tags: , |

Authors: Orek, Cahit; Bartolomei, Massimiliano; Coletti, Cecilia; Bulut, Niyazi Journal: MOLECULES Publication date: 2023/05/07 DOI: 10.3390/molecules28093941 Abstract: Gold(I) metal complexes are finding increasing applications as therapeutic agents against a variety of diseases. As their potential use as effective metallodrugs is continuously confirmed, the issue of their administration, distribution and delivery to desired biological targets emerges. [...]

Absolute Differential Cross-Sections for Elastic Electron Scattering from Sevoflurane Molecule in the Energy Range from 50-300 eV

2023-02-21T13:37:30+01:00Tags: , |

Authors: Vukalovic, Jelena; Maljkovic, Jelena B.; Blanco, Francisco; Garcia, Gustavo; Predojevic, Branko; Marinkovic, Bratislav P. Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2022/01/01 DOI: 10.3390/ijms23010021 Abstract: We report the results of the measurements and calculations of the absolute differential elastic electron scattering cross-sections (DCSs) from sevoflurane molecule (C4H3F7O). The experimental absolute DCSs for elastic [...]

Total Electron Detachment and Induced Cationic Fragmentation Cross Sections for Superoxide Anion (O-2(-)) Collisions with Benzene (C6H6) Molecules

2023-02-21T13:37:16+01:00Tags: , |

Authors: Guerra, Carlos; Kumar, Sarvesh; Aguilar-Galindo, Fernando; Diaz-Tendero, Sergio; Lozano, Ana I.; Mendes, Monica; Oller, Juan C.; Limao-Vieira, Paulo; Garcia, Gustavo Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2022/02/01 DOI: 10.3390/ijms23031266 Abstract: In this study, novel experimental total electron detachment cross sections for O-2(-) collisions with benzene molecules are reported for the impact energy [...]

A Benchmark Protocol for DFT Approaches and Data-Driven Models for Halide-Water Clusters

2023-02-21T13:37:12+01:00Tags: , |

Authors: Rodriguez-Segundo, Raul; Arismendi-Arrieta, Daniel J.; Prosmiti, Rita Journal: MOLECULES Publication date: 2022/03/01 DOI: 10.3390/molecules27051654 Abstract: Dissolved ions in aqueous media are ubiquitous in many physicochemical processes, with a direct impact on research fields, such as chemistry, climate, biology, and industry. Ions play a crucial role in the structure of the surrounding network of water [...]

Bound Electron Enhanced Radiosensitisation of Nimorazole upon Charge Transfer

2023-02-21T13:36:46+01:00Tags: , |

Authors: Kumar, Sarvesh; Ben Chouikha, Islem; Kerkeni, Boutheina; Garcia, Gustavo; Limao-Vieira, Paulo Journal: MOLECULES Publication date: 2022/07/01 DOI: 10.3390/molecules27134134 Abstract: This novel work reports nimorazole (NIMO) radiosensitizer reduction upon electron transfer in collisions with neutral potassium (K) atoms in the lab frame energy range of 10-400 eV. The negative ions formed in this energy range [...]

Sensing the ortho Positions in C6Cl6 and C6H4Cl2 from Cl-2(-) Formation upon Molecular Reduction

2023-02-21T13:36:29+01:00Tags: , |

Authors: Kumar, Sarvesh; Romero, Jose; Probst, Michael; Maihom, Thana; Garcia, Gustavo; Limao-Vieira, Paulo Journal: MOLECULES Publication date: 2022/08/01 DOI: 10.3390/molecules27154820 Abstract: The geometrical effect of chlorine atom positions in polyatomic molecules after capturing a low-energy electron is shown to be a prevalent mechanism yielding Cl-2(-). In this work, we investigated hexachlorobenzene reduction in electron transfer [...]

Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures

2023-02-21T13:36:25+01:00Tags: , |

Authors: Apriliyanto, Yusuf Bramastya; Faginas-Lago, Noelia; Evangelisti, Stefano; Bartolomei, Massimiliano; Leininger, Thierry; Pirani, Fernando; Pacifici, Leonardo; Lombardi, Andrea Journal: MOLECULES Publication date: 2022/09/01 DOI: 10.3390/molecules27185958 Abstract: The ability to remove carbon dioxide from gaseous mixtures is a necessary step toward the reduction of greenhouse gas emissions. As a contribution to this field of research, we [...]

Double and Triple Differential Cross Sections for Single Ionization of Benzene by Electron Impact

2022-04-05T17:41:08+02:00Tags: , |

Authors: Lozano, Ana I.; Costa, Filipe; Ren, Xueguang; Dorn, Alexander; Alvarez, Lidia; Blanco, Francisco; Limao-Vieira, Paulo; Garcia, Gustavo Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2021/05/01 DOI: 10.3390/ijms22094601 Abstract: Experimental results for the electron impact ionization of benzene, providing double (DDCS) and triple differential cross sections (TDCS) at the incident energy of 90 eV, [...]

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