Electron Attachment Studies with the Potential Radiosensitizer 2-Nitrofuran

Abstract

Nitrofurans belong to the class of drugs typically used as antibiotics or antimicrobials. The defining structural component is a furan ring with a nitro group attached. In the present investigation, electron attachment to 2-nitrofuran (C4H3NO3), which is considered as a potential radiosensitizer candidate for application in radiotherapy, has been studied in a crossed electron–molecular beams experiment. The present results indicate that low-energy electrons with kinetic energies of about 0–12 eV effectively decompose the molecule. In total, twelve fragment anions were detected within the detection limit of the apparatus, as well as the parent anion of 2-nitrofuran. One major resonance region of ≈0–5 eV is observed in which the most abundant anions NO2−, C4H3O−, and C4H3NO3− are detected. The experimental results are supported by ab initio calculations of electronic states in the resulting anion, thermochemical thresholds, connectivity between electronic states of the anion, and reactivity analysis in the hot ground state.

Electron Attachment to 5-Fluorouracil: The Role of Hydrogen Fluoride in Dissociation Chemistry

“…The present experiment is performed in a crossed electron-molecular beam setup described in detail in Refs. [ 47 , 48 ]. A monochromatized electron beam generated by an electrostatic hemispherical electron monochromator interacts perpendicularly with an effusive beam of fluorouracil molecules.…”

The Physical Chemistry and Chemical Physics (PCCP) Section of the International Journal of Molecular Sciences in Its Publications: The First 300 Thematic Articles in the First 3 Years

“…Within the framework of this direction, only 11 articles have been published [ 224 , 225 , 226 , 227 , 228 , 229 , 230 , 231 , 232 , 233 , 234 ], among which there is 1 review. In terms of its subject matter, this direction, to some extent, intersects with both Thematic Area 5 and Thematic Area 6, since ions and radicals are among the objects of Thematic Area 5, and the structure and reactivity of these compounds, obtained as a result of theoretical research (carried out, as a rule, by quantum–chemical methods), are among the objects of Thematic Area 6.…”

“…By analogy, with the systematization of articles indicated in Thematic Area 5, here, it is also advisable to subdivide all publications presented in it into two groups, in the first of which there will be articles on organic compounds, in the second, articles on inorganic compounds. Following this differentiation, the first of these groups should include 7 articles, namely [ 227 , 228 , 229 , 230 , 231 , 232 , 234 ], and the second, 4 articles [ 224 , 225 , 226 , 233 ]. The most significant among them, in our opinion, is review [ 231 ], devoted to the physical chemistry of one of the most stable known radicals, 2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl (also called diphenylpycrylhydrazil or DPPH), which was opened in 1992, and will make it exactly 100 years old, in 2022.…”

“…The most significant among them, in our opinion, is review [ 231 ], devoted to the physical chemistry of one of the most stable known radicals, 2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl (also called diphenylpycrylhydrazil or DPPH), which was opened in 1992, and will make it exactly 100 years old, in 2022. The rest of the articles of this thematic direction, the objects of which were organic compounds, for the most part, were also related to the study of radical particles; for example, in [ 230 ], this was the azide radical, in [ 228 , 229 ], the radicals formed as a result of the interaction of 5-nitro-2-chloropyrimidine and 2-nitrofuran, respectively, with a flux of low-energy electrons. The only exception here is paper [ 232 ], in which the object of study was the C 6 H 6 + cation formed during the ionization of benzene as a result of electron impact.…”

Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability

“…Nitroimidazoles such as nimorazole, are one class of such substances that have demonstrated their radiosensitization potential as oxygen mimetics [ 5 ]. Other derivatives such as fluorinated pyrimidines and heterocyclic- N -oxides are being exploited to counter the setbacks of hypoxia and improve the treatment [ 6 , 7 , 8 , 9 ].…”