Theoretical and experimental electronic spectra of neutral, monoprotonated and diprotonated dapsone

Insight into novel anti-mucormycosis therapies: investigation of new anti-mucormycosis laser-induced photodynamic therapy based on a sulphone bis-compound loaded silica nanoemulsion

“…The second absorption band at 292 nm corresponds to the one-electron HOMO (π LP-N ) → LUMO (σ* SO ) transition. This result is in agreement with the results of Moura et al 34 …”

“…The second absorption band at 292 nm corresponds to the one-electron HOMO (p LP-N ) / LUMO (s* SO ) transition. This result is in agreement with the results of Moura et al 34 The UV-vis absorption spectra of silica nanoemulsion with a particle size of 100 nm exhibit a broad absorption band at 238 nm corresponding to paramagnetic defects such as paramagnetic positively-charged oxygen vacancies (^Si$Si^) and neutral dangling Si bonds (^Si). [37][38][39][40] The absorption spectra of SBDMP-loaded silica nanoemulsion shows two UV absorption peaks of SBDMP sharpened with high absorption intensity.…”

“…The UV spectra of the SBDMP show only the two most signicant UV bands of the dapsone and its derivatives with some wavelength shis. [34][35][36] The rst absorption band has a peak at 252 nm corresponding to an electronic transition from the electronic ground state to the sixth electronic excited state, attributed to the HOMO−1 of the nitrogen lone pairpi (p LP-N ) to the LUMO of the sigma antibonding orbital of the sulfur-oxygen transition (s* SO ). The second absorption band at 292 nm corresponds to the one-electron HOMO (p LP-N ) / LUMO (s* SO ) transition.…”

4,4′-Diaminodiphenyl Sulfone (DDS) as an Inflammasome Competitor

“…The electrostatic potential visualizes the positive and negative electrostatic potential regions which are susceptible to nucleophilic and electrophilic attack [ 38 ]. The symmetry level was determined by DDS molecular charge analysis.…”