https://commons.ru.ac.za/vital/access/manager/Index ${session.getAttribute("locale")} 5 https://commons.ru.ac.za/vital/access/manager/Repository/vital:45008 9 for E. coli and S. aureus planktonic cells. The quaternized derivatives are found to have higher ability to significantly suppress the biofilms of both S. aureus and E. coli in vitro. Therefore, this demonstrates that they are potentially suitable photosensitive agents for PACT use. The TD-B3LYP/LanL2DZ calculations were performed to evaluate the singlet excitation energies of quaternized and non-quaternized porphyrins in vacuo. Our study shows excellent agreement between time-dependent density-functional theory (TD-DFT) excited energies and experimental S1 > S0 excitation energies. The small deviation observed between the calculated and experimental spectra arises from the solvent effect. The excitation energies observed in these UV-visible spectra mostly originated from electron promotion between the highest occupied molecular orbital (HOMO) for the less intense band and the HOMO−1 for the most intense band of the ground states to the lower unoccupied molecular orbital (LUMO) of the excited states.]]> Wed 03 Nov 2021 22:10:59 SAST ]]> https://commons.ru.ac.za/vital/access/manager/Repository/vital:45004 Wed 03 Nov 2021 20:59:57 SAST ]]> https://commons.ru.ac.za/vital/access/manager/Repository/vital:42828 Mon 05 Jul 2021 15:19:46 SAST ]]>