Enhanced Photocatalytic Degradation with Sustainable CaO Nanorods Doped with Ce and Cellulose Nanocrystals: In Silico Molecular Docking Studies.
Muhammad IkramAyesha KhalidAnum ShahzadiAli HaiderSadia NazMisbah NazIram ShahzadiAnwar Ul-HamidJunaid HaiderWalid NabganAlvina Rafiq ButtPublished in: ACS omega (2022)
This research work intends to evaluate the photoactivity of calcium oxide (CaO) nanorods (NRs) doped with cellulose nanocrystals (CNCs) and cerium (Ce). CNC-doped CaO and Ce/CNC codoped CaO were synthesized via the sol-gel technique. Structural, optical, morphological, physiochemical, phase constitution, and functional group evaluations were performed. The photodegradation of the prepared nanostructures was analyzed by observing photodegradation of a mixture of methylene blue and ciprofloxacin dye under light irradiation. The photocatalytic activity of the dye was drastically enhanced upon codoping in CaO. For both Escherichia coli and Staphylococcus aureus , statistically significant inhibitory zones ( p < 0.05) were achieved in the case of CNCs and pristine and codoped CaO. Furthermore, in silico molecular docking studies (MDS) were accomplished against DNA gyrase from nucleic acid biosynthesis and enoyl-[acyl-carrier-protein] reductase (FabI) from the fatty acid biosynthetic pathway to rationalize the possible mechanism behind these antibacterial activities.
Keyphrases
- molecular docking
- visible light
- highly efficient
- nucleic acid
- energy transfer
- molecular dynamics simulations
- quantum dots
- escherichia coli
- staphylococcus aureus
- fatty acid
- reduced graphene oxide
- room temperature
- ionic liquid
- pseudomonas aeruginosa
- biofilm formation
- case control
- metal organic framework
- radiation therapy
- single molecule
- high speed
- radiation induced
- candida albicans
- gold nanoparticles
- wound healing
- small molecule
- anti inflammatory