COVID-19 in Indonesia is considered to be entering the endemic phase, and the population is expected to live side by side with the SARS-CoV 2 viruses and their variants. In this study, procyanidin, oleic acid, methyl linoleic acid, and vitexin, four compounds from binahong leaves-tropical/subtropical plant, were examined for their interactions with the major protease (Mpro) of the SARS-CoV 2 virus. Molecular dynamics simulation shows that procyanidin and vitexin have the best docking scores of -9.132 and -8.433, respectively. Molecular dynamics simulation also shows that procyanidin and vitexin have the best Root Mean Square Displacement (RMSD) and Root Mean Square Fluctuation (RMSF) performance due to dominant hydrogen, hydrophobic, and water bridge interactions. However, further strain energy calculation obtained from ligand torsion analyses, procyanidin and vitexin do not conform as much as quercetin as ligand control even though these two ligands have good performance in terms of interaction with the target protein.
Herein, tropical fruit biomass wastes including durian seeds (DS) and rambutan peels (RP) were used as sustainable precursors for preparing activated carbon (DSRPAC) using microwave-induced H3PO4 activation. The textural and physicochemical characteristics of DSRPAC were investigated by N2 adsorption-desorption isotherms, X-ray diffraction, Fourier transform infrared, point of zero charge, and scanning electron microscope analyses. These findings reveal that the DSRPAC has a mean pore diameter of 3.79 nm and a specific surface area of 104.2 m2/g. DSRPAC was applied as a green adsorbent to extensively investigate the removal of an organic dye (methylene blue, MB) from aqueous solutions. The response surface methodology Box-Behnken design (RSM-BBD) was used to evaluate the vital adsorption characteristics, which included (A) DSRPAC dosage (0.02-0.12 g/L), (B) pH (4-10), and (C) time (10-70 min). The BBD model specified that the DSRPAC dosage (0.12 g/L), pH (10), and time (40 min) parameters caused the largest removal of MB (82.1%). The adsorption isotherm findings reveal that MB adsorption pursues the Freundlich model, whereas the kinetic data can be well described by the pseudo-first-order and pseudo-second-order models. DSRPAC exhibited good MB adsorption capability (118.5 mg/g). Several mechanisms control MB adsorption by the DSRPAC, including electrostatic forces, π-π stacking, and H-bonding. This work shows that DSRPAC derived from DS and RP could serve as a viable adsorbent for the treatment of industrial effluents containing organic dye.
A composite of chitosan biopolymer with microalgae and commercial carbon-doped titanium dioxide (kronos) was modified by grafting an aromatic aldehyde (salicylaldehyde) in a hydrothermal process for the removal of brilliant green (BG) dye. The resulting Schiff's base Chitosan-Microalgae-TiO2 kronos/Salicylaldehyde (CsMaTk/S) material was characterised using various analytical methods (conclusive of physical properties using BET surface analysis method, elemental analysis, FTIR, SEM-EDX, XRD, XPS and point of zero charge). Box Behnken Design was utilised for the optimisation of the three input variables, i.e., adsorbent dose, pH of the media and contact time. The optimum conditions appointed by the optimisation process were further affirmed by the desirability test and employed in the equilibrium studies in batch mode and the results exhibited a better fit towards the pseudo-second-order kinetic model as well as Freundlich and Langmuir isotherm models, with a maximum adsorption capacity of 957.0 mg/g. Furthermore, the reusability study displayed the adsorptive performance of CsMaTk/S remains effective throughout five adsorption cycles. The possible interactions between the dye molecules and the surface of the adsorbent were derived based on the analyses performed and the electrostatic attractions, H-bonding, Yoshida-H bonding, π-π and n-π interactions are concluded to be the responsible forces in this adsorption process.
In this work, sugarcane bagasse waste (SBW) was used as a lignocellulosic precursor to develop a high-surface-area activated carbon (AC) by thermal treatment of the SBW impregnated with KOH. This SBW activated carbon (SBWAC) was characterized by crystallinity, porosity, surface morphology and functional groups availability. The SBWAC exhibited Type I isotherm which corresponds to microporosity with high specific surface area of 709.3 m2/g and 6.6 nm of mean pore diameter. Further application of SBWAC as an adsorbent for methylene blue (MB) dye removal demonstrated that the adsorption process closely followed the pseudo-second order kinetic and Freundlich isotherm models. Conversely, a thermodynamic study revealed the endothermic nature and spontaneity of MB dye adsorption on SBWAC with high acquired adsorption capacity (136.5 mg/g). The MB dye adsorption onto SBWAC possibly involved electrostatic interaction, H-bonding and π-π interaction. This work demonstrates SBW as a potential lignocellulosic precursor to produce high-surface-area AC that can potentially remove more cationic dyes from the aqueous environment.