•In silico docking and binding analysis of chitinase from P. fluorescens MP-13 with GAPDH from H. theivora.•Chitinase and GAPDH were docked using the HADDOCK docking software.•GAPDH were determined ...using SOPMA, and their three-dimensional structures were modeled using the Swiss model and validated using PROCHECK and Ramachandran plots.•Amino acid residues involved in binding were analyzed using PDBSum and the final docked structure was visualized using PyMol.
Tea Camellia sinensis (L.) O. Kuntze is an important crop cultivated in all over the world. The main problem in tea cultivation is the attack by a bug called Helopeltis theivora. Many different strategies, such as the use of pesticides and insecticides, have been developed to prevent pest attacks on tea crops. However, most pesticides and insecticides are also hazardous to the environment. Therefore, biopesticides can be used as alternatives to chemical pesticides to prevent pest attacks on crops. Chitinase is an important biopesticide owing to its ability to prevent pest growth. Hence, this enzyme could be used to target H. theivora by attacking C. sinensis. The present study involved in silico docking and binding analysis of a chitinase from Pseudomonas fluorescens MP-13 with glyceraldehyde 3-phosphate dehydrogenase (GAPDH) from H. theivora. The secondary structures of chitinase and GAPDH were determined using SOPMA, and their three-dimensional structures were modeled using the Swiss model and validated using PROCHECK and Ramachandran plots. Chitinase and GAPDH were docked using HADDOCK docking software. Docking studies governed a HADDOCK docking score of -125.8, which showed good binding between the two proteins. The amino acid residues involved in binding were analyzed using PDBSum and the final docked structure was visualized using PyMol. Furthermore, in molecular dynamics studies, the binding region between chitinase and GAPDH residues was intact and stable, and did not detach throughout the simulation duration. It is clearly evidenced that chitinase from P. fluorescens and GAPDH from H. theivora interacted well with each other, thereby improves the chitinase's ability to target H. theivora and hence, chitinase can be used as a potent biopesticide. However, a detailed molecular functional and experimental studies are mandates to confirm the role of P. fluorescens in regulation of H. theivora.
This study presents the ion-exchange elimination of hexavalent chromium Cr(VI) from electroplated industrial wastewater. The effects of experimental factors such as pH, contact time, adsorbent dose, ...temperature, and co-ions on Cr(VI) removal were investigated. The metal ions were maximally removed (up to 96.7 %) and obtained with a resin dosage of 3 g L−1 at pH 2 for 70 min. Thermodynamic parameters, such as the standard Gibbs free energy change (ΔG0), standard enthalpy change (ΔH0),and standard entropy change (ΔS0), were calculated. The negative value of ΔG0(−8.031 kJ/mol K)indicates the spontaneity of the ion exchange process. The Freundlich and Langmuir isotherms fit the adsorption data well. The adsorption kinetics of Cr(VI) on the Amberlite IRA400 resin were analyzed using reversible first-order kinetics. The presence of Zn(II) and Ni(II) increased the efficiency of the adsorption process in the order Zn(II) > Ni(II). Column experiments were conducted to determine the breakthrough point of the packed-bed resin column, and a break-even concentration of 0.1 mgL−1 was deducted after the treatment of 4.5 L of the effluent. The adsorption data from the column studies were fitted using the Adam–Bohart adsorption model and the results fit the model well. A mathematical approach to the regeneration process is described in this study. The reusability of the resin was tested for 30 cycles and its efficiency of the regenerated resin was found to be above 97 % after the 30th cycle.
•Ion-exchange study removes hexavalent chromium Cr (VI) through electroplating.•Maximum metal ion removal (96.7 %) with 3gL−1 resin dosage at pH 2 for 70 min•Thermodynamic parameters such ΔG0, ΔH0, and ΔS0 were calculated.•Adsorption data from column and fixed bed were modelled using Adam-Bohart model.
Carbon-centric adsorbents (CCA) are diverse forms, from simple biochar (BC) to graphene derivatives, carbon nanotubes (CNTs), and activated carbon (AC), which have been vastly explored for their ...removal of a plethora of pollutants, including heavy metals (HM). The prominent features of CCA are their operational attributes like extensive surface area, the occurrence of flexible surface functional groups, etc. This work offers a comprehensive examination of contemporary research on CCA for their superior metal removal aptitude and performances in simulated solutions and wastewater flows; via portraying the recent research advances as an outlook on the appliances of CACs for heavy metal adsorption for removal via distinct forms like AC, BC, Graphene oxide (GO), and CNTs. The bibliometric analysis tool was employed to highlight the number of documents, country-wise contribution, and co-occurrence mapping based on the Scopus database. The coverage of research works in this review is limited to the last 5 years (2017–2021) to highlight recent progress and prospects in using CCAs such as AC, BC, GO, and CNTs to remove HM from aqueous media, which makes the review unique. Besides an overview of the common mechanisms of CACs, the future scope of CAC, especially towards HM mitigation, is also discussed in this review. This review endorses that further efforts should be commenced to enhance the repertory of CCAs that effectively eliminate multiple targeted metals in both simulated and real wastewater.
Luminescent carbon dots have gained significant attention in various fields due to their unique optical properties and potential applications. Here, the study was aimed to propose a novel and ...sustainable approach for the synthesis of luminescent carbon dots (ICDs) using IV (Intravenous) medical bag waste. The ICDs were synthesized through a facile and cost-effective method that involved the carbonization of IV bag waste followed by surface functionalization with chitosan. The synthesized ICDs were characterized using UV–Visible spectrum (UV–Vis), Fourier Transform Infrared Spectroscopy (FT-IR), X-Ray Diffraction analysis (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The size of the ICDs is between 2 and 8 nm. The ICDs effectively inhibited the growth of both gram positive and gram negative bacterial strains with the inhibitory activity in the range of 11–14 mm and 12–18 mm, respectively. Results of antibiofilm activity of ICDs varying concentrations (50 and 100 μg/ml) showed that it effectively distorted the biofilm architecture and thereby validated its promising potentials. In vitro antioxidant activity showed remarkable DPPH radical scavenging potentials of ICDs (33.4%–70.1%). Results of MTT assay revealted that ICDs showed potent cytotoxic effect on HeLa cells in a dose dependant matter (25–400 μg/ml). Furthermore, when HeLa cells were excited at wavelengths of 380 nm, 440 nm and 540 nm, cell-imaging experiments using ICDs revealed the presence of blue, green, and red fluorescence. This innovative method not only addresses the issue of IV bag waste in a sustainable manner but also opens up exciting possibilities for the advancement of versatile carbon-based materials in the field of biomedicine.
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•Luminescent carbon dots are prepared from waste IV bag by simple two-step strategy.•Carbon dots exhibits better antibacterial and biofilm inhibition properties.•Durable carbon dots supports for fluorescent HeLa cells cellular imaging.
