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[Display omitted] • Methylene blue and Crystal violet removal studies using magnetic biosorbents prepared from Heracleum Persicum waste. • The quasi-second-order kinetic model best showed the methylene blue and crystalline violet data in the binary system. • The extended Langmuir multicomponent model better fit the methylene blue and crystal violet experimental data in binary aqueous solution. • RF has a higher predictive ability than ANN due to its better statistical parameters. Synthetic dyes can be hazardous to the ecosystem, even at low concentrations in the effluent. In this research, the Heracleum persicum stems-Fe3O4 (MHPS) adsorbent performance for the removal of crystal violet (CV) and methylene blue (MB) from binary aqueous solutions was investigated in a batch method under the influence of different parameters. In addition, predictive models for the adsorption process were developed using machine learning techniques such as artificial neural networks and random forests. ANN and RF models achieved high R2 values of 0.9501 and 0.9797 for CV, 0.9471, and 09,834 for MB, respectively, and obtained low MSE values of 0.07107 and 0.03405 for CV, 0.09933, and 0.02908 for MB. The proposed adsorbent is cheap and eco-friendly and, on the other hand, is easily collected by the magnetic field. The adsorbent was characterized by applying FESEM-EDX, FESEM, BET, and FTIR. Various isotherm and kinetics models for the simultaneous adsorption of CV and MB were investigated in aqueous solutions. The adsorption isotherm and kinetics studies explain that the extended Langmuir model and pseudo-second-order models are best suited for CV and MB in the binary solution. The exothermic adsorption was achieved in the temperature range of 5–45 °C. [ABSTRACT FROM AUTHOR]

[Display omitted] • The use of Gypsophila aretioides stems as a bio-sorbent to remove the crystal violet (CV) dye. • The bio-sorbent is cheap, simple, minimize excess sludge and eco-friendly. • The column breakthrough curves were fitted by the Thomas and Yoon-Nelson models. • The batch and fixed-bed adsorptions were evaluated by the random forest model. • After five times of regeneration, the removal percentage was high with both methods. In this work, the Gypsophila aretioides (GYP-A) stem is used as a biosorbent to remove crystal violet (CV) by the static and dynamic systems from aqueous solutions; the biosorbent is interesting in green chemistry and, on the other hand, cheaper than activated carbon and does not have the limitation of industrialization. The effects of different operating parameters such as pH(3–9), biosorbent dosage(0.4–1.8 mg/L), and initial concentration of CV(100–250 mg/L) and time for the batch method and the bed height, inlet CV concentration(75–250 mg/L), and flow rate(3–8) on the breakthrough curves for the continuous method is investigated. The result of CV adsorption onto GYP-A using the batch method indicates that the model fits Freundlich > Temkin > Langmuir > R-D, and R2 equal 0.9953, 0.9847, 0.9161, 0.7909 were obtained for isotherm model, respectively. A pseudo-second-order model (R2 = 0.9995–0.9997) is recommended to describe the adsorption kinetics. The Thomas and Yoon-Nelson models were analyzed to study the adsorption kinetics. The random forest model shows an excellent ability to predict the parameters involved in the CV adsorption process with appropriate accuracy and useable for large data, robust against noise; it can be very effective in selecting important variables. [ABSTRACT FROM AUTHOR]

[Display omitted] • Three novel curcumin-fused aldohexose compounds 3 (a-c) were synthesized. • The compounds have been property characterized and further used in a series of biological in vivo and in vitro assays. • All compounds inhibited α-Amy and α-Gls by mixed and competitive mechanisms, respectively. • The intrinsic fluorescence of α-Amy was quenched by the interaction with compounds 1 and 3b through a dynamic quenching mechanism. • Molecular docking and molecular dynamics (MD) simulations indicated that all compounds mainly interacted with amino acid residues located in the active site of proteins. • In-vivo studies confirmed the plasma glucose diminution by administration compound 3b compared to the positive control. Curcumin (bis-α,β-unsaturated β-diketone) plays an important role in the prevention of numerous diseases, including diabetes. Curcumin, as an enzyme inhibitor, has ideal structural properties including hydrophobic nature, flexible backbone, and several available hydrogen bond (H-bond) donors and acceptors. In this study, curcumin-fused aldohexose derivatives 3 (a-c) were synthesized and used as influential agents in the treatment of diabetes with inhibitory properties against two carbohydrate-hydrolyzing enzymes α-glucosidase (α-Gls) and α-amylase (α-Amy) which are known to be significant therapeutic targets for the reduction of postprandial hyperglycemia. These compounds were isolated, purified, and then spectrally characterized via FT-IR, Mass, 1H, and 13C NMR, which strongly confirmed the targeted product's formation. Also, their inhibitory properties against α-Gls and α-Amy were evaluated spectroscopically. The Results indicated that all compounds strongly inhibited α-Amy and α-Gls by mixed and competitive mechanisms, respectively. The intrinsic fluorescence of α-Amy was quenched by the interaction with compounds 1 and 3b through a dynamic quenching mechanism, and the 1 and 3b /α-Amy complexes were spontaneously formed, mainly driven by the hydrophobic interaction and hydrogen bonding. Fourier transform infrared spectra (FT-IR) comprehensively verified that the binding of compounds 1 and 3b to α-Amy would change the conformation and microenvironment of α-Amy, thereby inhibiting the enzyme activity. Docking and molecular dynamics (MD) simulations showed that all compounds interacted with amino acid residues located in the active pocket site of the proteins. In vivo studies confirmed the plasma glucose diminution after the administration of compound 3b to Wistar rats. Accordingly, the results of the current work may prompt the scientific communities to investigate the possibility of compound 3b application in the clinic. [ABSTRACT FROM AUTHOR]