Sivas Cumhuriyet University

Coal gasification fine slag (CGFS) contains considerable residual carbon, but its separation is challenging due to fine particle size and complex phase associations. This study compares conventional flotation and enhanced gravity separation for CGFS, integrating response surface methodology and machine learning to predict combustible recovery and analyze parameter effects. Results show that flotation achieved only similar to 54% combustible recovery even at high reagent dosages, while enhanced gravity separation reached up to 96.8% under optimized conditions (20 Hz frequency, 0.020 MPa pressure, 30 g/L solid concentration). Fuerstenau curves confirm higher separation efficiency (1.587 vs. 1.288) for gravity separation. The machine learning model achieved superior prediction accuracy (R-2 = 0.95) compared to RSM (R-2 = 0.85), revealing parameter influence order: frequency > pressure > concentration. This study demonstrates that enhanced gravity separation offers a reagent-free, highly effective alternative for CGFS upgrading, while data-driven modeling provides significant advantages over conventional regression methods for complex separation processes.

The most commonly used pairwise comparison method in the literature is the Analytic Hierarchy Process (AHP), with the Best Worst Method (BWM) proposed as an alternative. Both methods can be effectively used in studies with a small number of decision-makers. However, in cases where the number of participants increases, the consistency and applicability of the surveys can sharply decrease. In some instances, it has been observed that the consistency in AHP is considered acceptable up to 10

A novel hybrid ligand 2b (3,5-bis((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)-N-(2-hydroxyphenyl)benzamide) was obtained from the amidation reaction between Schiff base 1b (3,5-bis((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)benzoic acid) and 2-hydroxyaniline by using dicyclohexylcarbodiimide. The coordination of 2b with zinc ions resulted in the formation of a neutral dinuclear and non-electrolyte complex of 3b [Zn2L2(H2O)4]& centerdot;2H2O at a stoichiometric 2 : 2 mol ratio, where each zinc(ii) cation is six-coordinate in a distorted octahedral geometry with two coordinated water molecules. They were characterized by IR, NMR and UV-vis spectroscopy both experimentally and theoretically. Thermal and mass analyses provided information regarding the presence of water molecules. DFT simulations were performed to obtain the lowest-energy structures of the compounds. The calculated frontier molecular orbital gaps correlated well with the optical bandgaps. 1b-2b emitted strong greenish-blue and green emissions in dilute DMSO and DMF solutions. The emission color of 3b shifted to bluish-green/green. Their emission properties were evaluated in binary aqueous mixtures with varying water content (fw = 0-90%). Upon increasing the water fraction, the intensity was enhanced by changing the spectral profiles of the media. 1b-3b possess lower DPPH scavenging activity than ascorbic acid. The absorption, distribution, metabolism, and elimination (ADME) parameters were calculated for the ligands.

Four novel bioactive boron containing compounds (BCCs) were prepared by the reactions of quercetin and various boronic acids using a Dean-Stark technique to remove the H2O formed as a result of the chemical reaction. The antiepileptic properties of the bioactive BCCs also were investigated under suitable conditions. For this aim, the effect of the BCCs on the enzyme activities of carbonic anhydrase I and II isoenzymes (hCA I and hCA II) were evaluated spectrophotometrically. The bioactive BCCs have been investigated for their potential anticancer properties against PC-3, Du-145, and HEK-293 T cell lines utilizing the WST-1 assay method. Notably, the IC50 values of both boron compounds against the healthy control HEK-293 T cells were significantly higher compared to those observed in cancer cells. Lastly, bioactive boron containing compounds were examined through Gaussian calculations employing the B3LYP, HF, and M062X methods on the 6–31 + + g(d,p) basis set. Computational molecular docking was performed on specific proteins and ADME/T calculations were conducted to analyze the effects and interactions of these compounds at human metabolism.

This study presents an integrated experimental and computational investigation into the biosorption of methyl orange, an anionic azo dye, onto unmodified Lactobacillus fermentum biomass. The research encompasses comprehensive analytical, morphological, and theoretical assessments to elucidate biosorbent–biosorbate interactions. The functional groups and elemental composition of the biosorbent were characterized using Fourier-transform infrared spectroscopy (FTIR) and energy-dispersive X-ray spectroscopy (EDX), respectively. Surface morphology was visualized using scanning electron microscopy (SEM). Biosorption experiments were systematically optimized by evaluating the influence of key parameters, including solution pH, biosorbent dosage, and contact time. The highest adsorption efficiency was achieved at pH 7, with equilibrium attained within 300 min. Thermodynamic analyses revealed that the biosorption process was exothermic and spontaneous, with a decrease in biosorption capacity observed at elevated temperatures. Equilibrium data were fitted to isotherm models including Freundlich, Langmuir, Temkin, and Dubinin–Radushkevich, while the kinetic behavior was best described by pseudo-first-order and pseudo-second-order models. Furthermore, density functional theory (DFT) calculations were performed for methyl orange using B3LYP, HF, and M06—2X methods with 6—31G, 6—31 + + G, and 6—31 + + G** basis sets via the Gaussian software package. To complement the experimental findings, molecular docking simulations were conducted to investigate the interaction of methyl orange with target proteins from Lactobacillus fermentum crystal structures (PDB IDs: 7DT1 and 4LQL). ADME/T (Absorption, Distribution, Metabolism, Elimination/Toxicity) analysis was also performed to assess the pharmacokinetic and toxicological properties of the dye molecule. This study provides a multifaceted understanding of biosorption efficiency and molecular-level interaction mechanisms, establishing a foundation for potential biotechnological applications in dye remediation.