A novel approach for adsorption of organic dyes from aqueous solutions using a sodium alginate/titanium dioxide nanowire doped with zirconium cryogel beads.

The presence of organic dyes in wastewater raises significant environmental and human health concerns, owing to their high toxicity. In light of this, a novel adsorbent material with porous cryogel architecture was developed and employed for the effective removal of organic dyes from an aqueous solution. Initially, a titanium dioxide nanowire doped with zirconium HZTO was synthesized by the hydrothermal process. Subsequently, the beads (SA/HZTO) of sodium alginate and HZTO were successfully prepared through a cross-linking process, employing Ca2+ ions as the crosslinking agent. Structural analysis of SA/HZTO beads was performed using FTIR, SEM, and EDX techniques. We systematically examined the impact of different conditions, including the initial dye concentration, pH, contact time, and adsorbent dosage, on the adsorption process. Batch experiments, both in signal and binary systems, were conducted to rigorously assess the dye adsorption capabilities. Kinetic modeling revealed that the adsorption process adhered to the pseudo-second-order kinetic model. Remarkably, the prepared beads exhibited impressive adsorption capacities of 26 and 29 mg/g toward methylene blue (MB) and safranin (SF), respectively. SA/HZTO beads have demonstrated excellent adsorption properties, offering a promising avenue for the development of low-cost, efficient, and reusable adsorbent to remove dyes from wastewater.

Surface modification of α-chitin using an acidic treatment followed by ultrasonication: Measurements of their sorption properties.

The biopolymer α-chitin is a promising raw source that can be used as a low-cost material for environmental applications. Nevertheless, its low surface properties and high crystallinity limit its use. Recent developments include surface modification as one of the most promising strategies for the application of α-chitin. To this end, we used an acidic treatment, followed by ultrasonication, to modify the α-chitin surface and improve its sorption characteristics to achieve the above goal. Structural analysis and measurement of the physicochemical properties (chemical structure and thermal degradation) of α-chitin, before and after surface modification, indicated no significant changes. However, specific surface area, morphology, surface charge, crystallinity and study of the sorption of methylene blue (MB) from aqueous solution demonstrated surface modification. It was established that the SBET of modified α-chitin increased to 110.7 m2/g and the crystallinity index decreased to 48%. Interestingly, the modified α-chitin could easily adsorb organic dye from an aqueous solution. The experimental adsorption capacity of the resulting α-chitin after surface modification reached the value of about 95 mg/g.

Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?

During the past decade, decreasing the attrition rate of drug development candidates reaching the market has become one of the major challenges in pharmaceutical research and drug development (R&D). To facilitate the decision-making process, and to increase the probability of rapidly finding and developing high-quality compounds, a variety of multiparametric guidelines, also known as rules and ligand efficiency (LE) metrics, have been developed. However, what are the 'best' descriptors and how far can we simplify these drug-likeness prediction tools in terms of the numerous, complex properties that they relate to?