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In this study, a simple and efficient vortex-assisted supramolecular solvent microextraction (VA-SUPRA-ME) method for the simultaneous extraction of 8 BMZs from freshwater fish was established using response surface methodology (RSM) and artificial neural network genetic algorithm (ANN-GA) based on the comprehensive score M from the entropy weight method. The SUPRAS was added to the fish matrix and the benzimidazole extracted were determined by HPLC-PDA. The SUPRAS consisted of 2 mL n-decanol, 6 mL tetrahydrofuran and 32 mL water. The optimised extraction methods (425 μL SUPRAS, vortexing for 4.75 min and pH 6.5) were linearly good with correlation coefficients >0.9990. The recoveries ranged from 92.89 % to 112.29 %, with relative standard deviations (RSDs) of <6.4 %. The limits of detection (LODs) ranged from 0.005 to 0.010 mg kg and the limit of quantification (LOQs) from 0.017 to 0.033 mg kg. This method offers faster extraction, lower solvent use and efficient multi-component extraction.
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http://dx.doi.org/10.1016/j.foodchem.2025.144999 | DOI Listing |
Angew Chem Int Ed Engl
September 2025
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow, G1 1RX, UK.
Porous metal-organic polyhedra (MOPs) have strong covalent and coordinate bonds that define the intrinsic pore of the cage. The intermolecular interactions between cages tend to be weaker, such that they rearrange during the solvent exchange process preceding gas sorption measurements. The reduction in crystal size that this often causes limits the availability of structural data that could enable understanding of observed gas uptake.
View Article and Find Full Text PDFAdv Mater
September 2025
College of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, China.
The development of transparent materials with mechanical rigidity and hardness via the non-covalent bonding of low-molecular-weight building blocks is a major challenge. Although various strategies have been developed to improve the mechanical performance of supramolecular materials, they are frequently accompanied by complex designs and tedious syntheses. Therefore, it is urgent to develop perspectives that are fundamentally distinguished from previous strategies.
View Article and Find Full Text PDFJ Comput Aided Mol Des
September 2025
Supramolecular and Catalysis Lab, Department of Natural Products Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai, Tamil Nadu, India.
TGF-β receptor I kinase plays a significant role in cancer biology and is a well-established target for cancer drug development, as evidenced by active molecules like Galunisertib (LY2157229). Computational studies were conducted to analyse the catalytic site of TGF-β receptor I kinase, identifying key amino acid residues essential for binding. Based on these findings, Alicyclic fused pyrazole derivatives were designed.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Enzymes catalyze chemical reactions with remarkable rate enhancements and selectivity. Supramolecular catalysis seeks to understand and emulate these outcomes, leveraging noncovalent interactions, electric fields, and controlled active site microenvironments to enhance catalysis in an enzyme-like fashion. The effects of conformational dynamics on supramolecular catalysts and assemblies are, however, relatively unexplored, despite their crucial role in enzyme rate enhancement.
View Article and Find Full Text PDFZhongguo Ying Yong Sheng Li Xue Za Zhi
September 2025
Department of Pharmaceutics, SMBT College Of Pharmacy, Nashik, Maharashtra, India.
Pharmaceutical cocrystals have emerged as a transformative approach in drug development, enhancing the physicochemical properties of active pharmaceutical ingredients (APIs) such as solubility, bioavailability, stability, and dissolution rate without altering their pharmacological characteristics. Defined as multicomponent crystalline solids composed of two or more neutral molecules in a stoichiometric ratio, cocrystals are formed through non-ionic interactions like hydrogen bonding and π-π stacking. This review explores the evolution, design, preparation, and applications of pharmaceutical cocrystals, highlighting their ability to improve drug performance, enable controlled release, and offer intellectual property opportunities.
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