Trifluoromethylated Flavonoid-Based Isoxazoles as Antidiabetic and Anti-Obesity Agents: Synthesis, In Vitro α-Amylase Inhibitory Activity, Molecular Docking and Structure–Activity Relationship Analysis

Diabetes mellitus is a major health problem globally. The management of carbohydrate digestion provides an alternative treatment. Flavonoids constitute the largest group of polyphenolic compounds, produced by plants widely consumed as food and/or used for therapeutic purposes. As such, isoxazoles have attracted the attention of medicinal chemists by dint of their considerable bioactivity. Thus, the main goal of this work was to discover new hybrid molecules with properties of both flavonoids and isoxazoles in order to control carbohydrate digestion. Moreover, the trifluoromethyl group is a key entity in drug development, due to its strong lipophilicity and metabolic stability. Therefore, the present work describes the condensation of a previously synthesized trifluoromethylated flavonol with different aryl nitrile oxides, affording 13 hybrid molecules indicated as trifluoromethylated flavonoid-based isoxazoles. The structures of the obtained compounds were deduced from by 1H NMR, 13C NMR, and HRMS analysis. The 15 newly synthesized compounds inhibited the activity of α-amylase with an efficacy ranging from 64.5 ± 0.7% to 94.7 ± 1.2% at a concentration of 50 μM, and with IC50 values of 12.6 ± 0.2 μM–27.6 ± 1.1 μM. The most effective compounds in terms of efficacy and potency were 3b, 3h, 3j, and 3m. Among the new trifluoromethylated flavonoid-based isoxazoles, the compound 3b was the most effective inhibitor of α-amylase activity (PI = 94.7 ± 1.2% at 50 μM), with a potency (IC50 = 12.6 ± 0.2 μM) similar to that of the positive control acarbose (IC50 = 12.4 ± 0.1 μM). The study of the structure–activity relationship based on the molecular docking analysis showed a low binding energy, a correct mode of interaction in the active pocket of the target enzyme, and an ability to interact with the key residues of glycosidic cleavage (GLU-230 and ASP-206), explaining the inhibitory effects of α-amylase established by several derivatives

Heat transmission and air flow friction in a solar air heater with a ribbed absorber plate: A computational study

The influence of geometrical parameters of V-symmetry ribs on heat flow and fluid flow characteristics of solar air heater (SAH) rectangular duct with ribbed absorber is investigated theoretically. Fabrication of ribs in repeated artificial protrusions pattern on the absorber surface appears as a simple approach for increasing the solar collectors radiation harnessing capacity. The various characteristics of artificial roughness protrusions include relative roughness height (e/Dh), relative roughness pitch (p/e), and angle of attack of flow (α), and the span of these parameters is determined based on experimental considerations of the device and working circumstances. To measure the improvement in the coefficient of heat transfer and friction factor, the outcomes were correlated to those of a smooth conduit under identical flow characteristics. The greatest increase in Stanton number and friction factor is 1.13 and 1.19 folds that of the smooth SAH duct, correspondingly

Selective Naked-eyes Chemosensing of Cu2+ ions using Chitosan-CdS Quantum Dots Biohybrid

Cadmium sulfide (CdS) quantum dots (QDs) were homogeneously embedded into chitosan (CTS), denoted as CdS/CTS, via an in-situ solvothermal method. The intact structure of the synthesized materials was preserved via separating the materials using freeze-drying. The materials were characterized using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM), high-resolution TEM (HR-TEM), scanning TEM (STEM), dispersive energy X-ray (EDX) for elemental analysis and mapping, Fourier transform infrared (FT-IR), nitrogen adsorp-tion-desorption isotherms, thermogravimetric analysis, UV-Vis spectroscopy, and diffuse reflectance spectroscopy (DRS). The synthesis procedure offered CdS QDs with 1-7 nm (average particle size of 3.2 nm). The functional groups of CTS modulate the in-situ growth of CdS QDs and prevent the agglomeration of CdS QDs, offering homogenous distribution inside CTS. CdS/CTS QDs can also be used for naked-eye detection of heavy metals with high selectivity toward copper (Cu2+) ions. The mechanism of interactions between Cu2+ ions and CdS/CTS QDs was further studie