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A series of (4-(trifluoromethyl)benzyl)-linked 1,9-diazaspiro[5.5]undecane derivatives were designed as α-glucosidase inhibitors. We have synthesized new (4-(trifluoromethyl)benzyl)-linked 1,9-diazaspiro derivatives for their antidiabetes properties. The newly synthesized compounds were examined for their inhibition activity against α-glucosidase. The findings demonstrated that the novel synthesized compounds inhibited significantly against α-glucosidase. Among them, SPO-7 and SPO-9 demonstrated the most potent inhibition, with IC₅₀ values of 49.96 and 63.15 nmol, respectively. Docking studies examined the orientation, interaction, and verification of the intent compounds on the active site of α-glucosidase. The compounds SPO-7 and SPO-9 exhibit the highest docking energies, with values of −10.7 and −10.6 kcal/mol, respectively. In addition, the compound SPO-7 exhibited substantial inhibition effects at all tested concentrations and their capacity to inhibit the bacterial activity against Escherichia coli and Bacillus cereus. The minimum inhibitory concentration (MIC) values for SPO-7 and SPO-11 were determined to be 0.156 mg/mL. Furthermore, computational drug-likeness/ADME/toxicity tests were conducted on the compounds, which indicated that this compound exhibits drug-like properties and possesses favorable ADME and toxicity profiles.

In this investigation, meso-substituted one-walled phthalimide appended calix[4]pyrrole (mPth–C4P) was prepared from pthalimide functionalized dipyrromethane (DPM, 4), acetone, and freshly distilled pyrrole via both conventional as well as green protocols utilizing the deep eutectic solvent (DES) of N,N'-dimethyl urea (DMU) & l-(+)-tartaric acid (TA) in an appropriate ratio of 7:3. In order to lessen the nitrate (NO₃⁻) ion endowed eutrophication peril, the mPth–C4P was effectively employed as a supramolecular adsorbent for the sequestration of NO₃⁻ ion from aquatic phase. The mPth–C4P was extensively characterized by FTIR, ¹H-NMR, SEM–EDX, and elemental mapping to corroborate the synthesis and adsorption of NO₃⁻ ion. The surface area was found to be 11.465 m² g⁻¹ and the pore size of 3.2 nm, pointed out to the mesoporous nature of mPth–C4P. Batch methodology was exploited for detailing the influence of process parameters on %efficiency and adsorption capacity. The mPth–C4P demonstrated excellent adsorption competence (> 91%) within 16 min from a [NO₃⁻] of 20 mg L⁻¹, which translates into a good pseudo-second order rate constant value of 0.026 g mg⁻¹ min⁻¹. Freundlich model was the best-fit model pointing out multilayer adsorption. The maximum saturation capacity was 239.03 mg g^‒1 at 298 K, which is far better than most of the reported adsorbents indicating the potential of mPth–C4P to confiscate NO₃⁻. The dynamics appraisal elucidated pseudo-second order to favor the uptake with both intraparticle and liquid film diffusion models governing the rate of reaction. Thermodynamic parameters suggested that the uptake of NO₃⁻ was spontaneous, favorable, and exothermic which is in harmony with the isotherm studies. The mPth–C4P can be used consecutively up to 4 cycles along with good potential in real water > 80% uptake. All these results established mPth–C4P as an efficacious scavenger for NO₃⁻ from simulated water.

In the present theoretical study, the thermochemical properties of Ph(O₂^•)C(OH)PhOH and considered products of its oxidation are calculated using the DFT approaches (M062X, B3LYP, wB97XD, M08HX, MN15) at the 6−311++G(d, p) level of theory. The DFT values of Δ_raH^o(Y_i) of the atomization of considered structures are corrected using the linear calibration dependencies reported for the peroxides as well as for the hydrocarbons (including aromatic and simple oxygenated compounds). The values of Δ_fH^o(Y_i, CORR) ± 3SD_i, derived from the corrected values of Δ_raH^o(Y_i, CORR), are coordinated by the intersection of their 3SD_i intervals, determined previously. The values of Δ_fH^o(Y, MEAN) ± 2SD_Y of the Ph(O₂^•)C(OH)PhOH (2F), Ph^•─OO─C(OH)PhOH (3G), HOPh^•─OO─C(OH)Ph (2G), PhC(OH)₂PhOH (1H), Ph(O₂H)C(OH)PhOH (4G) and Ph(O^•)C(OH)PhOH (1G) (corresponded, respectively, to −159.4 ± 6,−55.2 ± 6,−61.5 ± 3.7,−385.8 ± 6,−293.4 ± 1.4,−148.9 ± 6 kJ/mol), as well as the values of E_a^‡ = 127.8 ± 7, 121.2 ± 8, 17.2 ± 5, 19.4 ± 3 kJ/mol, determined, respectively, for the reactions (R21a), (R21b), (R22a), (R22b) and the values of the rate constants of associated reactions, are reported for the first time. According to calculations, the replacement of >C^•H by OH group increases the values of dissociation energy (DE) of >C(X)─O₂^•, >C(X)O─O^•, >C(X)O─H, PhC(X)OO─^•PhOH, and HOPhC(X)OO─^•Ph bonds, but decreases those values of >C(X)O₂–H, HOPhC(X)^OO•Ph, and PhC(X)^OO•PhOH bonds. As a result of increased stability of the >C(X)─O₂^• bond (X = OH), the higher temperatures can be used for the chain production of p-PhC(O₂H)HPhOH and p-PhC(O₂H)(OH)PhOH at high concentrations of p-PhCH₂PhOH. On the contrary, the contribution of reactions (R21a) and (R21b) to the oxidation is significant under low concentrations of p-PhCH₂PhOH. Its also found that the stable intermediate O₂ π–π cluster, predicted for the >C^•(H) radical, is not observed for the reaction of >C^•(OH) with O₂, due to the formation of a hydrogen bond between the OH group and partially charged O₂^δ−.

The reaction of 1,1,1,3,3,3-hexafluorobut-2-yne (1) (HFB) with diethyl hydrogenphosphonate (2) was investigated under various conditions by promotion with transition metal catalysts, under heating without catalysts and by tert-amine catalysis. In all cases, double addition was the predominant reaction forming bis(phosphonic) acid esters 3, which were then converted to the corresponding acids 8 and salts 9. Compounds 3, 8, and 9 containing two chiral carbon atoms and three types of substituents exist as mixtures of diastereomers in the meso and dl forms, which can undergo epimerization. The mono adduct 4 was extremely unstable and capable of telomerization under rhodium complex catalysis or heating at 150 °C in catalyst free conditions. Isolated telomer 5 (n = 2) was characterized by X-ray crystallography and NMR method. Dephosphorylation of phosphonate 5 by Me₄NF occurred quantitatively to give, unexpectedly, internal salt of pyrrolidine 12 containing four trifluoromethyl substituents.

Protonation of DMAD MeO₂C−C≡C−CO₂Me in the Brønsted superacid CF₃SO₃H (triflic acid, TfOH) gives rise to stable O,O-diprotonated species MeO(⁺HO═)C−C≡C−C(═OH⁺)OMe according to NMR data and DFT calculation. This cation reacts with arenes ArH at room temperature for 0.3-1 h with a stereoselective formation of the corresponding trans-dimethyl arylfumarates E-MeO₂C−C(Ar)═CH−CO₂Me, as products of hydroarylation of the DMAD acetylene bond. Increasing the reaction time leads to further, deeper inter- and intramolecular transformations of dimethyl arylfumarates with arenes, resulting in various compounds, indenes, indenones, and indanones, that depend on the nucleiphilicity of arenes and reaction time. Plausible mechanisms of multistep cationic transformations of DMAD with arenes in TfOH are discussed.

MXene, a novel 2-D material known for its exceptional conductivity and high hydrophilicity, holds significant promise in advancing supercapacitor technology. However, its layered structure tends to self-stack, hindering ion transport and limiting its specific capacitance. In this paper, nickel cobalt sulfide (NCS)/MXene self-assembled microspheres were prepared by a simple hydrothermal method. The introduction of NCS effectively mitigates MXene from self-stacking, while providing abundant electrochemical active sites that enhance its performance. NCS/MXene demonstrates an exceptional specific capacitance of 2544.1 F g⁻¹ at 1 A g⁻¹, surpassing the specific capacitance of both pure MXene and NCS. Moreover, it exhibits outstanding stability, maintaining 96% of its capacity after 5000 cycles. When assembled into asymmetric supercapacitors, the device achieves a high energy density of 43.2 Wh kg⁻¹ at a power density of 768.1 W kg⁻¹. This work provides a simple and reliable method for the development of sulfide/MXene composite electrode materials for supercapacitors.

A facile, mild, effective, and multicomponent protocol for the production of 4‑phosphorylated-4H‑chromenes through an aldol condensation, Michael addition, and cyclization was established. The C─C, C─P, and C─O bonds were constructed during the reaction to produce the desired product from 2-hydroxybenzyl alcohols. The synthesized compounds were characterized by standard techniques. The important features of this protocol are operational simplicity, moderate reaction conditions, the use of a low-cost iron complex, and high atom economy.

The hydrogen economy provides an alternative energy source that can be adopted for a long period. One of its key components is an efficient storage system, which has become a topic of significant research interest to meet the energy goals set by the US Department of Energy (DOE). The US DOE outlines the criteria for suitable hydrogen storage materials, which include cost-effectiveness (specifically $300/kg H₂ by 2025 and ultimately $266/kg H₂), moderate operation temperatures (233–358 K), high storage capacity (5.5 wt% 40 g/L 2025, 11 wt%, 79 g/L ultimate), efficient adsorption/desorption cycles, as well as long lifetime operation (1500 cycles). Nanomaterials, particularly porous hollow carbon nanospheres (PHCNs), have attracted considerable attention due to their high storage capacity and unique characteristics, such as high surface area, tunable pore size, and superior kinetics. As a result, PHCNs may help to increase the hydrogen storage capacity of the solid-state hydrogen storage systems. This paper offered an in-depth analysis of the applications of PHCNs in hydrogen storage, comprising their synthesis, characterization methods, infiltration techniques, and the recent progress on the catalytic effects of the materials concerning hydrogen storage. The review concluded with a suggestion for future studies to increase the storage capacity of PHCNs in solid-state hydrogen storage systems comprehensively, as it represents a pivotal step toward a hydrogen-based economy, promoting energy security, and carbon-neutral energy cycles.

In this study, a cobalt-mediated approach toward the synthesis of iodinated imidazo-fused heterocycles employing molecular iodine as an iodine source, and 1,2-DCB as the sovent at 120 °C has been documented. An assortment of iodinated imidazo[1,2-a]pyridines were acquired in moderate to good yields (71%–84%) by using 2-aminopyridines and substituted styrenes as initial materials. This fine-tuned protocol has also been broadened with acetophenones in moderate to good yields (66%–90%). This protocol provides a straightforward pathway for the synthesis of iodoimidazo[1,2-a]pyridines. Iodoimidazo[1,2-a]pyridine was further derivatized to 2,3-diphenylimidazo[1,2-a]pyridine, an important biologically active molecule, with phenylboronic acid or simple benzene. Additionally, the gram scale reaction shows the high industrial applicability of the protocol.

This study reports the synthesis of the novel statistical copolymers comprising of n-butyl vinyl ether, BVE, and 2-phthalimidylethyl vinyl ether, PEVE, via a nonconventional cationic polymerization technique involving activated zirconocene complexes. Initially, the research was focused in finding the best experimental conditions to obtain the statistical copolymerization of the two monomers, utilizing bis(η⁵-cyclopentadienyl)dimethyl zirconium, Cp₂ZrMe₂, in conjunction with tetrakis(pentafluorophenyl)borate dimethylanilinium salt [B(C₆F₅)₄]^–[Me₂NHPh]⁺, as the initiation system. The statistical analysis of the P(BVE-co-PEVE) products, along with the calculation of the monomers’ reactivity ratios via various linear graphical methods and the COPOINT program demonstrated that an azeotropic copolymerization occurred in toluene at 25 °C. Regarding the thermal analysis, the glass transition temperatures, T_g, were determined by differential scanning calorimetry, DSC, and were subsequently correlated with a number of theoretical models, thereby enabling the prediction of these T_g values. The thermal stability of the copolymers was investigated by means of thermogravimetric analysis, TGA, and differential thermogravimetry, DTG, at six distinct heating rates. The derived data were processed within the framework of the Ozawa–Flynn–Wall, OFW, and Kissinger–Akahira–Sunose, KAS, methodologies in order to study the kinetics of thermal decomposition. Finally, the PEVE-based copolymers were subjected to basic hydrolysis, resulting in the formation of the corresponding copolymers of BVE and 2-amino-ethyl vinyl ether, AEVE, which were also studied by TGA and DTG analysis. These materials can be further employed for further chemical transformations and the synthesis of more complex macromolecular architectures and, as amphiphilic and biocompatible compounds are possible candidates for the biomedical applications.