Search Results (1,079)

Background: Infections caused by the protozoan Trichomonas vaginalis affect millions of people worldwide and are responsible for one of the most common sexually transmitted diseases. Despite the efficacy of 5-nitroimidazoles like metronidazole, concerns regarding widespread resistance and the absence of viable alternatives for specific patient populations necessitate the development of structurally diverse pharmacological agents. In this study, we investigated the antiparasitic activity of 1,3-thiazolidin-4-one derivatives against T. vaginalis. Methods: Thiazolidines were synthesized via multicomponent reaction (MCR) using one-pot methodology and tested in vitro against the parasite and mammalian cell lines. Results: Seventy percent of the compounds showed more than 80% antiparasitic activity at 100 μM, with compounds 4a, 4b, and 4f exhibiting IC₅₀ ≤ 20 µM. None of the molecules exhibited cytotoxic against Vero CCL-81 and HeLa cells. Evaluation of the structure–activity relationship (SAR) indicates that the substituent at the nitrogen position of the heterocycle may be involved in the antiparasitic effect of these compounds. In silico studies also revealed that the three compounds possess adequate oral bioavailability and do not present mutagenic, tumorigenic or irritating risks. Finally, molecular docking predicted strong interactions of compounds 4a, 4b, and 4f with T. vaginalis enzymes lactate dehydrogenase and purine nucleoside phosphorylase; compound 4f also interacted with methionine Ƴ-lyase. Conclusions: These preliminary results suggest that 1,3-thiazolidin-4-ones are promising scaffolds for developing new trichomonacidal agents. Full article

Efficient conversion of biomass-based platform molecules into high-value derivatives is recognized as one formidable challenge in biomass upgrading. In this work, a one-pot deep eutectic solvents-assisted solvothermal method was developed for the modification of the commercial Pt/C catalysts by introducing a secondary metal (M = Sn, Bi, Ge, Sb, Pb). The structural and electronic properties of the catalysts were precisely tuned. Among the screened metals, the addition of Sn yielded the most significant improvement in catalytic activity. The optimized PtSn_0.5/C-140 catalyst achieved superior furfural (FAL) conversion and furfuryl alcohol (FOL) selectivity under mild conditions (20 °C, 2 MPa H₂). Comprehensive characterizations, including XRD, HRTEM, XPS, and H₂-TPD, confirmed the formation of Pt-Sn solid-solution phase. Furthermore, Characterization and reaction results revealed that the electronic and geometric effects induced by Sn modulated Pt active sites, significantly enhancing the adsorption of the active H species. Additionally, the SnO_x species adjacent to the Pt-Sn sites served as hydrogen spillover acceptors, further accelerating the hydrogenation process. The synergy between the Pt-Sn solid-solution phase and SnO_x species is identified as the origin of the superior performance at room temperature. These findings provide a new strategy for the design of high-performance biomass conversion catalysts by upgrading commercial noble metal catalysts. Full article

Al-rich NH₄-ZSM-5 with highly oriented crystals was directly synthesized through a one-pot hydrothermal technique, using ammonium nitrate as a metal-free mineralizer. The samples were characterized by XRD, N₂ adsorption–desorption, SEM, FTIR, Py-FTIR, ²⁷Al MAS NMR, ²⁹Si MAS NMR, ¹H MAS NMR, and TGA techniques. The impact of aluminum source, ammonium source, and H₂O/SiO₂ molar ratio was studied. XRD results showed that the ZSM-5 catalyst with a low Si/Al ratio (13) was successfully synthesized without any amorphous phase, including a microporous/mesoporous structure. A low H₂O/SiO₂ molar ratio (75) resulted in coffin-shape surface morphology, large b-axis-oriented particles (ca. 19 µm), and high specific surface area (>300 m² g⁻¹), providing a large portion of straight channels (90.5%). The catalytic activity of the catalysts was evaluated in the CO₂ hydrogenation reaction in tandem configuration with a Na/Fe₂O₃ catalyst. The results confirmed that highly b-oriented crystals improved the product shape selectivity to p-xylene by affecting the diffusion resistance. Therefore, the developed catalyst provided high CO₂ conversion (45%) and high aromatic selectivity (77%), with p-xylene accounting for 82% of the produced xylene compounds, over a long-term time on stream (17 h). These results demonstrate the effectiveness of the direct synthesis strategy in producing Al-rich ZSM-5 catalysts with tailored textural and acidic properties for tandem and shape-selective catalysis. Full article

Hydrogenases are key enzymes in microbial energy metabolism, catalyzing the reversible conversion between molecular hydrogen and protons. Among them, [NiFe]-hydrogenases are particularly attractive for biocatalytic applications due to the oxygen tolerance of several members of this class and their ability to couple hydrogen oxidation with redox cofactor regeneration. In this study, a recombinant soluble [NiFe]-hydrogenase from Cupriavidus necator H16 was successfully expressed in Escherichia coli BL21 (DE3), purified, and characterised with a focus on its applicability for NAD⁺ regeneration. Unlike previous studies that primarily used native C. necator extracts or complex maturation systems, this work provides the first quantitative demonstration that an aerobically purified recombinant soluble [NiFe]-hydrogenase expressed in E. coli can function effectively as an NAD⁺ regeneration catalyst and operate within multi-enzymatic cascade reactions under application-relevant conditions. The crude recombinant enzyme displayed a volumetric activity of 0.273 ± 0.024 U/mL and a specific activity of 0.018 ± 0.002 U/mg_cells in the hydrogen oxidation assay, while purification yielded a specific activity of 0.114 ± 0.001 U/mg with an overall recovery of 79.2%. The enzyme exhibited an optimal temperature of 35 °C and a pH optimum of 7.00. Thermal stability analysis revealed rapid deactivation at 40 °C (k_d = 0.4186 ± 0.0788 h⁻¹, t_1/2 ≈ 1.7 h) and substantially slower deactivation at 4 °C (k_d = 0.1141 ± 0.0139 h⁻¹, t_1/2 ≈ 6.1 h). Batch NADH oxidation experiments confirmed efficient cofactor turnover and high specificity towards NADH over NADPH. Finally, integration of the hydrogenase into a one-pot two-enzyme glucose oxidation system demonstrated its capacity for in situ NAD⁺ regeneration, although the reaction stopped after approximately 5 min due to acidification from gluconic acid formation, highlighting pH control as a key requirement for future process optimization. Full article

Pestasulfamides A and B are phenylbenzene-sulfonamides with an eight-membered dilactam, produced by mangrove endophytic fungus Pestalotiopsis sp. HNY36-1D. In bioassay, pestasulfamide A (1) exhibited potent anti-acetylcholine esterase (AChE) activities with an IC50 value of 11.94 μM, offering new pharmacophores with relevance to anti-Alzheimer’s disease drug discovery. Although the dimerization reaction of anthranilic acid derivatives forges an dibenzodiazocin-2,6-dione framework, the application of the dimerization to total synthesis of pestasulfamides A (1) and B (2) has not yet been realized. Herein, the first total synthesis of pestasulfamides A and B was achieved through one-pot protocol. The key step features a sulfonylation-induced iminoketene dimerization of anthranilic acid in a pyridine/THF system. Full article

Novel copper(II) coordination compounds with hemiaminal N,O-donor ligands were obtained and synthesized in a one-pot reaction from three appropriate substrates (aldehyde, amine, and copper(II) chloride) in methanol. A dinuclear complex with a [Cu₂Cl₂(hemiaminal)₂(amine)₂] coordination mode was obtained. The complex consists of two five-coordinated central Cu(II) cations with square pyramidal geometry and C_i molecular symmetry. The hemiaminal oxygen atom forms a bridge between the two metallic centers, and that coordination bond is a factor stabilizing these hemiaminal moieties, generally regarded as unstable intermediates. We analyzed the energetic and physicochemical properties of the [Cu₂Cl₂(hemiaminal)₂(amine)₂] complex using density functional theory (DFT). First of all, we predicted the geometrical parameters, molecular electrostatic potential, HOMO and LUMO energies, and reactivity indices to indicate the free radical scavenging capacity. Based on the topological analysis of charge densities, we also characterized the properties of hydrogen bonds. Moreover, the antimicrobial properties of the complex were investigated, and it exhibited the highest activity against Gram-positive bacteria and Candida albicans. Full article

Shiga toxin-producing Escherichia coli (STEC) is a major foodborne pathogen, responsible for severe gastrointestinal disease and hemolytic uremic syndrome (HUS). Here, we report Click Detect, a novel diagnostic platform that leverages click display to efficiently produce sensing probes for sandwich-style antigen detection. Click display is an in vitro protein display technology that generates uniform and covalently linked protein–cDNA conjugates in a simple one-pot reaction format within 2 h. The captured sensing probe can be quantified by standard nucleic acid amplification assays. Using click displayed DARPin (D_#20) as the sensing probe and a high-affinity nanobody (N_G1) as the capture reagent, Click Detect reliably detected Shiga toxin 2 (Stx2) at 600 fM by quantitative PCR (qPCR) and 6 pM by loop-mediated isothermal amplification (LAMP). The assay maintained comparable sensitivity in matrices containing up to 40% public swimming pool water or lettuce extract, highlighting robustness for real-world surveillance applications. Key advantages of Click Detect include simple, rapid, and cost-effective (~USD 0.04 per assay) sensing probe preparation, as well as a versatile plug-and-play probe format for detecting other targets. We believe that Click Detect has great potential as a novel sensing platform for food/environmental monitoring and point-of-care diagnostics, with potentially broad applicability to other toxins and protein targets. Full article

Environmental and economic concerns due to the increasing use of fossil-based chemicals, especially fuel, may be alleviated by production of renewable fuels based on plant biomass, in particular, waste. Multistep cascades of enzymatic reactions are being increasingly sought to enhance the effectiveness of sustainable, environment-friendly processes. The biochemical transformation of lignocellulosic biomass and oils into fatty acid esters (“biodiesel”) involves biomass pretreatment, followed by polysaccharide hydrolysis and sugar fermentation to alcohol, either sequentially or simultaneously. Subsequent trans-esterification with waste or non-food-based oils is usually carried out in an organic solvent. Biocatalysis in aqueous emulsion offers significant advantages. This study presents a novel “one-pot” emulsion-based process for transforming unmodified cellulose and castor oil into biodiesel via hybridized yeasts with cellulose-coated micro-particles incorporating cellulolytic enzymes and lipases. The resultant consolidated bioprocess of saccharification, fermentation, and transesterification (cSFT) promotes effective substrate channeling and can potentially serve as a model for emulsion-based “one-pot” transformations of cellulose into valuable chemicals. Full article

Aspartic acid (ASP) and its derivatives are eco-friendly and cost-effective scale inhibitors but exhibit limited corrosion inhibition in acidic media. To enhance their performance against acid corrosion, a facile, purification-free one-pot aqueous reaction was developed to synthesize an L-ASPME/GA hybrid inhibitor from L-aspartic acid β-methyl ester (L-ASPME) and glutaraldehyde (GA). The resulting inhibitor solution was directly introduced into a 0.5 M H₂SO₄ pickling solution to achieve synergistic corrosion inhibition for Q235B steel. The corrosion inhibition performance was systematically evaluated using weight loss tests, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and contact angle measurements, with temperature effects also assessed. The results demonstrate that the L-ASPME/GA hybrid, particularly at molar ratios of 2:3–4:1, achieves 90.7%–96.1% inhibition efficiency, significantly outperforming L-ASPME or GA alone. Notably, the 2:3 L-ASPME/GA hybrid shows superior high-temperature acid corrosion resistance versus single components. This synergistic effect is attributed to a co-adsorption mechanism, forming a compactly oriented, thermally robust film driven by hydrogen-bonding networks, Fe²⁺ coordination, and electrostatic attraction. These findings offer a practical strategy to improve the acid corrosion resistance of ASP–like inhibitors. Full article

Herein, we report an efficient one-pot synthesis of bridged aminodiperoxides via a three-component reaction of 1,5-diketones with geminal bishydroperoxides and ammonium acetate. The synthesized aminodiperoxides are stable despite containing an unprotected secondary NH-group adjacent to two peroxide functionalities. Under optimal conditions, the reaction affords aminodiperoxides in high yields (up to 88%) with outstanding selectivity and high atom economy, thereby eliminating the need for column chromatographic purification. The synthesized aminodiperoxides exhibit potent cytotoxicity and remarkable selectivity toward Jurkat, K562, and A549 cancer cell lines, and are significantly superior to the clinically used anticancer agent camptothecin. Among all tested compounds, 3ec is the most promising candidate, exhibiting high activity and selectivity toward all tested cell lines (Jurkat: CC₅₀ = 12.9 µM, SI = 67.09; K562: CC₅₀ = 19.6 µM, SI = 44.28; A549: CC₅₀ = 48.2 µM, SI = 17.98). Furthermore, a novel class of fungicidal compounds has been discovered. The aminodiperoxides exhibit fungicidal activity against phytopathogenic fungi, in some cases comparable to the commercial fungicide Triadimefon. Full article

Carbohydrates are essential constituents of numerous biological systems, playing key roles in fundamental processes such as cellular recognition and immunological responses, while also offering significant potential in medical diagnostics and pharmaceutical development. However, the structural complexity of naturally occurring carbohydrates-characterized by heterogeneous glycosylation patterns and diverse branching architectures-poses considerable challenges in the isolation and preparation of homogeneous oligosaccharide samples. Recent advances in synthetic chemistry have led to substantial progress in carbohydrate synthesis, with modern glycosylation methodologies achieving improved stereochemical control and enhanced reaction efficiency, thereby enabling the precise and programmable construction of biologically relevant oligosaccharides. This review provides a systematic evaluation of six major strategies for oligosaccharide assembly: One-pot synthesis strategy, orthoganal protection strategy, preactivation strategy, linear and convergent block strategy, programmable one-pot synthesis strategy, and solid-phase synthesis strategy. For each strategy, we examine the key technological innovations, representative applications, and current limitations. Furthermore, the review discusses emerging trends in the field, emphasizing the transformative role of intelligent automation and machine learning in accelerating the discovery and synthesis of complex carbohydrates. Full article

Neglected tropical diseases (NTDs) remain a significant global health burden, exacerbated by the ongoing climate emergency, which alters disease distribution and increases vulnerability in affected populations. The urgent need for novel therapeutics demands innovative approaches in drug discovery, with heterocyclic compounds serving as versatile scaffolds due to their diverse electronic and structural properties that enable potent biological activity. This review highlights how green chemistry principles have been applied to the construction of bioactive heterocyclic cores relevant to NTD drug development. Key sustainable methodologies are discussed, including microwave-assisted solvent-free and green-solvent reactions, ultrasound-assisted synthesis, mechanochemical one-pot multistep strategies, and the use of ionic liquids and deep eutectic solvents as environmentally benign catalysts and reaction media. By focusing on these approaches, the review emphasizes how green synthetic strategies can accelerate the development of pharmacologically relevant heterocycles while minimizing environmental impact, resource consumption, and hazardous waste generation. Full article

This work describes the straightforward synthesis of a novel heterogeneous palladium catalyst immobilized on magnetic Janus-type silica particles coated with an amphiphilic ionic liquid (IL) layer. The material was prepared via a one-pot process wherein TEOS (tetraethoxysilane) and a bis(triethoxysilane) IL precursor are combined to form hollow shells. The IL motifs are selectively located on the outer surface of the hollow particles and serve as centers for the immobilization of palladium species on the material’s surface. The outer surface also hosts magnetic nanoparticles in close proximity to the palladium sites. Thanks to the uniform coverage of the surface with the amphiphilic IL functionality, the material exhibits a well-balanced wettability with reaction components of different polarities. The catalyst’s activity was tested in the Sonogashira cross-coupling reaction of terminal acetylenes and iodobenzene derivatives in water as the solvent. The results show that the mixed palladium–iron oxide catalyst exhibits higher activity than materials containing either immobilized palladium or iron oxide alone, suggesting a synergistic effect in this reaction. Additionally, the reaction proceeds well in the absence of expensive organic ligands and commonly employed additives such as copper co-catalysts or phase transfer catalysts. Furthermore, the material was also used in the oxidative Sonogashira coupling reaction of phenylboronic acid and phenylacetylene. The catalyst can be easily separated using an external magnet and can be reused several times. The feasibility of producing diphenylacetylene on a gram scale via the Sonogashira cross-coupling reaction was also investigated. Full article

A thiazole–thiophene derivative, (E)-4-(2-(2-(1-(5-chlorothiophen-2-yl)ethylidene)hydrazinyl)thiazol-4-yl)benzonitrile (CTHTBN), was synthesized via a one-pot multicomponent reaction involving 5-chloro-2-acetylthiophene, thiosemicarbazide, and 4-(2-bromoacetyl)benzonitrile. The synthesized compound was characterized by FT-IR, ¹H NMR, and ¹³C NMR spectroscopy, confirming the formation of the title compound. Density Functional Theory (DFT) calculations at the B3LYP/6-311G(d,p) level were performed to explore the electronic structure and reactivity of CTHTBN. The HOMO and LUMO energies were found to be −5.75 eV and −2.03 eV, respectively, with an energy gap (E_g) of 3.72 eV, suggesting a balanced chemical stability and reactivity. The dipole moment of 7.9381 Debye indicated substantial polarity, favorable for biological interactions. Global reactivity descriptors, including chemical hardness (η = 1.86 eV), chemical softness (σ = 0.5376 eV⁻¹), electronegativity (χ = 3.89 eV), electrophilicity index (ω = 4.07 eV), and maximum charge transfer capacity (ΔN_max = 2.09), further supported the molecule’s electronic competence. Molecular docking against M. tuberculosis CYP51 revealed a strong binding affinity (−8.8 kcal/mol), stabilized by π–sulfur contacts with MET79 and PHE83, π–π stacking with TYR76, and π–π T-shaped interactions with PHE83 and the heme cofactor. Additional π–alkyl interactions with LEU321, ALA325, and the heme group reinforced hydrophobic complementarity, confirming efficient accommodation of CTHTBN in the active site. These findings suggest that CTHTBN holds promising potential as an antimycobacterial agent targeting CYP51 and may be explored in future biological studies. Full article

Fused polycyclic 1,7-naphthyridines are important N-heterocyclic scaffolds with potential applications in medicinal chemistry and materials science. Conventional methods for their synthesis often require harsh conditions or multiple steps, limiting functional group compatibility and scalability. Herein, we report a one-pot silver-catalyzed cyclization strategy that proceeds under mild conditions, tolerates diverse functional groups, and is amenable to gram-scale synthesis. The reaction features a simple workup involving celite filtration and standard purification. Preliminary studies indicate that these N-heterocycles exhibit promising photophysical and medicinal properties, highlighting their potential in light-emitting devices and therapeutic development. Full article