Search Results (1,301)

Curcuminoids from Curcuma longa L. (curcumin, demethoxycurcumin, bisdemethoxycurcumin) are attractive bioactives yet constrained by low water solubility and chemical instability. Herein, we introduce a Supramolecular Deep Eutectic Solvent (SupraDES) as a “Janus” green platform, combining extraction and stabilization with a subsequent solvent-to-material strategy. Eight NaDES/SupraDES formulations based on choline chloride (ChCl) or betaine with glycerol (Gly) or citric acid (CitA), with/without β-cyclodextrin (βCD), were assessed. The extinction coefficients of the most promising solvents were extrapolated at 425 nm for the UV–vis quantification of curcuminoids, to determine extraction performance. The SupraDES ChCl:Gly:βCD gave the best performance during the first solvent screening, improving at the same time the bioactive stability (after 30-day, 47.5% loss vs. 62.8% of ChCl:Gly alone). Subsequent microwave-assisted extraction (MAE) optimization identified 80 °C as the optimal process temperature, with near-equilibrium reached within 15 min (3139.4 µgCurc/gEXT). Peleg modelling (R² = 0.997) indicated a fast extraction rate and limited benefit from longer residence times. Finally, the curcuminoid-loaded SupraDES was incorporated into polyvinyl alcohol (PVA) networks crosslinked with CitA and 2,5-bis(hydroxymethyl)furan (BHMF); thermal analysis confirmed the formation of a stable crosslinked structure. To the best of our knowledge, this is the first report of a βCD-based SupraDES acting as a Janus platform that couples supramolecular extraction of lipophilic bioactives with their direct incorporation into bio-based polymeric materials, exemplifying an integrated green chemistry approach aligned with circular bioeconomy principles. Full article

A thermoreversible dynamic covalent network was constructed in recycled polyethylene terephthalate (RPET) via Diels–Alder (DA) chemistry to enhance mechanical performance, reprocessability, and self-healing. Furan-functionalized RPET (RPET-3F) was first prepared from maleated RPET (RPET-MA), followed by crosslinking with bismaleimide (BMI) at different feed ratios. FTIR spectra confirmed the successful grafting of furan groups and the formation of DA adducts. With increasing BMI content, the gel fraction and crosslink density increased substantially, whereas the swelling ratio decreased, indicating the progressive development of a three-dimensional network. RPET-3F-2B showed the highest network integrity among all samples. DSC analysis revealed a distinct retro-DA dissociation peak at 143 °C and a recrosslinking peak near 124 °C, confirming the thermal reversibility of the DA network. Owing to the optimized network structure, RPET-3F-2B exhibited the best mechanical properties and excellent reprocessability, retaining stable performance after three hot-pressing cycles. After repeated reprocessing, its tensile strength remained 74% higher than that of RPET-MA, while the elongation at break was still improved by about 10%. Moreover, the sample showed efficient thermally induced self-healing at 150 °C, with surface cracks nearly disappearing after 4 h. These results demonstrate that DA chemistry offers a promising route to the high-value reutilization of RPET into recyclable, multifunctional polymer materials. Full article

We report the synthesis, characterisation and electronic modulation of three novel fused polyheterocyclic ligands—naphtho[1,2-b]furan-4,5-dione (1), furo[3′,2′:3,4]naphtho[1,2-d]imidazole (2), and benzo[a]furo[2,3-c]phenazine (3)—and their Cu(II), Zn(II) and Fe(II/III) complexes. Compound (1) was isolated at 96.5% yield using fulvic acid as a green organocatalyst. ⁵⁷Fe Mössbauer spectroscopy identified two high-spin Fe(III) environments in a 37:63 ratio (δ = 0.377 mm s⁻¹; Δ = 0.62 and 1.01 mm s⁻¹), with no evidence of magnetically ordered oxide phases. Six enantiomeric metal malate salts were synthesised at 86–93% yield for spectrophotometric titrations. The key finding is a striking Cu(II)-specific enantioselective molecular recognition: (3) binds (S)-(−)-malate Cu(II) with log K = 9.02, a factor of 2.5× higher than the (R)-(+)-malate complex (log K = 8.62), while Fe(II) and Zn(II) show no enantioselectivity. These results establish chiral counter-ion engineering combined with π-conjugated polyheterocyclic scaffolds as a powerful strategy for chiroptical sensing and asymmetric catalysis. Full article

Hydrothermal liquefaction (HTL) is a promising route for converting wet biomass into bio-oil, but isolated model-component results do not necessarily describe naturally integrated lignocellulosic matrices. Here, lignin, cellulose, and hemicellulose were examined under subcritical HTL conditions (240–320 °C, 5–60 min, and water-to-biomass ratios of 2:1–20:1), and peanut shell and bamboo were used as two representative real feedstocks. At 300 °C and 30 min, lignin gave the highest bio-oil yield (45.36 wt%) and an oil enriched in phenolic compounds (>80% relative GC-MS peak area), whereas cellulose and hemicellulose gave lower oil yields (23.00 and 13.06 wt%, respectively) and larger aqueous-phase fractions. Oil-phase carbon and energy recoveries followed the order lignin (48.2% and 50.5%) > cellulose (32.4% and 35.9%) > hemicellulose (17.7% and 19.2%). A weighted additive reference constructed from the independent model-component results underpredicted phenolics and overpredicted carbohydrate-derived oxygenates in the real-biomass oils. For peanut shell and bamboo, the measured phenolic fractions were 68.85% and 64.11%, compared with additive-reference values of 47.66% and 34.17%, while the measured furanic fractions were 1.27% and 9.76%, compared with 12.12% and 17.88%. These directionally consistent deviations indicate non-additive product redistribution in the tested real-biomass samples. Full article

This study aims to investigate the performance and mechanism of N′-[(E)-phenylmethylidene] furan-2-carbohydrazide (FNH), a hydrazone Schiff base, as a corrosion inhibitor for carbon steel in 1.0 M HCl. The research was conducted by coupling electrochemical testing (Tafel analysis and Impedance spectroscopy) with surface characterization (SEM and AFM) and advanced computational tools, including quantum-chemical modeling and classical molecular dynamics (MD) simulations. Tafel analysis revealed that FNH acts as a mixed-type inhibitor, concurrently slowing iron oxidation and hydrogen reduction. Impedance data showed that the Faradaic resistance grew monotonically with FNH dosage, reaching 95% protection at 1 × 10⁻⁴ M. Fitting the results to the Langmuir model indicated a joint physical–chemical anchoring pathway, further confirmed by SEM/AFM inspection which disclosed a uniform organic deposit. Quantum-chemical modeling revealed that protonated species broaden the molecule’s capacity for bidirectional electron exchange, while MD simulations on the Fe (110) slab confirmed a flat-lying geometry that maximizes heteroatom–metal contact. The consistency between laboratory observables and atomic-scale predictions provides a detailed, mechanism-oriented picture of how this organic protective layer curtails acid corrosion. Full article

The chemical composition and sensory profile of coffee are influenced by brewing method, namely extraction pressure, temperature, contact time, and equipment. This study compared coffee prepared with a traditional moka pot, a conventional espresso machine, and a novel Italian device (Kamira). Volatile compounds were analyzed by headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography–mass spectrometry (GC–MS), leading to the determination of furan (34–42%), pyrrole (4–10%), and pyrazine (13–14%) derivatives. The most abundant fatty acids were palmitic (36–37%), linoleic (40%), and oleic (11%) acids. Physicochemical parameters (total solids, pH, and refractive index) were also measured. Caffeine and chlorogenic acids were quantified by liquid chromatography (HPLC). Differences in chlorogenic acids and volatile compounds were associated with variations in bitterness, acidity, astringency, and aroma intensity. Finally, a trained panel performed sensory evaluation to evaluate the olfactory and flavor attributes of the three types of coffee brews. Significant differences emerged among brewing systems. Espresso showed the highest caffeine content (55.3 ± 4.1 mg/100 g) and total solids (2.61 ± 0.11 g/100 g), together with a stable crema and intense sensory attributes. Moka coffee exhibited a rich aromatic profile but limited crema. The Kamira device produced an abundant crema and a chemical profile partially comparable to espresso. These findings confirm that brewing technology markedly affects coffee composition and sensory perception. Full article

Present research is focused on the preparation and characterization of bio-based polymer blends intended for sustainable food-packaging applications, starting from poly(butylene 2,5-furanoate) (PBF), characterized by very good barrier performance but quite high mechanical rigidity. In order to further improve gas permeability and increase its ductility, binary blends were prepared, combining PBF with varying amounts of poly(pentamethylene furanoate) (PPeF), another furan-based polyester with outstanding mechanical flexibility and gas barrier properties. The resulting materials were processed into compression-molded films and investigated through molecular, morphological, structural, thermal, and mechanical analyses. Blending turned out to be the winning tool in order to keep the high thermal stability of the reference homopolymers, increasing, at the same time, mechanical ductility and further lowering the permeability to oxygen and carbon dioxide compared to those measured for neat PBF. All these results were achieved without the use of any compatibilizer. Lastly, in order to test the end of life of these materials, composting studies were carried out, revealing a higher degree of weight loss for the blends compared with PBF homopolymer. Full article

This article focuses on the research and development of innovative polymer-concrete composites for the manufacture of precision machine tool frames and critical mechanical engineering components. The relevance of this work stems from the need to replace traditional cast iron and cement concrete with materials with superior damping properties and thermal stability. The polymer matrix used in this study was ED-20 epoxy-diane resin, modified with (FAM) furan resin and cured with polyethylenepolyamine (PEPA), which together ensured minimal linear shrinkage (less than 0.5–1%) during polymerization. The focus was on the effect of multimodal filler distribution, including quartz sand, gabbro, and basalt, as well as reinforcing additives such as silicon carbide and fiberglass, on the final performance characteristics of the material. Experimental studies determined the key physical and mechanical parameters of the obtained samples. The results showed that the optimized composition (Smp_001) exhibited compressive strength up to 92.3 MPa, significantly exceeding that of standard high-strength concrete. It was established that the use of silicon carbide and glass fiber promotes the formation of a dense heterogeneous microstructure characterized by extremely low porosity (1.2–2.5%) and record-low water absorption (less than 0.05%). These characteristics guarantee high dimensional stability of the frames during prolonged contact with process fluids and cutting fluids. The scanning electron microscopy (SEM) and (EDS) energy dispersive X-ray spectroscopy methods confirmed the dense packing and high degree of interaction of the polymer matrix with the crystalline phases of the filler. This condition of the interfacial boundaries guarantees stable stress transfer throughout the entire volume of the material, which minimizes the risk of local damage during operation. The study confirmed that the developed material has vibration damping properties 6–10 times more effective than gray cast iron, a critical factor in improving machining accuracy on modern metal-cutting machines. The scientific novelty of the study lies in its substantiation of the synergistic effect of the combined use of basalt fillers and silicon carbide to achieve the precision properties of a structural material. Its practical significance is confirmed by the possibility of producing large-scale parts by casting without the need for complex finishing, opening up new prospects for modernizing the machine tool industry. Full article

The selective oxidative transformation of 5-hydroxymethylfurfural (HMF) is a key route toward producing a wide variety of chemicals in the biorefinery industry. Herein, we report a NiAl layered double hydroxide (NiAl-LDH) catalyst as a highly effective electrocatalytic oxidation catalyst for the transformation of HMF into 2,5-diformylfuran (DFF), a valuable furan-based chemical, with about 75.53% DFF selectivity under neutral conditions. It demonstrated good stability without deactivation after 9 cycles of repeated electrolysis. The NiAl-LDH electrocatalyst was deposited on a nickel foam support via a hydrothermal method, and its structural properties and surface morphology were extensively investigated. Systematic studies of reaction temperature, current intensity, and electrolyte concentration revealed that the neutral electrolyte plays a critical role in achieving high DFF selectivity by suppressing aldehyde over-oxidation. Mechanistic investigations with electrochemically active surface area (ECSA), electrochemical impedance spectroscopy (EIS), Tafel slope and density functional theory (DFT) calculations revealed that the reversible transformation between Ni(OH)₂ and active NiOOH species in the NiAl-LDH electrocatalyst was the main reason for the oxidation of HMF, while the incorporation of Al provided structural support to the electrode, enabling the catalyst to exhibit excellent stability during electrolysis. Overall, this work demonstrates an active, earth-abundant metal electrocatalyst for the valorization of biomass-derived 5-HMF to DFF. Full article

This study aims to systematically investigate the combined effect of chemical activation of açaí seeds (Euterpe oleracea Mart.), with an aqueous sodium hydroxide (NaOH) solution at 2 mol·L⁻¹, and process temperature by pyrolysis of alkaline activated açaí seeds on the yield of reaction products (bio-oil, gas, H₂O, and biochar), physicochemical properties (acid value, density, and kinematic viscosity) and chemical composition (hydrocarbons and oxygenates) of bio-oil. Catalytic pyrolysis was carried out in a 143 L reactor at temperatures of 350 °C, 400 °C, and 450 °C, 1.0 atmosphere, operating in batch mode. The NaOH activation played a crucial role in modifying the thermal degradation pathway of the biomass, promoting the formation of specific chemical structures and altering the product yields. NaOH acted as a catalyst, enhancing the deoxygenation of the biomass and stimulating the formation of hydrocarbons. As a result, the yields of bio-oil, water, biochar, and gas varied from 5.77 to 7.20% (by mass), 14.90 to 19.77% (by mass), 41 to 54% (by mass), and 25.33 to 32.03%, respectively, influenced by the increase in temperature. FT-IR analyses indicated the presence of characteristic chemical functions of hydrocarbons (alkanes, alkenes, and aromatics) and oxygenated compounds (phenols, cresols, ketones, esters, carboxylic acids, aldehydes, and furans), with an intensification of hydrocarbon signals at higher temperatures. GC-MS analysis identified hydrocarbons and oxygenated compounds as the main chemical classes in the bio-oil, showing a strong dependence on pyrolysis temperature. It was observed that hydrocarbon concentration in bio-oil increased from 49.7% to 57.88% (area) with increasing temperature, while the concentration of oxygenated compounds decreased from 13.88% to 6.69% (area), demonstrating that NaOH activation, combined with temperature elevation, favors the formation of hydrocarbons and the reduction of oxygenated compounds, thereby improving the quality of the produced bio-oil. Full article

The fusion of heterocycles onto an anthraquinone scaffold represents a promising strategy to optimize anticancer activity. This study has the aim to synthesize and characterize novel anthra[1,2-b]furan compounds based on the natural product aloe-emodin. Six novel anthra[1,2-b]furans bearing phenyl, n-hexane, and methoxy carbonyl substituents were synthesized starting from aloe-emodin. The synthetic route employed involved acetyl protection of aloe-emodin, electrophilic aromatic halogenation, subsequent Castro–Stephens coupling, spontaneous intramolecular cyclization, and deprotection of hydroxyl groups. These newly synthesized compounds were evaluated for their cytotoxic activity against various cancer cell lines, including lung adenocarcinoma (A5492), colorectal carcinoma (HCT116), hepatocellular carcinoma (HepG2), ovarian cancer (Skov3), and breast cancer (MCF-7), using the CCK8 assay. The anthra[1,2-b]furan derivative 10c, which contains a methoxy carbonyl group, demonstrated excellent potency against lung (A549) and breast (MCF-7) cancer cell lines, with IC₅₀ values of 0.49 and 2.91 µM, respectively. This preliminary cytotoxic finding shows compound 10c as a promising hit for further investigations towards a promising lead compound. Full article

This study presents an integrated catalytic system enabling the quantitative production of 2,5-diethoxymethylfuran from HMF through a hybrid sequence that combines Ru-PNP-catalyzed hydrogenation with heterogeneous acid-catalyzed etherification in ethanol. The approach provides complete selectivity under mild conditions and demonstrates the compatibility of homogeneous hydrogenation catalysts with solid acid co-catalysts in a single process environment. In addition, we report the first example of homogeneously catalyzed hydrogenative valorization of HMF employing a co-catalytic, potentially recyclable acid additive. This strategy expands the scope of HMF upgrading pathways and highlights the potential of hybrid catalytic systems for the efficient synthesis of stable, energy-dense furan derivatives relevant to biofuel and biobased chemical applications. Full article

Mild steel remains one of the most widely used structural materials in mechanical and industrial engineering due to its favorable mechanical performance and low cost. However, its high susceptibility to corrosion continues to cause significant operational and economic losses across engineering systems. This study presents a unified analytical framework for analyzing corrosion-related molecular and nanostructured systems using reverse degree-based topological descriptors, namely, the Reverse M-polynomial and Reverse NM-polynomial. The framework is demonstrated in two complementary stages relevant to corrosion engineering. First, an exploratory structure–property correlation analysis based on Quantitative Structure–Property Relationship (QSPR) principles is conducted for furan-based organic inhibitors reported in the literature, examining the relationship between reverse degree-based descriptors and inhibition efficiency on mild steel surfaces. The analysis reveals a strong statistical correlation within the analyzed dataset (r = 0.958), indicating the sensitivity of selected reverse topological descriptors to molecular structural variations. The statistical significance of the correlations was evaluated using p-values and F-statistics, confirming the reliability of the observed associations within the analyzed dataset. However, owing to the limited dataset size, no claims of external predictivity are made. Second, the framework is extended to advanced protective materials through the analytical formulation of reverse descriptors for nanoporous graphene nanoribbons containing 14-annulene pores, focusing exclusively on structural and topological characterization. These graphene structures are considered as potential physical barrier materials; however, in this study, the analysis is limited to structural descriptor characterization without modeling corrosion performance. This work provides analytical results for reverse degree-based descriptors of such graphene architectures. Overall, the findings establish a versatile analytical framework that supports exploratory structure–property investigations of organic inhibitors and provides descriptor-based structural benchmarks for graphene nanostructures, offering theoretical insights relevant to corrosion mitigation research. Full article

Quantifying the mixture effects on humans exposed remains challenging because mixture components are correlated and may act bidirectionally by exhibiting nonlinear dose-response relationships, which may contribute to subclinical organ dysfunction. The liver is a vital organ in the body with broad functions, making it vulnerable to injury as it is the first organ exposed to circulating toxicants, which can precipitate hepatic damage. Our study’s objective was to evaluate the combined and component-specific associations of a multi-chemical exposure mixture of heavy metals, polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (dioxins), and polychlorinated dibenzofurans (furans), with liver biomarkers, and to compare concentration-based results with the toxic equivalent (TEQ) potency of the weighted results for dioxin-like compounds. In an unweighted analytic sample of U.S. adults from NHANES 2003–2004 with 947 complete cases, we examined heavy metals (cadmium, lead, and mercury), PCBs (12 congeners), dioxins (7 congeners), and furans (10 congeners) in relation to eight liver biomarkers (albumin, ALP, ALT, AST, GGT, LDH, total bilirubin, and total protein). We applied multi-exposure linear regression, weighted quantile sum (WQS) regression, quantile g-computation (qgcomp), and Bayesian kernel machine regression (BKMR), with parallel TEQ-based models using WHO 2005 TEFs for dioxin-like PCBs, dioxins, and furans. Across mixture methods, the mixture structure was chemically sparse, with a limited set of recurring contributors. Total bilirubin showed the most consistent positive mixture association across qgcomp and BKMR and persisted under TEQ weighting, with prominent PCB- and dioxin-like contributions (notably PCB81/PCB TEQs and dioxin-related components). Albumin demonstrated inverse mixture patterns in BKMR and TEQ-BKMR, with dioxin-like components (notably Dioxin3 and Dioxin3_TEQ) repeatedly emerging as key drivers. For ALT, ALP, AST, GGT, LDH, and total protein, overall mixture effects were frequently attenuated or null in qgcomp despite structured component weights, indicating bidirectional sub-mixtures and internal counterbalancing. BKMR PIPs similarly concentrated on a small number of dominant predictors (e.g., lead for ALP, mercury for ALT, PCB28 for AST, and cadmium and PCB189 for LDH), while interaction summaries provided limited evidence of stable non-additivity. Using multiple complementary mixture methods, we identified outcome-specific mixture patterns suggesting hepatobiliary vulnerability. TEQ concordance supports toxicological relevance of the dioxin-like axis, while metals and non–dioxin-like mechanisms likely contribute additional pathways. Full article

This study developed a highly efficient one-step catalytic reductive amination method, achieving the highly selective conversion of 5-hydroxymethylfurfural (HMF) to 2,5-bis(aminomethyl)furan (BAMF). A series of NiZnAl catalysts were prepared via the coprecipitation method and demonstrated excellent catalytic performance in HMF conversion. The Ni₄Zn₄Al₈O_x catalyst achieved up to 100% substrate conversion with 83.71% BAMF selectivity. Their structure–activity relationship was elucidated through a comprehensive characterization using XRD, H₂-TPR, NH₃-TPD, XPS, and TEM techniques. The study reveals that the unique synergistic interactions between the metal and acidic sites on the ZnAl₂O₄ spinel structure is crucial for catalytic performance: on the one hand, Zn introduction forms the spinel structure and promotes electron enrichment at Ni active sites, significantly enhancing the activation capability of HMF hydroxyl groups; on the other hand, the moderately acidic sites in the catalyst form “metal-acid” dual-functional synergistic centers with the metal sites, simultaneously promoting substrate activation and effectively regulating the transformation pathways of reaction intermediates. This precise matching between the metal active sites and acidic sites enables the efficient sequential progression of all steps in the reaction, offering a novel and more selective solution for the efficient reductive amination of HMF. Full article