Search Results (180)

Isobaric vapor-liquid equilibrium (VLE) data for binary mixtures of biomass–derived ethyl levulinate and ethanol were measured using an apparatus comprising a modified Rose-Williams still and a condensation system. Measurements were taken at temperatures ranging from 329.58 K to 470.00 K and pressures of 40.0, 60.0 and 80.0 kPa. The thermodynamic consistency of the VLE data was evaluated using the Redlich-Kister area test, the Fredenslund test and the Van Ness point-to-point test. The data was correlated using three activity coefficient models: Wilson, NRTL and UNIQUAC. The Gibbs energy of mixing of the VLE data was analyzed to verify the suitability of the binary interaction parameters of these models. The activity coefficients and excess Gibbs free energy, calculated from the VLE experimental data and model correlation results, were analyzed to evaluate the models’ fit and the non–ideality of the binary system. The accuracy of the regression results was also assessed based on the root mean square deviation (RMSD) and average absolute deviation (AAD) for both temperature and the vapor phase mole fraction of ethyl levulinate. The results indicate that the NRTL model provided the best fit to the experimental data. Notably, the experimental data showed strong correlation with the predictions of all three models, suggesting their reliability for practical application. Full article

Gastric ulcer is a concerning condition that affects numerous individuals globally. Omeprazole (OMP), a well-known drug for treating stomach ulcers, has been associated with several adverse effects and limited solubility. The study aimed to create an omeprazole nanosuspension (OMP-NS) with improved solubility and bioavailability. Additionally, the study investigated the potential therapeutic effects of OMP-NS on ethanol-induced gastric injury in rats, comparing it to traditional OMP therapy to identify novel therapeutic alternatives. The characterization of the OMP-NS was assessed using DLS, TEM, XRD, FTIR, UV spectrophotometric analysis, in vitro release studies, and entrapment efficiency (EE) assays. A total of 24 male Wistar albino rats (weighing 150–200 g, aged 8–10 weeks) were randomly divided into four groups (six rats/group). Gastric injury was induced using absolute ethanol (5 mL/kg), followed by oral administration of either OMP or OMP-NS (20 mg/kg) for 7 days. Data were analyzed using one-way ANOVA accompanied by the Bonferroni post hoc test or the Kruskal–Wallis test, based on data distribution, with significance set at p < 0.05. The OMP-NS demonstrated a Z-average diameter of 216.1 nm, a polydispersity index of 0.2, and a zeta potential of −19.6 mV. The particles were predominantly spherical with an average size of 67.28 nm. In vitro release studies showed 97.78% release at 8 h, with an EE% of 96.97%. Ethanol-induced gastric ulcers were associated with oxidative stress, characterized by elevated levels of NADPH, ROS, MDA, and NO, while the level of SOD was reduced. It was accompanied by increased inflammatory markers HMGB1, which subsequently increased TLR-2, MyD88, NF-κBp56, NLRP3, TNF-α, IL-1β, and IL-6 levels; conversely, a significant decrease in Nrf2/PPAR-γ/SIRT1 levels was observed. In contrast, OMP-NS administration significantly reduced oxidative stress and inflammatory markers, restored SOD activity, and upregulated protective pathways Nrf2/PPAR-γ/SIRT1 more effectively than conventional OMP therapy. In conclusion, OMP-NS represents a promising therapeutic strategy with notable anti-inflammatory and anti-ulcerogenic effects in ethanol-induced gastric ulcers. Full article

This article focusses on predicting the compressive properties of polyurethane-derived carbon foam using an artificial neural network (ANN) approach. To train the model, strain, pore density (20, 40, and 60 ppi), and solvents (acetone, ethanol, and methanol) were used as inputs, while compressive stress was used as output. Categorical variables like acetone, ethanol, and methanol were converted to binary form before training the ANN model by using one-hot encoding mechanism. Both inputs and outputs were normalized to prevent features with larger numerical ranges from dominating the training process. A feed-forward ANN with four hidden layers, each containing 100 neurons, was constructed. The performance of the ANN model was tested using three metrics: mean square error (MSE), mean absolute error (MAE), and coefficient of determination (R²). The Adam optimizer was used to optimize the weights and biases of the ANN. The model was trained for 10,000 epochs with a batch size of 50. Rectified Linear Unit (ReLU) and linear functions were used as activation functions for the hidden layers and the output layer, respectively. From the results, overall average MSE, MAE, RMSE, and R² values of 36.34, 4.42, 6.00, and 0.9797, respectively, were obtained. Full article

Aquisinenins G–I (1–3), three new 2-(2-phenylethyl)chromone-sesquiterpene hybrids, were isolated from the ethanol extract of Hainan agarwood derived from Aquilaria sinensis. Spectroscopic techniques, such as ¹D and ²D NMR and HRESIMS, were used to determine their structures. Experimental and computed ECD data were compared to confirm their absolute configurations. Compounds 1–3 are uncommon dimeric derivatives of 2-(2-phenylethyl)chromone-sesquiterpene, characterized by the fusion of 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromone with agarofuran or agarospirane-type sesquiterpene units by an ester linkage. Compound 1 inhibited nitric oxide production in lipopolysaccharide-stimulated RAW264.7 cells, showing an IC₅₀ value of 22.31 ± 0.42 μM. The neuroprotective effects of compounds 1 and 3 against H₂O₂-induced apoptosis were assessed in human neuroblastoma SH-SY5Y cells. Compound 1 demonstrated cytotoxicity with IC₅₀ values of 72.37 ± 0.20 μM against K562 and 61.47 ± 0.22 μM against BEL-7402, while compounds 2 and 3 showed cytotoxicity across all five tested human cancer cell lines. Full article

Background: Agarwood has been widely used for the treatment of gastrointestinal diseases. Our research group has suggested that agarwood alcohol extracts (AAEs) provide good gastric mucosal protection. However, the exact mechanisms underlying this effect remain unclear. Objectives: This study aimed to investigate the ameliorative effect of agarwood chromone on gastric ulcers and its mechanism. Methods: Network pharmacology was used to predict the disease spectrum and key therapeutic targets of 2-(2-phenylethyl)chromone (CHR1) and 2-(2-(4-methoxyphenyI)ethyl)chromone (CHR2). Mice were orally administered CHR1 (20 and 40 mg/kg) and CHR2 (20 and 40 mg/kg) and the positive drug omeprazole as an enteric-coated capsule (OEC, 40 mg/kg) orally. After 7 days of pretreatment with the CHRs, gastric ulcers were induced using absolute ethanol (0.15 mL/10 g). The ulcer index, gastric histopathology, biochemical parameters, and inflammatory and apoptotic proteins were evaluated. Finally, binding of the core compounds to the key targets was verified via molecular docking and visualized. Results: The pharmacological results show that the CHRs reduced the gastric occurrence and ulcer inhibition rates by up to more than 70% in a dose-dependent manner. The CHRs decreased the levels of interleukin 6 (IL-6), interleukin 12 (IL-12), interleukin 18 (IL-18), and tumor necrosis factor α (TNF-α), and improved the severity of the pathological lesions in the gastric tissue. The expression of ATP-binding box transporter B1 (ABCB1), arachidonic acid-5-lipoxygenase (ALOX5), nuclear factor kappa B (NF-κB), cysteinyl aspartate specific proteinase 3 3 (Caspase3), and cysteinyl aspartate specific proteinase 9 (Caspase9) was inhibited, but the expression of B-cell lymphoma-2 (Bcl-2) was enhanced. The CHRs bound stably to the key targets via hydrogen bonding, van der Waals forces, etc. These results demonstrate that agarwood chromone compounds exert alleviative effects against the occurrence and development of gastric ulcers by inhibiting the NF-κB and caspase pathways. The CHRs have a therapeutic effect on gastric ulcers through anti-inflammation and anti-apoptosis mechanisms. Conclusions: This study suggests that agarwood may have a potential role in drug development and the prevention and treatment of gastrointestinal inflammation, and tumors. Full article

Plant-derived biopesticides are emerging as a promising and popular alternative for promoting cleaner and safer agricultural practices. The present work aims to explore Argyranthemum frutescens (Asteraceae) as a source of botanical pesticides and to validate this through a cultivation process. To this task, a bioassay-guided fractionation of the ethanolic root extracts from both wild and cultivated A. frutescens on phytopathogenic fungi of Botrytis cinerea, Fusarium oxysporum, and Alternaria alternata was conducted. This approach led to the identification of polyacetylenes with higher potency than commercial fungicides. Specifically, compounds 3 (capillin) and 5 (frutescinone) showed more than 90% growth inhibition at 0.05 mg/mL concentration on B. cinerea, while compounds 2 (capillinol) and 3 were also more active than positive controls, Fosbel-Plus and Azoxystrobin, against F. oxysporum. The structures of the isolated polyacetylenes (1–6, 9, and 10) and alkamides (7, 8, and 11) were determined through spectroscopic analysis, and the absolute configuration of stereocenter C1 of compounds 1, 2, 4 and 9 was determined by NMR-spectroscopy with (R)-(-)-α-methoxy-phenylacetic as a chiral derivatizing agent, and biogenetic considerations. Overall, this study supports the potential of polyacetylenes as promising agrochemical lead compounds against phytopathogens, and validates A. frutescens cultivation as a viable source of biopesticides. Full article

The sustainable management of energy resources is fundamental in addressing global environmental and economic challenges, particularly when considering biofuels such as ethanol and gasoline. This study evaluates advanced forecasting models to predict consumption trends for these fuels in Brazil. The models analyzed include ARIMA/SARIMA, Holt–Winters, ETS, TBATS, Facebook Prophet, Uber Orbit, N-BEATS, and TFT. By leveraging datasets spanning 72, 144, and 263 months, the study aims to assess the effectiveness of these models in capturing complex temporal consumption patterns. Uber Orbit exhibited the highest accuracy in forecasting ethanol consumption among the evaluated models, achieving a mean absolute percentage error (MAPE) of 6.77%. Meanwhile, the TBATS model demonstrated superior performance for gasoline consumption, with a MAPE of 3.22%. Our models have achieved more accurate predictions than other compared works, suggesting ethanol demand is more dynamic and underlining the potential of advanced time–series models to enhance the precision of energy consumption forecasts. This study contributes to more effective resource planning by improving predictive accuracy, enabling data-driven policy making, optimizing resource allocation, and advancing sustainable energy management practices. These results support Brazil’s energy sector and provide a framework for sustainable decision making that could be applied globally. Full article

Alkanna tinctoria L. Tausch (“alkanet” or “alkanna”) is a medicinal plant. Extracts from alkanet roots have applications as natural food coloring agents. In addition, they have proven antioxidant effects. Three classical solvents (ethanol and acidified ethanol/water) and four natural eutectic solvents (NADES)—choline chloride/urea; choline chloride/citric acid; choline chloride/lactic acid; and sodium acetate/formic acid—were compared for their effectiveness as “green” solvents for the extraction of the alkanet pigment. Notably, this study is the first to apply choline chloride-based NADESs for alkanet extraction, providing a comprehensive profile of key bioactive compounds and their contributions to antioxidant activity using UV/Vis and FT-IR spectrometry, GC-MS, and HPLC-PDA-MS. Among the classical solvents, 50% acidified ethanol showed the highest extraction capacity, as indicated by its total flavonoid (708 ± 32 mgCE/L) and total phenolic (1318 ± 63 mgGAE/L) content. However, this extract exhibited the highest total alkaloid content (256 ± 15 µg/L) compared to the other classical extraction solvents. Consequently, absolute ethanol was identified as a more suitable alternative. Among the NADES, the sodium acetate/formic acid (1:2 mol/mol, NADES4) extract was the only one to show the presence of alkannins. This extract also contained high levels of phenols (355 ± 21 mg GAE/L) and tannins (163 ± 10 mg CE/L), exhibited strong antioxidant potential (DPPH: 131 µmol TE/g dw, FRAP: 7.49 mg Fe(II)/mg dw), and contained significantly lower alkaloid levels (7.0 ± 0.5 µg/L). Comparative analyses indicated that the sodium acetate/formic acid extract outperformed those prepared with ethanolic solvents and other NADES. Full article

The present work aimed to evaluate the extractive performance of three green solvents—absolute ethanol, hydrated ethanol (96%), and absolute isopropanol (AIP)—in high stearic high oleic sunflower seeds, comparing them with the conventional solvent hexane. The oil yield from exhaustive Soxhlet extraction with hydrated ethanol was significantly lower, with no significant differences being observed among the other solvents. Extraction with AIP produced the extract with the lowest non-lipid material content and the oil with the lowest concentration of crystallizable waxes, showing a 53% reduction compared to hexane. Since AIP showed a higher extraction efficiency than absolute ethanol after 4 h of processing, its oil extraction kinetics when used as a solvent were further studied. A modified Fick’s diffusion model revealed that, for hexane extraction at 50 °C, the effective diffusion coefficient and the washing fraction were higher than those for AIP extraction (26% and 5.4% higher, respectively). No clear dependence of the oil extraction kinetics on the temperature was observed between the studied temperatures (50 °C and 70 °C). The results showed the feasibility of using absolute ethanol and AIP as alternatives to hexane. Additionally, isopropanol presented operational advantages, producing oil that required less dewaxing during refining than that extracted with hexane or ethanol and showing higher oil selectivity than ethanol. Full article

This study explored the batch membrane filtration of 40% ethanol extracts from spent lavender, containing valuable compounds like rosmarinic acid, caffeic acid, and luteolin, using a polyamide-urea thin film composite X201 membrane. Conducted at room temperature and 20 bar transmembrane pressure, the process demonstrated high efficiency, with rejection rates exceeding 98% for global antioxidant activity and 93–100% for absolute concentrations of the target components. During concentration, the permeate flux declined from 2.43 to 1.24 L·m⁻²·h⁻¹ as the permeate-to-retentate-volume ratio increased from 0 to 1. The process resistance, driven by osmotic pressure and concentration polarization, followed a power–law relationship with a power value of 1.20, consistent with prior nanofiltration studies of rosmarinic acid solutions. Notably, no membrane fouling occurred, confirming the method’s scalability without compromising biological activity. The antioxidant activity, assessed via the DPPH method, revealed that the retentate exhibited double the activity of the feed. Antibacterial assays using broth microdilution showed that the retentate inhibited Escherichia coli by 73–96% and Bacillus subtilis by 97–98%, making it the most active fraction. These findings validate the effectiveness of the X201 membrane for concentrating natural antioxidants and antibacterial agents from lavender extract under sustainable operating conditions. Full article

Salix koreensis Anderss (Salicaceae), commonly referred to as Korean willow, is native to East Asia, particularly Korea and China, and it has been used in traditional Korean folk medicine for its potent anti-inflammatory, analgesic, and antioxidant properties. In our ongoing research efforts to discover biologically new natural products, phytochemical analysis on an ethanolic extract of S. koreensis twigs yielded the isolation and identification of ten phenolic compounds (1–10), including a newly discovered phenolic glycoside (1) named isograndidentatin D, isolated via HPLC purification. The structure of compound 1 was determined through extensive 1D and 2D NMR spectral data analysis and high-resolution electrospray ionization mass spectrometry (HR-ESIMS). Its absolute configuration was established using DP4+ probability analysis combined with gauge-including atomic orbital NMR chemical shift calculations and chemical reaction methods. The other known compounds were identified as isograndidentatin B (2), trichocarposide (3), glanduloidin C (4), tremuloidin (5), 3-O-acetylsalicin (6), 2-O-acetylsalicin (7), salicin (8), salireposide (9), and coumaric acid (10), confirmed by comparing their NMR spectra with previously reported data and further verified through liquid chromatography/mass spectrometry (LC/MS) analysis. The isolated compounds 1–10 were tested for their anti-Helicobacter pylori activities. Among these, compounds 4 and 5 demonstrated moderate anti-H. pylori activity at a concentration of 100 μM. Specifically, compound 5 showed an inhibitory activity of 35.9 ± 5.4%, making it slightly more potent than compound 4, with 34.0 ± 1.0% inhibition. These results were comparable to that of quercetin, a known anti-H. pylori agent used as a positive control in this study, which showed 38.4 ± 2.3% inhibition. The remaining compounds exhibited very weak inhibitory effects. This study highlights the potential of S. koreensis twigs as a valuable natural source of bioactive compounds for therapeutic applications against H. pylori. Full article

The electronic nose is an increasingly useful tool in many fields and applications. Our thermal electronic nose approach, based on nanostructured metal oxide chemiresistors in a thermal gradient, has the advantage of being tiny and therefore integrable in portable and wearable devices. Obviously, a wise choice of the nanomaterial is crucial for the device’s performance and should therefore be carefully considered. Here we show how the addition of different amounts of Au (between 1 and 5 wt%) on Cu₂O–SnO₂ nanospheres affects the thermal electronic nose performance. Interestingly, the best performance is not achieved with the material offering the highest intrinsic selectivity. This confirms the importance of specific studies, since the performance of chemoresistive gas sensors does not linearly affect the performance of the electronic nose. By optimizing the amount of Au, the device achieved a perfect classification of the tested gases (acetone, ethanol, and toluene) and a good concentration estimation (with a mean absolute percentage error around 16%). These performances, combined with potentially smaller dimensions of less than 0.5 mm², make this thermal electronic nose an ideal candidate for numerous applications, such as in the agri-food, environmental, and biomedical sectors. Full article

Tecoma stans belongs to the Bignoniaceae family and possesses various pharmacological activities, including antimicrobial, anti-inflammatory, antifungal, antioxidant, and wound-healing activities. Although numerous studies have highlighted the beneficial effects of T. stans extracts, the impacts of different solvents on its biological activities, particularly its inhibitory effect on skin degradation enzymes (collagenase, elastase, and hyaluronidase assay), have not been reported. This study aims to explore the effects of different solvent extractions on the total phenolic and total flavonoid contents, antioxidant and anti-aging activities, and cytotoxicity. The most suitable extract was selected for incorporation into an anti-aging product. T. stans flowers were extracted using hexane, ethyl acetate, absolute ethanol, and deionized water through maceration. The aqueous extract yielded the highest extraction efficiency (40.73%), followed by absolute ethanol, ethyl acetate, and hexane. The phytochemical screening results revealed that all T. stans flower extracts contained phenolics, flavonoids, terpenoids, and alkaloids. Among the various solvents tested for T. stans flower extraction, absolute ethanol demonstrated the highest total phenolic content (24.10 ± 2.07 mg gallic acid equivalents (GAE)/g extract), followed by deionized water (20.83 ± 1.28 mg GAE/g extract). The highest total flavonoid content was observed in the ethyl acetate extract (205.11 ± 7.83 mg catechin equivalents (CE)/g extract), with ethanol showing a significantly lower concentration (140.67 ± 1.92 mg CE/g extract). In terms of antioxidant activity, the aqueous extract exhibited the most potent effects, with IC₅₀ values of 0.600 ± 0.005 mg/mL for the DPPH^• assay and 0.207 ± 0.001 mg/mL for the ABTS^•+ assay. For anti-aging assays, the absolute ethanolic extract demonstrated the highest enzyme inhibition activity at 1 mg/mL, with collagenase, elastase, and hyaluronidase inhibition rates of 89.49% ± 2.96%, 94.61% ± 2.33%, and 82.56% ± 2.27%, respectively. Moreover, at a concentration of 50 µg/mL, the absolute ethanolic extract exhibited lower cytotoxicity, with human keratinocyte (HaCaT) cell viability of 78% ± 8.47%, which was significantly higher than that of the other extracts. An anti-aging gel containing 0.05% w/w of the ethanolic T. stans extract demonstrated physical and physicochemical stability during three months of storage at ambient temperatures, 4 °C, 45 °C, as well as after six cycles of heating/cooling tests. These findings suggest that the ethanolic extract of T. stans flower has potential as a safe and effective anti-aging agent for cosmeceutical products. Full article

An experimental investigation into the conversion of ethanol to syngas by partial oxidation in a non-premixed counterflow moving bed filtration combustion reactor was carried out. Regimes of conversion depending on the mass flow rates of fuel and air (separate feeding), as well as a granular solid heat carrier, were studied. Depending on the mass flow rate of the heat carrier, two combustion modes were realized—reaction trailing and intermediate—with different temperature patterns in the gas preheating, combustion, and cooling zones along the reactor. The product gas composition is far from the predictions of the equilibrium model; it contains substation fractions of methane and ethylene. Combustion temperature and conversion are limited by the relatively high level of heat loss from the laboratory-scale reactor. The effect of the heat loss can be reduced by enhancing the absolute flow rate of the reactants. Full article

This study investigates the underutilized potential of agri-crops from the Asteraceae family by employing sustainable and green technologies (supercritical fluid, ultrasound, and Soxhlet extractions) to enhance the recovery of bioactive compounds. A total of 21 extracts from native and waste seeds of dandelion, milk thistle, and chamomile were systematically compared utilizing a combination of solvents (supercritical CO₂ and absolute or aqueous ethanol). Supercritical CO₂ extraction yielded up to 281 mg/g of oils from native seeds, while conventional techniques with ethanol recovered an additional 142 mg/g of extracts from waste seeds. Notably, waste seed extracts exhibited superior biological activity, including potent antioxidant properties (IC₅₀ values as low as 0.3 mg/mL in the DPPH assay) and broad-spectrum antimicrobial activity against 32 microbial strains, including methicillin-resistant Staphylococcus aureus, Gram-negative bacteria, and yeast strains. Phenolic compounds were abundant, with up to 2126 mg GAE/g, alongside 25.9 mg QE/g flavonoids, and 805.5 mg/kg chlorophyll A. A selective anticancer activity of waste milk thistle extracts was observed, with a selectivity index of 1.9 to 2.7. The oils recovered from native seeds demonstrated lower bioactivity and are well-suited for applications in food. The potent bioactivity of the smaller quantities of waste seed extracts positions them as valuable candidates for pharmaceutical use. Full article