Search Results (8,121)

Chronic exposure to even low levels of pesticides is a serious public health issue, mainly due to the role of oxidative stress in damaging the liver and promoting cancer. This has driven interest in finding natural, plant-based antioxidants that can counteract this kind of chemical injury. In this study, we tested whether a methanol extract from the leaves of Pteropyrum scoparium (PSE) could protect the liver against oxidative harm caused by four common pesticides: acetochlor, deltamethrin, thiamethoxam, and rotenone. Chemical analysis showed that the extract contains high levels of phenolics (345.1 ± 7.6 mg GAE/g) and flavonoids (17.3 ± 1.3 mg CAE/g). GC–MS profiling revealed a diverse set of compounds, including fat-soluble antioxidants like squalene, α-tocopherol, and γ-sitosterol, and water-soluble phenolics like pyrogallol and catechol, suggesting PSE is equipped with a multi-layered antioxidant defence. In the animal experiment, rats were given each pesticide for 30 days, with or without PSE. All four pesticides caused clear oxidative stress in the liver: glutathione (GSH), total antioxidant capacity (TAC), antioxidant enzymes activities dropped, while markers of lipid damage (MDA) and free radical activity (DPPH) rose. Co-administration of PSE significantly restored GSH, TAC and antioxidant enzymes levels and reduced MDA and residual DPPH values compared to pesticide-only groups; these parameters were statistically comparable to the controls (p > 0.05), indicating a substantial recovery of hepatic redox balance. Histopathological examination of liver tissues confirmed these findings, as pesticide treatment caused visible liver injury; deltamethrin and thiamethoxam led to congestion in central veins, while rotenone and acetochlor triggered clusters of inflammatory Kupffer cells. In animals that also received PSE, liver structure remained largely normal, with much less congestion and inflammation. These results show that the combination of antioxidant constituents in PSE might contribute to hepatoprotection through redox modulation and preservation of endogenous antioxidant balance, as suggested by the observed biochemical and histological improvements. Full article

The development of sustainable and environmentally benign N-methylation methodologies is essential for enhancing sustainable synthetic practice in pharmaceutical manufacturing. In this study, we demonstrate that microwave heating (MWH) markedly enhanced the efficiency of cobalt-catalyzed N-methylation using methanol or methanol-d₄ as green C1 sources. Compared with conventional heating (CH), MWH enabled highly efficient syntheses of key pharmaceutical intermediates—including 6-dimethylamino-1-hexanol, imipramine hydrochloride, and butenafine hydrochloride—under milder conditions and shorter reaction times and without generating hazardous halogen-containing waste. UV–vis spectroscopic analysis revealed that MWH accelerated the transformation of Co(acac)₂ into catalytically active Co species by approximately four-fold, providing a mechanistic basis for the enhanced reactivity. We hypothesized that this effect was caused by the selective microwave heating of the catalyst, which in turn promoted the rapid generation of catalytically active species. Notably, MWH also significantly improved the N-trideuteromethylation of amines using methanol-d₄, achieving a 95% yield for imipramine-d₃ hydrochloride versus 32% under CH. Molecular dynamics simulations indicated that methanol-d₄ exhibited slower dipole relaxation and enhanced cluster fragmentation under microwave fields, improving catalyst–substrate contact, while kinetic isotope effects stabilized reactive intermediates. These synergistic effects account for the pronounced microwave promotion observed in deuterated systems. Overall, the combination of MWH and cobalt catalysis offers an energy-efficient, waste-minimizing, and environmentally benign strategy for the scalable synthesis of both methylated and deuterated amines. Full article

Vernonia amygdalina Delile (Asteraceae), commonly known as bitter leaf, is a tropical shrub that may potentially serve as a biopesticide against the Colorado potato beetle Leptinotarsa decemlineata (Say) (Coleoptera: Chrysomelidae), a key pest of potatoes. The beetle’s behavioral response to the methanolic leaf extract of V. amygdalina was evaluated in this study. Using no-choice, dual-choice, and wind-tunnel assays under laboratory conditions, we evaluated responses of larvae and adults to potato leaf discs treated with V. amygdalina extract in a randomized complete block design, measuring feeding behavior, leaf damage levels, and remaining leaf area. The results showed that V. amygdalina had no biocidal effects against the beetle, as no mortality was incurred. However, dose-linked antifeedant effects were evident in both no-choice and dual-choice arenas. Vernonia amygdalina minimized leaf-area loss most effectively at the highest concentration, especially against the larvae. The extract showed no olfactory repellency but acted as an antifeedant, possibly through contact or taste (gustatory) receptors. The consistent behavioral avoidance at higher concentrations suggests that V. amygdalina acts as a form of deterrent against the Colorado potato beetle. Full article

Background/Objectives: This study aimed to investigate the phytochemical composition, antioxidant capacity, and anticancer potential of methanol and ethanol extracts of Lactarius deliciosus (L.) Gray in MCF-7 breast cancer cells, focusing on their effects on energy metabolism and related molecular mechanisms. Methods: In L. deliciosus samples, total antioxidant activity and total phenolic content were determined spectrophotometrically, while individual phenolics were classified by HPLC and volatile aromatic compounds (VOCs) were determined by GC-MS. The anticancer effects of L. deliciosus in MCF-7 breast cancer were determined using RT-qPCR with 46 different genes. Results: Phytochemical profiling via HPLC and GC–MS revealed a rich diversity of bioactive compounds, including significant levels of gallic acid (298.89 µg/g), vanillic acid (191.98 µg/g), and succinic acid (724.73 µg/g). The extracts exhibited robust antioxidant activity and dose-dependent cytotoxicity, reducing cell viability to as low as 5.60% after 72 h. Molecular analysis through Reactome pathway enrichment and expression profiling of 46 genes demonstrated that L. deliciosus drives cancer cells into a metabolic impasse by reversing the Warburg effect. Key findings include the significant downregulation of glycolytic genes like SLC2A1/GLUT1 (−12.34) and HK2 (−1.71), alongside the repression of mitochondrial TCA cycle regulators such as IDH1 (−17.81) and OGDH (−2.54). This metabolic collapse triggered G0/G1 phase cell cycle arrest and induced apoptosis. Conlusions: These results align with international benchmarks for Lactarius species while providing novel insights into the metabolic reprogramming mechanism. The results obtained in this study highlight that L. deliciosus emerges as a promising natural agent for therapeutic strategies targeting cancer bioenergetics. Full article

Background/Objectives: Sea urchin gonads (“roe”) are a valuable seafood product and a chemically complex matrix whose composition varies with physiology and environment. We present a biphasic extraction and ¹H NMR workflow to build a reusable reference inventory of polar metabolites and apolar lipid features in Paracentrotus lividus. Methods: Gonads from 37 adults (23 males, 14 females) collected at two sites (Alicante and Jávea–Dénia, Spain; October 2024) were lyophilized, extracted with methanol/chloroform/water, and analyzed by 400 MHz ¹H NMR in buffered aqueous solution (polar) and CDCl₃ (apolar). Polar metabolite identification combined 1D patterns with database matching and ¹H–¹³C HSQC confirmation on representative samples, yielding 71 annotated resonances corresponding to 37 metabolites spanning amino acids, osmolytes/quaternary amines, carbohydrates/aminosugars, and nucleoside/purine-related compounds. Results: Polar fingerprints enabled supervised modelling: PLS-LDA separated sexes with low cross-validated error, and SPA/COSS ranking highlighted glycine, alanine, creatine and osmolyte-associated signals as key discriminants; pathway mapping supported the enrichment of amino-acid and one-carbon/purine networks. Apolar spectra were annotated at the motif level and used for lipid-index estimation, indicating substantial unsaturation but low docosahexaenoic acid (DHA) and modest sex effects. Conclusions: The curated peak lists and reporting framework facilitate reproducible NMR annotation and future comparative studies of P. lividus gonads. Full article

Real-time quaking-induced conversion (RT-QuIC) is highly sensitive for prion detection; however, inhibitory factors present in tissue homogenates readily interfere with the assay. We previously reported that recombinant cervid prion protein (rCerPrP) enabled the establishment of practical RT-QuIC for detecting chronic wasting disease and atypical bovine spongiform encephalopathy (BSE) prions, i.e., detecting low levels of prions in high concentration of brain tissue homogenates. Accordingly, the present study aimed to establish RT-QuIC for detecting classical BSE (C-BSE) and classical and atypical scrapie (C- and A-scrapie, respectively). A single-step lipid extraction using a 3:1 mixture of 2-butanol and methanol was effective as a pretreatment to remove inhibitors from brain homogenates. Among three rPrPs extensively evaluated, recombinant sheep PrP (rShPrP) was the most suitable substrate for practical detection of C-BSE prions. rCerPrP-173S/177N and rCerPrP-98S/173S/177N, which carry sheep-type amino acid substations at codons 173 and 177 and at codons 98, 173, and 177, showed excellent performance for detecting C-scrapie prions. Moreover, rCerPrP-98S/173S/177N, but not rCerPrP-173S/177N, was identified as an optimal substrate for detecting A-scrapie prions. These results suggested that combining inhibitor-removal pretreatment with the optimization of rPrP substrate for each animal prions further enhanced of RT-QuIC performance. Full article

In this paper, the target compound, 4-hydroxy-3-[[(2-hydroxy-1-naphthalenyl)methylene]amino]benzenesulfonamide (hereafter referred to as HA), was synthesized via the reaction of 2-hydroxy-1-naphthaldehyde with 2-aminophenol-4-sulfonamide in an 86% yield. In methanol–water (v/v, 1:1, pH 5.0 acetate buffer), HA displays a “turn-on” fluorescence response at 531 nm (λex = 411 nm) toward Al³⁺ with high selectivity over 17 common metal ions and 11 anions. The fluorescence intensity is linearly correlated to an Al³⁺ concentration from 1 to 10 µM (R² = 0.999) with a detection limit of 58 nM (3σ/k). Job’s plot and DFT calculations (M06/6-31G) both support a 1:1 binding stoichiometry. Under the tested conditions (with the methanol–water medium having an effective ionic strength equivalent to a low-salinity environment), the probe’s performance was unaffected. In natural aqueous samples (tap water and bottled water), which typically have low salinity (estimated as 0–5‰), Al³⁺ in the samples can also be chelated by the HA probe with a precision of relative standard deviation of less than 1%, and the recovery rate is higher than 90%. The probe exhibited acceptable relative recovery and low standard deviation, demonstrating a rapid and convenient novel method for detecting Al³⁺ in a natural aqueous sample. Full article

Salophen-type Schiff base ligands derived from salicylaldehyde and naphthalene aldehydes were synthesized and coordinated to Ni(II) to obtain three nickel complexes (NiL1–NiL3), which were evaluated as heterogeneous electrocatalysts for the methanol electro-oxidation reaction (MOR) in alkaline media. The ligands and complexes were fully characterized by FT-IR, ¹H NMR, EPR, DART-MS, and elemental analysis, confirming tetradentate coordination through imine nitrogen and phenoxide oxygen donors. Electrochemical studies were carried out using carbon paste electrodes modified with 15 wt % of each complex. Cyclic voltammetry revealed that the electrocatalytic activity is mediated by the Ni(II)/Ni(III) redox couple, with Ni(III) oxohydroxide species acting as the active sites for methanol oxidation. Among the evaluated systems, NiL1@CPE showed superior performance at low methanol concentrations, while NiL2@CPE and NiL3@CPE exhibited higher current densities at elevated methanol concentrations. Scan-rate studies indicated that the oxidation process is diffusion-controlled, and a linear response to methanol concentration was observed over a wide concentration range. The results demonstrate that ligand structure and coordination geometry play a crucial role in modulating the electrocatalytic behavior of Ni(II) Schiff base complexes, highlighting their potential as cost-effective molecular catalysts for alkaline methanol oxidation. Full article

Maritime decarbonization has shifted from a long-term aspiration to an engineering and systems-integrated problem under near-term compliance pressure. International regulatory bodies, governments, and a wide array of private-sector coalitions will tighten greenhouse-gas fuel-emission standards from 2028, translating climate targets into enforceable cost signals and accelerating interest in alternative-fuel and retrofit pathways. This review synthesizes the state of the art (SoA) of maritime decarbonization by mapping where technological bottlenecks concentrate along the well-to-wake (WtW) value chain for the main candidate pathways: biofuels, LNG/bio-LNG, hydrogen, ammonia, e-methanol, and electrification, and by benchmarking them side-by-side using a unified framework designed to compare their realizable well-to-wake GHG-reduction potential under maritime operating constraints. Building on that comparative lens, this work aims to connect pathway readiness to the near-term market and regulatory reality, while the alternative-fuel-capable fleet is projected to expand rapidly, creating a structural capability vs. supply gap, in which, for example, ship readiness can outpace low-GHG fuel availability and bunkering rollout. The merged evidence indicates that near-term abatement will be dominated by scalable drop-in biofuels, whereas deep-sea options (ammonia/hydrogen and e-fuels) remain gated by upstream low-GHG production, port infrastructure, and safety/regulatory maturation. Nevertheless, mid-term deployment of low-GHG fuels can act as a system “relief valve”, reducing infrastructure lock-in and accelerating emissions reductions while zero-carbon fuel supply chains scale up. Full article

Plant-derived materials previously regarded as low-value by-products are increasingly investigated as sources of bioactive compounds, yet hemp (Cannabis sativa L.) leaves remain underutilized despite their rich phytochemical profile. This study aimed to evaluate and compare the in vitro antioxidant capacity and total phenolic content of methanolic extracts obtained from the leaves and inflorescences of four hemp cultivars (Finola, Futura 75, Dioica, and Kompolti). Antioxidant capacity (AC) was assessed using ABTS, DPPH, and FRAP assays, while total phenolic content was determined spectrophotometrically. Inflorescences exhibited significantly higher total phenolic content than leaves, with the highest values observed in the Finola cultivar. In contrast, leaf extracts showed greater radical-scavenging capacity in the ABTS and DPPH assays, whereas inflorescences demonstrated higher ferric ion–reducing power in the FRAP assay. Both cultivar and plant part had a significant effect on all evaluated parameters. Overall, hemp leaves and inflorescences displayed distinct and complementary antioxidant profiles in vitro, with Kompolti and Finola leaves characterized by strong radical-scavenging activity and Finola inflorescences showing the highest reducing capacity. These findings provide a comparative characterization of hemp morphological parts with respect to phenolic content and antioxidant behavior, highlighting the potential value of leaves as a source of bioactive compounds. Full article

Background: Nigella sativa (black cumin) seeds are renowned for their ethnomedicinal significance and are rich in bioactive phytochemicals, which contribute to food preservation and the prevention of various diseases through their antimicrobial and antioxidant properties. Accordingly, this study aimed to characterize the phytochemical composition of N. sativa seed extracts, isolate thymoquinone, and assess their antibacterial, antibiofilm, antioxidant, anti-inflammatory and antidiabetic activities. Methods: Nigella sativa seed extracts were prepared using solvents of increasing polarity and analyzed for phytochemical content. Metabolite profiling was performed using UHPLC/QTOF-MS. Thymoquinone, the major constituent, was isolated via thin-layer chromatography (TLC), further purified using semi-preparative reverse-phase high-performance liquid chromatography (RP-HPLC), and evaluated in vitro for antibacterial, antibiofilm, antioxidant, anti-inflammatory, and antidiabetic activities. Results: Extraction yields ranged from 5.5% to 8.4% (w/w), with methanol yielding the highest phenol (6.34 ± 0.31 mg GAE/mL) and flavonoid (5.12 ± 0.26 mg QE/mL) contents. UHPLC/QTOF-MS revealed a chemically diverse profile dominated by thymoquinone (58% relative abundance), alongside p-cymene, carvacrol, longifolene, and nigellidine. Thymoquinone (Rf = 0.56) was initially isolated from the methanolic extract with a yield of 270 mg/g and further purified from preparative TLC fractions using semi-preparative RP-HPLC, affording 82 mg of >95% pure compound with a 68.3% recovery, suitable for subsequent biological assays. It inhibited Gram-positive and Gram-negative bacteria, with MICs of 62.5 µg/mL against Staphylococcus aureus, Bacillus subtilis, and Listeria monocytogenes; 125–250 µg/mL against Escherichia coli and Salmonella typhimurium; and 500 µg/mL against Pseudomonas aeruginosa. Thymoquinone reduced biofilm formation (>80% at 25–50 µg/mL; MBIC₅₀ ≈ 5.4–11.6 µg/mL), exhibited antioxidant activity (DPPH IC₅₀ = 52.3 ± 2. 1 µg/mL; ABTS IC₅₀ = 41.6 ± 1.9 µg/mL), stabilized erythrocyte membranes (IC₅₀ ≈ 14.8 µg/mL), and inhibited carbohydrate-hydrolyzing enzymes, with stronger inhibition of α-glucosidase (~92%) than α-amylase (~84%) at 128 µg/mL. Conclusions: Thymoquinone is a major bioactive constituent of N. sativa seeds, exhibiting consistent multi-target in vitro activity. These findings highlight its functional relevance and in vivo investigations to establish therapeutic potential. Full article

The shipping sector is responsible for a considerable share of global CO₂ emissions and is under pressure to reduce emissions and adopt carbon-neutral fuels. Among the proposed alternatives, methanol produced from green hydrogen and biogenic CO₂ represents a promising option. However, the feasibility of its production is significantly influenced by the composition and variability of the bio-CO₂ feedstock, which can negatively impact the complete value chain. To address these challenges, sampling campaigns were carried out at actual bio-CO₂-emitting sites, namely biogas and biomass combustion facilities, to characterize the impurity profiles and determine the appropriate conditioning requirements. A novel membrane gas absorption system with a Diethanolamine solution was deployed directly in the field to capture, as well as purify to a certain extent, the CO₂ stream. The system demonstrated high efficiency in removing most impurities, achieving high CO₂ capture rates and impurity reduction close to 90%. However, residual chlorine species were detected in the CO₂ streams from biogas plants, suggesting the need for additional conditioning to meet the purity specifications required for methanol synthesis. Given that the feedstock composition and upstream process conditions could significantly affect the final output and present considerable variations, the implementation of additional cleaning measures is recommended before synthesis. Full article

This study investigates the phytochemical composition and biological activity of eight Thymus species distributed in Bulgaria, with a focus on taxa from section Hyphodromi. High-performance liquid chromatography (HPLC) and gas chromatography–mass spectrometry (GC–MS) were used to characterize the methanolic (MeOH) and diethyl ether (Et₂O) extracts, respectively. MeOH extracts revealed high concentrations of phenolic acids, particularly rosmarinic acid, salicylic acid, and flavonoid glycosides, with T. atticus, T. jalasianus, and T. leucotrichus showing the most diverse profiles. Et₂O extracts were dominated by triterpenic acids (ursolic and oleanolic) and monoterpenes such as thymol and carvacrol, especially in T. zygioides and T. leucotrichus. All MeOH extracts exhibited significant antioxidant activity in the DPPH assay (IC₅₀ < 50 µg/mL), with T. jalasianus and T. atticus demonstrating the strongest effects. Radical scavenging potential generally followed the trend of total phenolic content. Moderate acetylcholinesterase-inhibitory activity was observed only in T. zygioides and T. leucotrichus. The study reports for the first time data on the biological activity and metabolic composition of extracts from endemic and rare species and from the species of Bulgarian origin. The results provide new data on the phytochemical composition and in vitro antioxidant and acetylcholinesterase-inhibitory activities of selected Thymus species, contributing to the characterization of their overall in vitro biochemical profiles. Full article

To establish a reliable and accurate solid-phase extraction (SPE) pretreatment method for multi-class antibiotics in water and achieve simultaneous determination of 20 antibiotics, including tetracyclines, quinolones, and sulfonamides, key pretreatment parameters were optimized via single-factor experiments in this study. The optimized parameters included pH of acidified water samples, Na₂EDTA dosage, SPE cartridge type, operational conditions, and the type and volume of elution solvent. The validated method was further applied to analyze surface water samples collected from 16 sampling sites in Poyang Lake and its three typical tributaries (Ganjiang River, Jinjiang River, and Yuanhe River) to verify its practicability, reliability, and applicability. Results showed that the optimal pretreatment conditions were as follows: water samples were acidified to pH 3.0, added with 0.2 g Na₂EDTA for metal ion chelation, enriched using Oasis^® HLB cartridges at a loading flow rate of 8–10 mL/min, and dried for 5–30 min until no obvious liquid dripped from the cartridge tip, followed by elution with 12 mL of 0.1% (V:V) formic acid in methanol. Under these conditions, the spiked recoveries of 20 antibiotics in ultrapure water were generally above 80%, and most antibiotics exhibited recoveries exceeding 90%. In addition, the spatial distribution of antibiotic concentrations in the Poyang Lake watershed followed the following order: Jinjiang River > Yuanhe River > Ganjiang River > Poyang Lake. Sulfonamides, especially sulfamethoxazole with a maximum concentration of 250.08 ng·L⁻¹, were identified as the predominant pollutants in this basin. Full article

Global data center electricity demand is projected to double to 945 TWh by 2030, yet no optimization framework jointly sizes renewable generation, battery storage, hydrogen export infrastructure, and flexible computing loads within a single industrial hub. This paper develops a two-layer techno-economic workflow for an integrated renewable–hydrogen–data center hub in Yanbu Industrial City, Saudi Arabia. HOMER Pro provides baseline capacity sizing and dispatch across four scenarios; a Pyomo-based mixed-integer linear program, calibrated to within 2% of the baseline, then extends the system to include a 60 MW data center (30 MW critical, 30 MW flexible), multi-sink hydrogen allocation (domestic, ammonia, methanol), and low-grade waste heat recovery. Battery storage emerges as the dominant cost–carbon lever: its removal raises the levelized cost of electricity (LCOE) from 0.052 to 0.181 USD/kWh (+250%) and increases CO₂ emissions from 1.83 to 2763 kt/yr, a factor of 1510. The Integrated Hub reduces annualized costs by 8.2% (36.9 M USD/yr) and emissions by 28% relative to a separate-build counterfactual, driven by shared PV–battery infrastructure and hydrogen export revenues of 58.5 M USD/yr. Export demand raises the electrolyzer capacity factor from 8.65% to 24.3%, cutting the levelized cost of hydrogen from 10.5 to 6.8 USD/kg. Waste heat recovery reduces the levelized cost of heat by 17%, and co-location lowers the levelized cost of compute by 23% (from 0.055 to 0.042 USD/GPU/hr). These results provide quantitative design principles for industrial hub planners considering data center co-location in high-solar regions with hydrogen export ambitions. Full article