Molecules最新文献

The leaves of Magnoliaceae family plants contain abundant essential oils (EOs), and these species can be used in many fields due to their high industrial, medicinal, and ornamental values. This study aims to identify the main compounds of the EOs from the leaves of five common Magnoliaceae species (Michelia maudiae, Michelia hedyosperma, Michelia macclurei, Manglietia lucida, Manglietia conifer) using hydrodistillation, GC-MS analysis, and in vitro tests. Additionally, the antioxidant and antibacterial activities of the EOs were also evaluated. The results show that 151 compounds were identified across five species, with sesquiterpenes being dominant. Some key compounds (such as β-caryophyllene, δ-amorphene, β-guaiene, globulol, and β-acorenol) were common among all the species, highlighting their crucial roles in plant physiology and resilience. Other compounds (like valeranone and nerolidol in M. maudiae and β-elemene in M. macclurei) were specific, indicating different functions. Among the five species, the essential oil of M. macclurei contains β-elemene and nerolidyl acetate, and it has the weakest antioxidant activity (IC50 value: 2918.61~21,341.98 μg/mL) but the strongest antibacterial activity (inhibition zone diameter: 8.55 ± 0.93~22.92 ± 0.46 mm; LC50 value: 0.02~0.78 mg/mL). Meanwhile, the EO of M. maudiae demonstrated the best antioxidant activity (the IC50 value was 1283.58~6258.32 μg/mL) and the second-best antibacterial activity (the inhibition zone diameter ranged from 7.61 ± 0.02 to 26.92 ± 0.46 mm, and the LC50 value was 0.03~2.28 mg/mL). Overall, the EO of M. maudiae had the best comprehensive performance. Therefore, the EOs of M. macclurei and M. maudiae showed different performances in biological activity categories, and they could be developed and used in different fields, with the possibility of discovering new applications. This brings inspiration to the potential commercial and industrial uses of sesquiterpenes in Magnoliaceae.

Accurate water content detection is crucial for optimizing chemical reactions, ensuring product quality in pharmaceutical manufacturing, and maintaining food safety. In this study, nitrogen and sulfur co-doped graphene quantum dots (R-GQDs) were synthesized via a one-step hydrothermal method using o-phenylenediamine as the carbon source. The synthesis conditions, including reaction time, temperature, o-phenylenediamine concentration, and H₂SO₄/water ratio, were optimized using the Box-Behnken response surface methodology. The R-GQDs exhibited excellent fluorescence stability and distinct solvent-dependent characteristics, alongside a broad linear detection range and high sensitivity, making them highly suitable for dual-mode water content detection (colorimetric and fluorescent). To enhance the accuracy of visual detection, R-GQDs were incorporated into portable test strips with smartphone-assisted analysis, compensating for the human eye's limitations in distinguishing subtle color changes. The sensor's practical utility was validated through spiked recovery experiments in food samples, and the R-GQDs demonstrated good biocompatibility for in vivo imaging in shrimp. These findings highlight a novel strategy for developing portable, real-time water content sensors with potential applications in both portable detection systems and biological imaging.

Polygonatum rhizome is a traditional Chinese medicine of the same origin as food and medicine, and it has high economic value and social benefits. To screen the excellent germplasm resources of Polygonatum kingianum (P. kingianum) and clarify the nutritional and medicinal value of the rhizome of P. kingianum, we used widely targeted metabolomics to analyze the traits and metabolomics of rhizomes of different germplasms of P. kingianum from different growth years. The results showed that different germplasms and growth years of P. kingianum were rich in different nutritional and medicinal components. Among them, Polygonatum kingianum 'Linyun 1' rhizome (PWR) was richer in amino acids and derivatives, alkaloids, and phenolic acids, while Polygonatum kingianum rhizome (PRR) was richer in flavonoids, organic acids, and phenolic acids. Most of the differential compounds were mainly enriched in PRR when the growth year was one, and PWR had a greater variety and higher content of differential compounds in the third year, which also reflected the advantages of Polygonatum kingianum 'Linyun 1' (P. kingianum 'Linyun 1') as an excellent new variety of P. kingianum. The Kyoto Encyclopedia of Genes and Genomes (KEGG) metabolic pathway analysis showed that in P. kingianum with the same age and different germplasms, the significantly enriched metabolic pathway was more active in biosynthesis in PWR. In the same germplasm of P. kingianum from different years, the metabolites involved in PRR were mainly the highest in one-year-old P. kingianum (PR-1) or three-year-old P. kingianum (PR-3), and the metabolites involved in PWR were mainly the highest in three-year-old P. kingianum 'Linyun 1' (PW-3). The above results showed that the three-year-old PWR had more advantages based on chemical substances. Therefore, this study provided a new theoretical reference for the development of P. kingianum products and the breeding of new varieties.

Levodopa (LD) is the first discovered and the most promising and effective medication for Parkinson's disease (PD). As the first identified natural source of LD, Vicia faba L. (broad beans), especially its sprouts, has been confirmed to contain many other potential bioactive compounds that could also be therapeutic for PD. In this study, the bioactive components obtained from broad bean sprout extraction (BSE) that could be beneficial for PD treatment were screened, and the related mechanisms were explored. Solvent extraction combined with column chromatography was used to isolate bioactive fractions and monomer compounds, while UPLC-ESI-MS/MS, HRESI-MS and (¹H, ¹³C) NMR were employed for compound identification. Network pharmacology techniques were applied to screen for potential mechanisms. A total of 52 compounds were identified in a 50% MeOH extract of broad bean sprouts. Moreover, twelve compounds were isolated and identified from ethyl acetate and n-butanol portions, including caffeic acid (1), trans-3-indoleacrylic acid (2), p-coumaric acid (3), protocatechualdehyde (4), isovitexin (5), isoquercetin (6), grosvenorine (7), kaempferol-3-O-rutinoside (8), isoschaftoside (9), narcissin (10), kaempferitrin (11) and trigonelline HCl (12). Compounds 2, 4, 7, 8 and 12 were isolated from Vicia faba L. for the first time. The potential mechanisms were determined by analyzing 557 drug targets, 2334 disease targets and 199 intersections between them using a protein-protein interaction (PPI) network, gene ontology (GO) analysis and Kyoto encyclopedia of genes and genomes (KEGG) enrichment. Further in vitro experiments confirmed that caffeic acid (compound 1) and p-coumaric acid (compound 3) have neuroprotective effects in 6-hydroxydopamine-treated SH-SY5Y cells and lipopolysaccharide-treated PC-12 cells through anti-inflammatory and antioxidant mechanisms. In conclusion, this study explored effective components in broad bean sprouts and performed in vitro evaluations.

Metformin is the gold standard substrate for evaluating potential inhibitors of the organic cation transporters (OCTs). Here, we established a UPLC-MS/MS assay to quantify metformin in cell pellets with a range of 0.05-50 ng/mL using 6-deuterated metformin as an internal standard. We used an ion-pairing chromatographic approach with heptafluorobutyric acid, making use of a reverse-phase column, and overcame the associated ion-suppression via previously established post-column injection of aqueous ammonia. The assay was validated according to the Food and Drug Administration (FDA) and the European Medicines Agency (EMA) recommendations for bioanalytical methods. The established extraction procedure was simple, very fast and ensured almost 100% recovery of the analyte. The exceptionally sharp peak form and retention of the ion-pairing chromatography are superior to other methods and allow us to measure as sensitively as 0.05 ng/mL. We used the herein established and validated method to develop a cellular OCT inhibition assay by using metformin as a substrate and human embryonic kidney cells (HEK) overexpressing the OCTs 1-3. The method presented may be useful for identifying new OCT inhibitors, but also for drug-drug interactions and other pharmacokinetic studies, where accurate quantification of low metformin amounts in relevant tissues is mandatory.

Phytoecdysteroids (PEs) are naturally occurring steroid compounds, that have recently gained significant attention, due to their diverse biological activities and high therapeutic potential. The aim of the present study was to quantify some PEs including 20-hydroxyecdysterone (20-HE), ponasterone A (PA), and turkesterone (TU) in selected plant foods and Rhaponticum carthamoides extract. Furthermore, the effects of 20-HE, TU, and R. carthamoides extract, were investigated with in vitro methods using isolated smooth muscle tissues. The levels of 20-HE in the analyzed samples exhibited significant differences, with kaniwa seed extract containing the highest amount, followed by spinach leaf extract, quinoa seed extract, and asparagus stem extract. The in vitro analyses suggested that R. carthamoides extract exhibits dose-dependent cytotoxic effects on smooth muscle cells, with low doses promoting contraction and higher doses inducing relaxation. Additionally, the extract demonstrated a significant inhibitory effect on ACh-induced contractions, while 20-HE enhanced the contractile response. The current findings highlighted phytoecdysteroids' potential for modifying gastrointestinal motility.

Biomass-derived carbon materials (BDCs) are highly regarded for their renewability, environmental friendliness, and broad potential for application. A significant advantage of these materials lies in the high degree of customization of their physical and chemical properties, especially in terms of pore structure. Pore engineering is a key strategy to enhance the performance of BDCs in critical areas, such as energy storage, catalysis, and environmental remediation. This review focuses on pore engineering, exploring the definition, classification, and adjustment techniques of pore structures, as well as how these factors affect the application performance of BDCs in energy, catalysis, and environmental remediation. Our aim is to provide a solid theoretical foundation and practical guidance for the pore engineering of BDCs to facilitate the rapid transition of these materials from the laboratory to industrial applications.

Chalcone is an aromatic ketone that forms the central core of many important biological compounds. Chalcone derivatives show various biological activities, especially anti-inflammatory, antibacterial, antioxidant, and anticancer activities, and also inhibit melanoma cell growth. In this study, we synthesized chalcone compounds with bis-chalcone's chemical structure under microwave (MW) and microwave-ultrasound (MW-US) conditions and compared them to chalcones produced using the classical synthesis method. All bis-chalcones were synthesized with terephthalaldehyde and an appropriate aromatic ketone as substrates in Claisen-Schmidt condensation. All the obtained compounds were tested regarding their roles as potential anticancer agents. The cytotoxic effect of the bis-chalcones against human MeWo and A375 melanoma cell lines was investigated through colorimetric MTT and SRB assays. The data were analyzed statistically. In the case of the synthesis of bis-chalcones, it was determined that the use of green conditions supported by the MW or MW-US factors led to an increase in the yield of the final products and a reduction in the reaction time compared to the classic method. The biological results showed the high cytotoxic effect of bis-chalcones. The present results show the compounds' high antiproliferative and cytotoxic potential, especially for the two selected bis-chalcone derivatives (3b and 3c), in particular, at concentrations of 50 μM-200 μM at 24, 48 h, and 72 h of incubation. The use of MW and US for the synthesis of bis-chalcones significantly improved the process compared to the classical method. The derivatives containing two hydroxy and two methoxy groups were the most effective against the tested cancer cells.

Following a High-Throughput Screening campaign to discover inhibitors of acid ceramidase, we report the novel and extremely potent covalent inhibitor, 1. Following resynthesis and stability monitoring, we discovered that 1 is chemically unstable and reacts with DMSO at room temperature. This mode of decomposition is likely general for this class of compound, and we urge caution for their use in drug discovery research.

Lithium-sulfur batteries (Li-S batteries) have attracted wide attention due to their high theoretical energy density and the low cost of sulfur cathode material. However, the poor conductivity of the sulfur cathode, the polysulfide shuttle effect, and the slow redox kinetics severely affect their cycling performance and Coulombic efficiencies, especially under low-temperature conditions, where these effects are more exacerbated. To address these issues, this study designs and synthesizes a microspherical cobalt molybdate@reduced graphene oxide (CoMoO₄@rGO) composite material as the cathode material for Li-S batteries. By growing CoMoO₄ nanoparticles on the rGO surface, the composite material not only provides a good conductive network but also significantly enhances the adsorption capacity to polysulfides, effectively suppressing the shuttle effect. After 100 cycles at room temperature with a current density of 1 C, the reversible specific capacity of the battery stabilizes at 805 mAh g^-1. Notably, at -20 °C, the S/CoMoO₄@rGO composite achieves a reversible specific capacity of 840 mAh g^-1. This study demonstrates that the CoMoO₄@rGO composite has significant advantages in suppressing polysulfide diffusion and expanding the working temperature range of Li-S batteries, showing great potential for applications in next-generation high-performance Li-S batteries.