Search Results (1,404)

Seed storability is a crucial agronomic trait and indispensable for the safe storage of rice seeds and grains. Nevertheless, the metabolite mechanisms governing Indica rice seed storability under natural conditions are still poorly understood. Methods: Therefore, the seed storage tolerance of global rice core germplasms stored for two years under natural aging conditions were identified, and two extreme groups with different seed storabilities from the Indica rice group were analyzed using the UPLC-MS/MS metabolomic strategy. Results: Our results proved that the different rice core accessions showed significant variability in storage tolerance, and the metabolite analysis of the two Indica rice pools exhibited different levels of storability. A total of 103 differentially accumulated metabolites (DAMs) between the two pools were obtained, of which 38 were up-regulated and 65 were down-regulated, respectively. Further analysis disclosed that the aging-resistant rice accessions had higher accumulation levels of flavonoids, terpenoids, phenolic acids, organic acids, lignans, and coumarins while exhibiting lower levels of lipids and alkaloids compared to the storage-sensitive rice accessions. The Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis indicated that several biosynthesis pathways were involved in the observed metabolite differences, including alpha-linolenic acid metabolism, butanoate metabolism, and propanoate metabolism. Notably, inhibition of the linolenic acid metabolic pathway could enhance seed storability. Additionally, increased accumulations of organic acids, such as succinic acid, D-malic acid, and methylmalonic acid, in the butanoate and propanoate metabolisms were identified as a beneficial factor for seed storage. Conclusions: These new findings will deepen our understanding of the underlying mechanisms governing rice storability. Full article

Alzheimer’s disease (AD) prevention is a critical challenge for aging societies, necessitating the exploration of food ingredients and whole foods as potential therapeutic agents. This study aimed to identify natural compounds (NCs) with therapeutic potential in AD using an innovative bioinformatics-integrated deep neural analysis approach, combining computational predictions with molecular docking and in vitro experiments for comprehensive evaluation. We employed the bioinformatics-integrated deep neural analysis of NCs for Disease Discovery (BioDeepNat) application in the data collected from chemical databases. Random forest regression models were utilized to predict the IC₅₀ (pIC₅₀) values of ligands interacting with AD-related target proteins, including acetylcholinesterase (AChE), amyloid precursor protein (APP), beta-secretase 1 (BACE1), microtubule-associated protein tau (MAPT), presenilin-1 (PSEN1), tumor necrosis factor (TNF)-α, and valosin-containing protein (VCP). Their activities were then validated through a molecular docking analysis using Autodock Vina. Predictions by the deep neural analysis identified 166 NCs with potential effects on AD across seven proteins, demonstrating outstanding recall performance. The top five food sources of these predicted compounds were black walnut, safflower, ginger, fig, corn, and pepper. Statistical clustering methodologies segregated the NCs into six well-defined groups, each characterized by convergent structural and chemical signatures. The systematic examination of structure–activity relationships uncovered differential molecular patterns among clusters, illuminating the sophisticated correlation between molecular properties and biological activity. Notably, NCs with high activity, such as astragalin, dihydromyricetin, and coumarin, and medium activity, such as luteolin, showed promising effects in improving cell survival and reducing lipid peroxidation and TNF-α expression levels in PC12 cells treated with lipopolysaccharide. In conclusion, our findings demonstrate the efficacy of combining bioinformatics with deep neural networks to expedite the discovery of previously unidentified food-derived active ingredients (NCs) for AD intervention. Full article

Background/Objectives: DPP4 is an enzyme with multiple natural substrates and probable involvement in various mechanisms. It constitutes a drug target for the treatment of diabetes II, although, also related to other disorders. While a number of drugs with competitive inhibitory action and covalent binding capacity are available, undesired side effects exist partly attributed to drug kinetics, and research for finding novel, potent, and safer compounds continues. Despite the research, a low number of uncompetitive and non-competitive inhibitors, which could be of worth for pharmaceutical and mechanism studies, was mentioned. Methods: In the present study sixteen 3-(benzo[d]thiazol-2-yl)-2-aryl thiazolidin-4-ones were selected for evaluation, based on structural characteristics and docking analysis and were tested in vitro for DPP4 inhibitory action using H-Gly-Pro-amidomethyl coumarin substrate. Their mode of inhibition was also in vitro explored. Results: Twelve compounds exhibited IC₅₀ values at the nM range with the best showing IC₅₀ = 12 ± 0.5 nM, better than sitagliptin. Most compounds exhibited a competitive mode of inhibition. Inhibition modes of uncompetitive, non-competitive, and mixed type were also identified. Docking analysis was in accordance with the in vitro results, with a linear correlation of logIC₅₀ with a Probability of Binding Factor(PF) derived using docking analysis to a specific target box and to the whole enzyme. According to the docking results, two probable sites of binding for uncompetitive inhibitors were highlighted in the wider area of the active site and in the propeller loop. Conclusions: Potent inhibitors with IC₅₀ at the nM range and competitive, non-competitive, uncompetitive, and mixed modes of action, one better than sitagliptin, were found. Docking analysis was used to estimate probable sites and ways of binding. However, crystallographic or NMR studies are needed to elucidate the exact way of binding especially for uncompetitive and non-competitive inhibitors. Full article

Background/Objectives: Chronic Venous Insufficiency (CVI) is a progressive vascular condition characterized by venous hypertension and chronic inflammation, leading to significant clinical and socioeconomic impacts. This study aimed to evaluate the efficacy and safety of emerging pharmacological interventions for CVI, focusing on clinical outcomes such as pain, edema, cutaneous blood flow, and quality of life. Methods: Eligible interventions comprised new vasoprotective drugs, such as hydroxyethylrutoside, Pycnogenol, aminaphthone, coumarin + troxerutin, and Venoruton, compared to the standard therapy of diosmin and hesperidin. Results: Hydroxyethylrutoside and Pycnogenol showed significant benefits in pain reduction and resting flux improvement, with mean differences of 38 (95% CI: 10.56–65.44) and 25.30 (95% CI: 18.73–31.87), respectively. Improvements in edema and quality of life were less consistent. Substantial heterogeneity was observed (I² = 100%, p < 0.001). Conclusions: Hydroxyethylrutoside and Pycnogenol emerge as promising alternatives for managing CVI. However, limitations such as high heterogeneity, small sample sizes, and methodological inconsistencies highlight the need for more robust and standardized clinical trials. This study underscores the importance of personalized and cost-effective strategies, particularly in resource-limited settings. Full article

Matcha is a very popular tea food around the world, being widely used in the food, beverage, health food, and cosmetic industries, among others. At present, matcha shade covering methods, matcha superfine powder processing technology, and digital evaluations of matcha flavor quality are receiving research attention. However, research on the differences in flavor and quality characteristics of matcha from the same tea tree variety from different typical regions in China is relatively weak and urgently required. Taking Japan Shizuoka matcha (R) as a reference, the differences in sensory quality characteristics and non-volatile substances of matcha processed with the same tea variety from different regions in China were analyzed. The samples were China Hangzhou matcha (Z1), China Wuyi matcha (Z2), China Enshi matcha (H), and China Tongren matcha (G), which represent the typical matcha of eastern, central, and western China. A total of 1131 differential metabolites were identified in the matcha samples, comprising 118 flavonoids, 14 tannins, 365 organic acids, 42 phenolic acids, 22 alkaloids, 39 saccharides, 208 amino acids and derivatives, 17 lignans and coumarins, seven quinones, 44 nucleotides and derivatives, 14 glycerophospholipids, two glycolipids, 15 alcohols and amines, 140 benzenes and substituted derivatives, 38 terpenoids, 30 heterocyclic compounds, and 15 lipids. Kaempferol-7-O-rhamnoside, 3,7-Di-O-methylquercetin, epigallocatechin gallate, epicatechin gallate, and epigallocatechin were detected in Z1, Z2, H, and G. A total of 1243 metabolites differed among Z1, Z2, and R. A total of 1617 metabolites differed among G, H, and R. The content of non-volatile difference metabolites of Z2 was higher than that of Z1. The content of non-volatile difference metabolites of G was higher than that of H. The 20 key differential non-volatile metabolites of Z1, Z2, G, and H were screened out separately. The types of non-volatile flavor differential metabolites of G and H were more numerous than those of Z1 and Z2. The metabolic pathways, biosynthesis of secondary metabolites, biosynthesis of co-factors, flavonoid biosynthesis, biosynthesis of amino acids, biosynthesis of various plant secondary metabolites, and purine metabolism of metabolic pathways were the main KEGG pathways. This study provides new insights into the differences in metabolite profiles among typical Chinese matcha geographic regions with the same tea variety. Full article

The real-time measurement of the content of impurities such as iron and aluminium ions is one of the keys to quality evaluation in the production process of high-purity lithium carbonate; however, impurity detection has been a time-consuming process for many years, which limits the optimisation of the production of high-purity lithium carbonate. In this context, this work explores the possibility of using water-soluble fluorescent probes for the rapid detection of impurity ions. Salicylaldehyde was modified with the hydrophilic group dl-alanine to synthesise a water-soluble Al³⁺ fluorescent probe (Probe A). Moreover, a water-soluble Fe³⁺ fluorescent probe (Probe B) was synthesised from coumarin-3-carboxylic acid and 3-hydroxyaminomethane. Probe A and Probe B exhibited good stability in the pH range of 4–9 in aqueous solutions, high sensitivity, as well as high selectivity for Al³⁺ and Fe³⁺; the detection limits for Al³⁺ and Fe³⁺ were 1.180 and 1.683 μmol/L, whereas the response times for Al³⁺ and Fe³⁺ were as low as 10 and 30 s, respectively. Electrostatic potential (ESP) analysis and density functional theory calculations identified the binding sites and fluorescence recognition mechanism; theoretical calculations showed that the enhanced fluorescence emission of Probe A when detecting Al³⁺ was due to the excited intramolecular proton transfer (ESIPT) effect, whereas the fluorescence quenching of Probe B when detecting Fe³⁺ was due to the electrons turning off fluorescence when binding through the photoelectron transfer (PET) mechanism. Full article

Cellulose tosylate (MCC-Tos) is a key derivative for surface modification and a crucial precursor for cellulose compatibilization in click reactions, enabling its functionalization for advanced applications. Replacing tosyl groups with alkyne groups broadens cellulose’s potential in biocompatible reactions, such as thiol-yne click chemistry and protein/enzyme immobilization. To achieve this, we optimized the heterogeneous synthesis of MCC-Tos using a Doehlert matrix statistical design, evaluating the influence and interaction of the reaction conditions. The optimized conditions—144 h reaction time, 10:1 molar ratio, and 30 °C—yielded a degree of substitution for tosyl groups (DS_tos) of 1.80, determined via elemental analysis and FTIR-ATR spectroscopy. The reaction kinetics followed a first-order model. A subsequent reaction with propargylamine produced aminopropargyl cellulose (MCC-P_NH), reducing DS_tos by 65%, which was confirmed via FTIR, and improving thermal stability by a margin of 30 °C (TGA/DTG). ¹³C CP/MAS NMR confirmed the alkyne group attachment, further validated via coupling an azide-functionalized coumarin through copper(I)-catalyzed alkyne-azide cycloaddition (CuAAC). Fluorescence microscopy and UV spectroscopy were used to estimate a substitution degree of 0.21. This study establishes a feasible route for synthesizing alkyne-functionalized cellulose, paving the way for eco-friendly materials, including protein/enzyme bioconjugates, composites, and advanced materials via thiol-yne and CuAAC reactions. Full article

A comparative metabolomic study of three varieties of wild Rosa (Rosa acicularis, Rosa amblyotis, and Rosa rugosa) from a Kamchatka expedition (2024) was conducted via extraction with supercritical carbon dioxide modified with ethanol (EtOH), and detection of bioactive compounds was realized via tandem mass spectrometry. Several experimental conditions were investigated in the pressure range 50–350 bar, with the used volume of co-solvent ethanol in the amount of 2% in the liquid phase at a temperature in the range of 31–70 °C. The most effective extraction conditions are the following: pressure 200 Bar and temperature 55 °C for Rosa acicularis; pressure 250 Bar and temperature 60 °C for Rosa amblyotis; pressure 200 Bar and temperature 60 °C for Rosa rugosa. Three varieties of wild Rosa contain various phenolic compounds and compounds of other chemical groups with valuable biological activity. Tandem mass spectrometry (HPLC-ESI–ion trap) was applied to detect the target analytes. A total of 283 bioactive compounds (two hundred seventeen compounds from the polyphenol group and sixty-six compounds from other chemical groups) were tentatively identified in extracts from berries of wild Rosa. For the first time, forty-eight chemical constituents from the polyphenol group (15 flavones, 14 flavonols, 4 flavan-3-ols, 3 flavanones, 1 phenylpropanoid, 2 gallotannins, 1 ellagitannin, 4 phenolic acids, 1 dihydrochalcone, and 3 coumarins) were identified in supercritical extracts of R. acicularis, R. amblyotis, and R. rugosa. Full article

Although COVID-19 is not a pandemic anymore, the virus frequently mutates, resulting in new strains and presenting global public health challenges. The lack of oral antiviral drugs makes it difficult to treat him, which makes the creation of broadly acting antivirals necessary to fight current and next epidemics of viruses. Using the molecular docking approach, 118 compounds derived from marine organisms and 92 previously synthesized compounds were screened to assess their binding affinity for the main protease and papain-like protease enzymes of SARS-CoV-2. The best candidates from the xanthene, benzoxazole, and coumarin classes were identified. Marine-derived compounds showed slightly better potential as enzyme inhibitors, though the binding affinities of synthesized compounds were similar, with the best candidates displaying affinity values between 0.2 and 0.4 mM. Xanthenes, among both marine origin and synthesized compounds, emerged as the most promising scaffolds for further research as inhibitors. The papain-like protease was found to be more druggable than the main protease. Additionally, all top candidates met the criteria for various drug-likeness properties, indicating good oral bioavailability and low risk of adverse effects. This research provides valuable insights into the comparative affinities of marine origin and synthesized compounds from the xanthene, coumarin, and benzoxazole classes, highlighting promising candidates for further in vitro and in vivo studies. Full article

Ligand fishing is a promising strategy for the screening of active ingredients from complex natural products. In this work, human tyrosinase (hTYR) was displayed on the surface of Chinese hamster ovary (CHO) cells for the first time; it was then used as bait to develop a new method for ligand fishing. The localization of hTYR on the CHO cell surface was verified by an enzyme activity test and fluorescence microscopy. The displayed tyrosinase (CHO@hTYR) maintained relatively stable enzymatic activity (82.59 ± 2.70%) within 7 days. Furthermore, it can be reused for fishing five times. Guided by the proposed ligand fishing method, four tyrosinase inhibitors, including 4-methoxy-5-methyl coumarin (1), cupressuflavone (2), amentoflavone (3), and 3,4-dimethoxy-5-methyl coumarin (4), were isolated from Alhagi sparsifolia, and the active fraction with low polarity was isolated from Coffea arabica; these two medicinal plants possess skin-lightening potential. All the isolated tyrosinase inhibitors significantly reduced the intracellular tyrosinase activity and melanin level in B16 cells enhanced by α-MSH. Meanwhile, the active fraction (100 μg/mL) from C. arabica exhibited stronger inhibitory effects than the positive controls (α-arbutin and kojic acid) by recovering them to the normal levels. This work demonstrated the promising application of the cell surface display in the field of ligand fishing and is helpful in unveiling the chemical basis of the skin-lightening effect of A. sparsifolia and C. arabica. Full article

Plant botanical extracts are recognized for being a source of biologically active phytochemicals that potentially have diverse applications. The phytochemical composition, potential cytotoxicity, and insecticidal effectiveness of three leaf extracts from the folkloric medicinal plant Mammea americana L. (Calophyllaceae) were investigated. Micro-Soxhlet extraction with chloroform, dichloromethane, and methanol was used, and key phytochemicals were identified via Gas Chromatography-Mass Spectrometry (GC-MS). The extracts were mainly composed of sesquiterpenes, carboxylic acids, coumarins, esters, diterpenes, and other bioactive compounds. Potential cytotoxicity was assessed using brine shrimp lethality tests, where all extracts displayed high toxicity to Artemia salina. The dichloromethane extract (MAD) had the lowest LC₅₀ value (8.39 μg/mL), followed by methanol extract (MAM, 11.66 μg/mL) and chloroform extract (MAC, 12.67 μg/mL). Insecticidal activity was tested against Ferrisia sp. (Hemiptera:Pseudococcidae), demonstrating the highest efficacy with the methanolic extract (LC₅₀ = 5.90 mg/mL after 48 h). These findings provide a basis for further research into the bioactive components of Mammea americana leaves, particularly their antibacterial, anti-inflammatory, and anticancer properties. It also highlights the potential of Mammea americana L. leaf extracts as botanical insecticides due to their high bioactivity against agricultural pests of economic significance. This is the first study that evaluates the insecticidal activity of Mammea americana leaf extracts against Ferrisia sp. insects, offering valuable insights into using plant-based natural products in pest control. Full article

Background: Angelicae Dahuricae Radix (ADR) is used as both a traditional Chinese medicine and a food ingredient in China and East Asian countries. ADR is generally sun-dried post-harvest but is sometimes sulfur-fumigated to prevent decay and rot. Although there are some studies on the effect of sulfur fumigation on ADR, they are not comprehensive. Methods: This study used HPLC fingerprinting, matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI), in vitro anti-inflammatory assays, and metabolite analysis in blood based on UPLC-MS/MS to assess the impact of sulfur fumigation on the active ingredients of ADR. Results: There were significant decreases in specific coumarins and amino acids, particularly byakangelicol, oxypeucedanin, L-proline, and L-arginine, following sulfur fumigation. Among the 185 metabolites in blood, there were 30 different compounds, and oxypeucedanin was the most obvious component to decrease after sulfur fumigation. ADR showed anti-inflammatory activity regardless of sulfur fumigation. However, the effects on the production of cytokines in LPS-induced RAW264.7 cells were different. Conclusions: Chemometric analysis and in vitro anti-inflammatory studies suggested that byakangelicol and oxypeucedanin could serve as potential quality markers for identifying sulfur-fumigated ADR. These findings provide a chemical basis for comprehensive safety and functional evaluations of sulfur-fumigated ADR, supporting further research in this field. Full article

Reducing photoinitiator migration from photocured coatings remains a critical challenge, particularly for applications in food packaging and healthcare products. Here, we report a series of novel UV-LED sensitive oxime ester photoinitiators that possess self-anchoring ability through incorporating polymerizable double bonds into the coumarin chromophore. All photoinitiators exhibit strong absorption around 340 nm and efficient photolysis under 365 nm LED irradiation, showing good initiating efficiency in acrylates and thiol-ene formulations. Migration studies show that the incorporation of polymerizable groups at the oxime ester terminus reduces the migration rate of the residual photoinitiator from 81% to 16.3%, while introducing an allyl group into the coumarin structure further decreases it to 5% and potentially suppresses the migration of low-molecular-weight photolysis products. The dual-functionalized derivative achieves the lowest migration rate of 3%. This molecular design strategy provides an effective approach toward safe UV-LED curable coatings with minimal photoinitiator migration. Full article

Excessive copper (Cu) has become a common physiological disorder restricting the sustainable production of citrus. Coumarin (COU) is a hydroxycinnamic acid that can protect plants from heavy metal toxicity. No data to date are available on the ameliorative effect of COU on plant Cu toxicity. ‘Xuegan’ (Citrus sinensis (L.) Osbeck) seedlings were treated for 24 weeks with nutrient solution containing two Cu levels (0.5 (Cu0.5) and 400 (Cu400) μM CuCl₂) × four COU levels (0 (COU0), 10 (COU10), 50 (COU50), and 100 (COU100) μM COU). There were eight treatments in total. COU supply alleviated Cu400-induced increase in Cu absorption and oxidative injury in roots and leaves, decrease in growth, nutrient uptake, and leaf pigment concentrations and CO₂ assimilation (A_CO2), and photo-inhibitory impairment to the whole photosynthetic electron transport chain (PETC) in leaves, as revealed by chlorophyll a fluorescence (OJIP) transient. Further analysis suggested that the COU-mediated improvement of nutrient status (decreased competition of Cu²⁺ with Mg²⁺ and Fe²⁺, increased uptake of nutrients, and elevated ability to maintain nutrient balance) and mitigation of oxidative damage (decreased formation of reactive oxygen species and efficient detoxification system in leaves and roots) might lower the damage of Cu400 to roots and leaves (chloroplast ultrastructure and PETC), thereby improving the leaf pigment levels, A_CO2, and growth of Cu400-treated seedlings. Full article

Smart fibers with tunable luminescence properties, as a new form of visual output, present the potential to revolutionize personal living habits in the future and are receiving more and more attention. However, a huge challenge of smart fibers as wearable materials is their stretching capability for seamless integration with the human body. Herein, stretchable thermochromic fluorescent fibers are prepared based on self-crystallinity phase change, using elastic polyurethane (PU) as the fiber matrix, to meet the dynamic requirements of the human body. The switching fluorescence-emitting characteristic of the fibers is derived from the reversible conversion of the dispersion/aggregation state of the fluorophore coumarin 6 (C6) and the quencher methylene blue (MB) in the phase-change material hexadecanoic acid (HcA) during heating/cooling processes. Considering the important role of phase-change materials, thermochromic fluorescent dye is encapsuled in the solid state via the piercing–solidifying method to avoid the dissolution of HcA by the organic solvent of the PU spinning solution and maintain excellent thermochromic behavior in the fibers. The fibers obtained by wet spinning exhibit good fluorescent emission contrast and reversibility, as well as high elasticity of 800% elongation. This work presents a strategy for constructing stretchable smart luminescence fibers for human–machine interaction and communications. Full article