Main Compounds Research Articles

Combining In Vitro, In Vivo, and Network Pharmacology Assays to Identify Targets and Molecular Mechanisms of Spirulina-Derived Biomolecules against Breast Cancer.

The current research employed an animal model of 7,12-dimethylbenz(a)anthracene (DMBA)-induced mammary gland carcinogenesis. The estrogen receptor-positive human breast adenocarcinoma cell line (MCF-7) was used for in vitro analysis. This was combined with a network pharmacology-based approach to assess the anticancer properties of Spirulina (SP) extract and understand its molecular mechanisms. The results showed that the administration of 1 g/kg of SP increased the antioxidant activity by raising levels of catalase (CAT) and superoxide dismutase (SOD), while decreasing the levels of malonaldehyde (MDA) and protein carbonyl. A histological examination revealed reduced tumor occurrence, decreased estrogen receptor expression, suppressed cell proliferation, and promoted apoptosis in SP protected animals. In addition, SP disrupted the G2/M phase of the MCF-7 cell cycle, inducing apoptosis and reactive oxygen species (ROS) accumulation. It also enhanced intrinsic apoptosis in MCF-7 cells by upregulating cytochrome c, Bax, caspase-8, caspase-9, and caspase-7 proteins, while downregulating Bcl-2 production. The main compounds identified in the LC-MS/MS study of SP were 7-hydroxycoumarin derivatives of cinnamic acid, hinokinin, valeric acid, and α-linolenic acid. These substances specifically targeted three important proteins: ERK1/2 MAPK, PI3K-protein kinase B (AKT), and the epidermal growth factor receptor (EGFR). Network analysis and molecular docking indicated a significant binding affinity between SP and these proteins. This was verified by Western blot analysis that revealed decreased protein levels of p-EGFR, p-ERK1/2, and p-AKT following SP administration. SP was finally reported to suppress MCF-7 cell growth and induce apoptosis by modulating the PI3K/AKT/EGFR and MAPK signaling pathways suggesting EGFR as a potential target of SP in breast cancer (BC) treatment.

Discrepancies between the stated contents and analytical findings for electronic cigarette liquid products: Identification of the new cannabinoid, Δ9-tetrahydrocannabihexol acetate.

A number of synthetic cannabinoids have been appearing in the recreational drug market for more than a decade. Recent additions are so-called semi-synthetic cannabinoids, and they structurally closely resemble the main psychoactive component of cannabis, Δ9-tetrahydrocannabinol. Knowledge of new (semi-)synthetic cannabinoids is essential to help identify them in authentic forensic case samples. Therefore, the aim of the study was to examine two commercially available electronic cigarette liquid products claiming to contain cannabinoids and characterize the structures of the main compounds. The liquid products were analyzed by gas chromatography-mass spectrometry (GC-MS), GC-quadrupole time-of-flight mass spectrometry (GC-QTOF-MS), and liquid chromatography-high-resolution mass spectrometry (LC-HRMS). In product A, typical cannabinoids (cannabidiol, cannabigerol, and cannabinol) and terpenes (α-caryophyllene and β-caryophyllene) were identified by comparison with reference materials. An unknown peak was isolated by semi-preparative high-performance LC, analyzed by nuclear magnetic resonance (NMR) spectroscopy, and identified to be Δ9-tetrahydrocannabihexol acetate (Δ9-THCH-O). To the authors' knowledge, this is the first report of the identification of Δ9-THCH-O in commercially available products. Another compound estimated as cannabihexol acetate was also detected. In product B, cannabidiol, cannabinol, α-caryophyllene, and β-caryophyllene were identified, while two unknown peaks were estimated as tetrahydrocannabidiol isomers. Despite products A and B being labeled to contain "60% HHCPM" and "80% 10-OH-HHC," respectively, no such compounds were detected. The findings of this study could help detect Δ9-THCH-O in case samples and highlight the need to keep monitoring commercial products to identify new drugs, while warning that the package labels cannot be trusted.

Real-time tracking of fish quality using a cellulose filter paper colorimetric indicator incorporated with prickly pear fruit betacyanins

In the present work, a freshness indicator was developed by immobilizing extracted betacyanins from prickly pear fruit (PFB) onto cellulose filter paper to visually determine fish spoilage. Various properties of the prepared indicator, including color stability, moisture uptake, sensivity to hydrogen sulfide (H2S) gas and pH changes, and chemical analysis were studied. The PFB-based indicator exhibited good color stability at various temperatures and times, with no significan color changes observed during storage at 25, 4, and −18 °C for 8 days. The moisture absorption of the indicator based on PFB was lower than that of cellulose paper, which is crucial for colorimetric indicators. Basic nitrogen and sulfur compounds are the main volatile compounds produced during fish spoilage. The results of the present study showed that both total volatile basic nitrogen (TVB-N) and H2S gas produced during fish spoilage contributed to the color changes of betacyanin-based colorimetric indicators. The prepared freshness indicators were pH-sensitive, with significant color changes due to TVB-N and H2S production during fish storage. A significant correlation was observed between fish quality (pH, TVB-N and total viable count) and the visible color changes of the indicators. The color of the designed indicator shifted from dark pink to pale pink/white during fish storage. These prepared freshness indicators were inexpensive, easy to use, and non-toxic, making them suitable for assessing the quality and shelf life of fish fillets.

Protective Effect of Caffeine and Chlorogenic Acids of Coffee in Liver Disease.

Coffee is one of the most widely consumed beverages in the world due to its unique aroma and psychostimulant effects, mainly due to the presence of caffeine. In recent years, experimental evidence has shown that the moderate consumption of coffee (3/4 cups per day) is safe and beneficial to human health, revealing protective effects against numerous chronic metabolic diseases such as diabetes, cardiovascular, neurodegenerative, and hepatic diseases. This review focuses on two of coffee's main bioactive compounds, i.e., caffeine and chlorogenic acids, and their effects on the progression of chronic liver diseases, demonstrating that regular coffee consumption correlates with a lower risk of the development and progression of non-alcoholic steatohepatitis, viral hepatitis, liver cirrhosis, and hepatocellular carcinoma. In particular, this review analyzes caffeine and chlorogenic acid from a pharmacological point of view and explores the molecular mechanism through which these compounds are responsible for the protective role of coffee. Both bioactive compounds, therefore, have antifibrotic effects on hepatic stellate cells and hepatocytes, induce a decrease in connective tissue growth factor, stimulate increased apoptosis with anti-cancer effects, and promote a major inhibition of focal adhesion kinase, actin, and protocollagen synthesis. In conclusion, coffee shows many beneficial effects, and experimental data in favor of coffee consumption in patients with liver diseases are encouraging, but further prospective studies are needed to demonstrate its preventive and therapeutic role in chronic liver diseases.

Integrative analyses of metabolome and transcriptome reveal the dynamic accumulation and regulatory network in rhizomes and fruits of Polygonatum cyrtonema Hua

BackgroundAccording to Chinese ancient books, both fruits and rhizomes of Polygonatum cyrtonema Hua have medicinal and edible values. Up to now, there is no report about the metabolite profiles and regulatory network in fruits and different year-old rhizomes of P. cyrtonema.ResultsIn this study, we performed integrative analyses of metabolome and transcriptome to reveal the dynamic accumulation and regulatory network of fruits and different year-old rhizomes in P. cyrtonema. The relative content of phenolic acids, lignans and coumarins, flavonoids and alkaloids increased with growth years, while steroids and lipids decreased with it. In addition, the relative content of nucleotides and derivatives, flavonoids, organic acids, steroids and lipids in fruits were higher than rhizomes. Genes that might relate to the biosynthesis of polysaccharides, flavonoids, triterpene saponins and alkaloids biosynthesis were further analyzed by transcriptome analysis, including sacA, GMPP, PMM, CCoAOMT, CHI, ANR, CHS, DXS, GGPS, ZEP, CYP72A219 and so on, for their expressions were positively correlated with the relative content of the metabolites. Additionally, the correlation network in sugar and aromatic amino acids metabolites were constructed to further illustrate the biosynthesis of polysaccharides, flavonoids and alkaloids in P. cyrtonema, and some transcription factors (TFs) were screened, such as C2C2, MYB, bZIP, GRAS and NAC.ConclusionsThis study can deepen our understanding of the accumulation patterns and molecular mechanism of the main compounds in P. cyrtonema, and provide reference for the standardize production of P. cyrtonema.

Exudate and Propolis from Escallonia pulverulenta: Phytochemical Characterization and Antibacterial Activity.

Propolis is a complex mixture formed from exudates that bees collect from plants and then mix with beeswax and their own salivary enzymes. Chilean propolis is characterized by the presence of phenolic compounds, which are considered responsible for the biological activities. The endemic species Escallonia pulverulenta (Ruiz and Pav.) Pers. [Escalloniaceae] is a recognized source of exudate to produce propolis. This study reports for the first time the chemical profile and antibacterial activity of E. pulverulenta exudate and leaves, as well as two samples of Chilean propolis. Palynological and morphological analysis showed the presence of E. pulverulenta as one of the main species in the propolis samples. UPLC-MS/MS analyses enabled the identification of phenolic acids in the leaves and in the propolis. Conversely, flavonoids are mainly present in exudates and propolis. Quercetin is the most abundant flavonol in the exudate, with similar concentrations in the propolis samples. Nevertheless, the main compound present in both samples of propolis was the flavanone pinocembrin. The antibacterial results obtained for exudate and propolis have shown a similar behavior, especially in the inhibition of Streptococcus pyogenes. These results show the importance of the exudates collected by the bees in the chemical composition and antibacterial capacity of propolis.

Development and antioxidant evaluation of mango leaf (Mangifera indica L.) extract loaded silk fibroin nanoparticles

The main antioxidant polyphenol compounds in the mango (Mangifera indica L.) leaf extract are susceptible to environmental degradations. Thus, in biomedical applications, the mango leaf extract is commonly encapsulated in a carrier. However, most studies employed the synthetic carrier materials that could affect the human health, and the complicated formulation procedure that could hinder the scalability. Therefore, this work, for the first time, explored the use of silk fibroin (an FDA-approved biomaterial), in nanoparticles platform, to encapsulate and deliver the mango leaf extract, utilizing the simple coacervation preparation method. Initially, the mango leaf ethanolic extract was obtained through maceration, resulting in a total phenolic content of 76.39 ± 0.14 mg GAE/g DPW and a notably high antioxidant activity (IC50 = 6.872 ± 0.512 μg/mL). Subsequently, silk fibroin nanoparticles loaded with the extract were developed by the coacervation technique. Depending on the fibroin content, these nanoparticles exhibited an appropriate size range of 500–800 nm with narrow size distributions, a spherical shape with smooth surfaces, a dominant silk-II crystalline structure, a drug entrapment efficiency exceeding 70%, and retained the main biomarker mangiferin. Moreover, the phenolic-compounds release profiles from the particles followed the three-step process, the first burst-release step, the second sustained-release step, and the third degradation step. The particles were also non-toxic to the erythrocytes and the human embryonic kidney HEK-293 cell line. Lastly, the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay demonstrated that the antioxidant activity of the mango leaf extract was preserved within the extract-loaded nanoparticles. The results suggested that the silk fibroin nanoparticles could be a potential platform to effectively encapsulate and deliver the mango leaf extract for biomedical purposes.

Comparative Analysis of a Secondary Metabolite Profile from Leaves, Peel and Bulbs of Allium sativum L. by GC-MS

Garlic is a herbal plant that is widely used as a medicinal ingredient, because it contains secondary metabolite compounds such as alkaloids, flavonoids, tannins, phenols, terpenoids and saponins. The secondary metabolite content of plants is influenced by genetic, ontogenic, morphogenetic and environmental factors that can influence the biosynthesis and accumulation of secondary metabolites. Garlic is generally only used for the bulbs, while other parts such as the leaves and skin are still not widely used. This study aims to identify the secondary metabolite profile of ethanol extract of garlic leaves, bulbs and peels using the gas chromatography mass spectrometry (GC-MS) method. Identification of secondary metabolite compounds contained in each 70% ethanol extract was analyzed using the tube test, thin layer chromatography (TLC) and GC-MS methods. The results of analysis of secondary metabolite content using the tube test and TLC method showed that the ethanol extract of garlic leaves, skin and bulbs positively contained flavonoids, tannins, phenols and saponins. The results of secondary metabolite profile analysis using the GC-MS method from the ethanol extract of garlic skin and bulbs showed that 5 compounds were obtained with the main compound being 3,4-Dihydroxyphenylacetic acid and 23 compounds with the main compound being 1,2-Benzenedicaboxylic acid and palmitic acid, while the leek extract white only detected 1 compound. The conclusion is that the ethanol extract of garlic leaves, skin and bulbs has secondary metabolites in the form of flavonoids, tannins, phenols and saponins. There are differences in the profile of secondary metabolite compounds in the ethanol extract of garlic leaves, skin and bulbs in terms of the results of GC-MS analysis.

Dietary Effect of Curcumin on Amino Acid, Fatty Acid, and Volatile Compound Profiles of Chicken Meat.

This study investigated the dietary effect of curcumin (CUR) on amino acid, 5'-nucleotides, fatty acid, and volatile compound profiles of chicken meat. A total of 400 healthy 1-day-old broiler male chicks were divided into 4 groups (n = 10) and fed either a basal diet or a diet with the addition of CUR with concentrations of 100 mg/kg, 150 mg/kg, and 200 mg/kg for 43 days. The results show that the addition of CUR in chicken diets is conducive to promoting the deposition of amino acids and increasing the content of 5'-nucleotides in chicken meat, reducing the contents of saturated fatty acid (SFA) and C20:4 n6 but increasing the ratio between polyunsaturated fatty acid (PUFA) and SFA. In addition, the volatile compound profile shows that the main volatile compounds in chicken meat are aldehydes (including hexanal, heptanal, octanal, and nonanal), with significant increases in their contents observed among chickens in the CUR-intake group. Moreover, it has been found that (E, E)-2,4-nonadienal, trans-2-decenal, benzaldehyde, and trans-2-octenal in chicken meat can significantly increase its overall aroma, and the addition of CUR with 150 mg/kg had the best effect on improving nutritional quality and flavor of chicken meat. This study provides a basis for the comprehensive utilization of CUR as a feed additive with the potential to substitute antibiotics.

Flavoromics Analysis of Passion Fruit-Roasted Chicken.

Currently, research on the flavor components and their dynamic changes in roasted chicken with a special flavor is rare. In this study, a passion fruit-roasted chicken was prepared, its characteristic flavor components were profiled by flavoromics, and their evolution patterns and precursors were determined. The results showed that the characteristic flavor component with the highest contribution rate was ethyl butyrate (50.44%). In particular, some unique flavor compounds were identified compared with other roasted chicken products available. The main volatile flavor components in all stages of processing were alcohols, esters, and hydrocarbons, 15 to 30 min of roasting is an important stage for establishing the aroma system, and at the end, hydrocarbons were the main volatile compounds. During the 30-day storage period, the characteristic flavor components included ethyl butyrate, ethyl maltol, β-caryophyllene, and guaiacene. In conclusion, passion fruit-roasted chicken contained many characteristic flavor components, which were mainly formed within 15 to 30 min of roasting and were basically stable during the 30-day storage period. In a word, this work prepared a novel roasted chicken and revealed its mechanism of flavor formation at different baking stages and storage periods, which provided references for industrial production.

Extraction Kinetics of Brazilian Green Propolis and Chemical Characterization of its Volatiles.

Propolis is a natural resinous product produced by Apis mellifera bees from the exudates of various plants. The color of propolis (green) is a consequence of its botanical origin, as bees collect young tissues and leaves of Baccaris dracunculifolia. This study evaluated the chemical composition and extraction kinetics of essential oils obtained from Brazilian green propolis by hydrodistillation. Hydrodistillation was performed for 360 min and analyzed at different times (30, 60, 120, 240, and 360 min), allowing the calculation of the accumulated content (% w/w) and the identification of the essential oil chemical profile. The GC/FID and GC/MS analysis led to the annotation of 60 compounds with estragole (13.30 %), benzyl propanoate (14.59 %), and (E)-nerolidol (13.57 %) as the main compounds. The optimum conditions for extraction of phenylpropanoids (PP), hydrocarbons (HD), monoterpenes (MT), and oxygenated monoterpenes (OMT) are between 30 and 120 min. In comparison, sesquiterpenes (ST) and oxygenated sesquiterpenes (OST) are extracted more efficiently between 240 and 360 min. The optimal extraction speed determination is essential for industrial-scale processing to obtain components such as sesquiterpenes, which have a high economic value in the cosmetic/perfumery and pharmaceutical industries.

Pressurized liquid extraction followed by high-performance liquid chromatography for determination of beta-ecdysone extracted from Pfaffia glomerata (Spreng.) Pedersen

Pfaffia glomerata (Spreng.) Pedersen has among its main bioactive compounds saponins, with the phytoestroid β-ecdysone as its chemical marker. In this study, pressurized liquid extraction (PLE), a green extraction technique used to obtain bioactive compounds from plants, was employed to extract beta-ecdysone from P. glomerata leaves, stems, and roots. The 22 factorial design was used with the variables temperature (333 K and 353 K) and flow rate (1.5 and 2 mL min−1), pressure (300 Bar), time (60 min), and solvent [ethanol and distilled water (70:30 (v/v)] were kept constant for all parts of the plant. The results of experimental responses demonstrated that the factors temperature and flow rate significantly interfere with the yields of leaf (0.499%), root (0.65%) and stem (0.764%) extracts. The latter presented presents the highest yield compared to the other parts of the plant. HPLC results showed the presence of beta-ecdysone in all parts of the plant with concentrations of β-ecdysone 86.82, 76.53 and 195.86 mg L−1 to leaf, root and stem, respectively. FT Raman results exhibited typical peaks of beta-ecdysone, such as 3310 cm−1, 1654 cm−1, and 1073 cm−1 for all plant parts. Another interesting result was the presence of the peak at 1460 cm−1 in the PLE root extract can be associated with selenium. This foundational knowledge confirms that the PLE extraction process was efficient in obtaining the chemical marker of Pfaffia glomerata in all plant parts.

The Volatile Composition and the Potential Health Benefits of Different Microalgae Strains.

The use of microalgae as a food ingredient has been gaining attention in recent years due to its nutritional benefits. The main goals of this study were to (i) assess the nutritional potential of Chlorella vulgaris, Tetraselmis chuii, Microchloropsis gaditana, and Phaeodactylum tricornutum; (ii) evaluate their bioactive properties (antioxidant activity, total phenolic content, and α-amylase inhibitory activity) and (iii) assess the main volatile compounds composition. The protein content was considerably high (32-44 mg/100 g dw) for all the microalgae strains. The DPPH scavenging potential range was 14-25 mg Trolox/100 g dw (highest for T. chuii) and the ferric reducing power ability range was 13-67 µmol Trolox/dw (higher for T. chuii). The total phenolic content range was 2-7 mg of gallic acid equivalents/g dw, for M. gaditana and T. chuii, respectively, which was mainly due to the presence of catechin (1-9 µg/g dw), epicatechin (3-29 µg/g dw), and vanillic acid (1-14 µg/g dw). The ɑ-amylase inhibitory potential range was 26-42%. C. vulgaris was richer in chlorophyll a (18 mg/g dw), whilst T. chuii was particularly rich in chlorophyll b (29 mg/g dw). P. tricornutum showed the highest carotenoid content (4 mg/g dw). Aldehydes and alkanes were the major compounds identified in M. gaditana, whereas alcohols and N-based compounds existed in higher amounts in P. tricornutum. T. chuii and C. vulgaris were enriched in ketones and alkenes. This study's novelty lies in its comprehensive and integrative analysis of the nutritional, bioactive, and volatile properties of four distinct microalgae strains. By providing detailed comparisons and highlighting potential applications in functional foods, it offers a unique contribution to the field of microalgae research and its practical application in the food industry. This multifaceted approach sets it apart from existing studies, offering new insights and opportunities for leveraging microalgae as valuable food ingredients.

Exploring the Mechanism of Topical Application of Clematis Florida in the Treatment of Rheumatoid Arthritis through Network Pharmacology and Experimental Validation.

Clematis Florida (CF) is a folk medicinal herb in the southeast of China, which is traditionally used for treating osteoarticular diseases. However, the mechanism of its action remains unclear. The present study used network pharmacology and experimental validation to explore the mechanism of CF in the treatment of rheumatoid arthritis (RA). Liquid chromatography-mass spectrometry (LC-MS/MS) identified 50 main compounds of CF; then, their targets were obtained from TCMSP, ETCM, ITCM, and SwissTargetPrediction databases. RA disease-related targets were obtained from DisGeNET, OMIM, and GeneCards databases, and 99 overlapped targets were obtained using a Venn diagram. The protein-protein interaction network (PPI), the compound-target network (CT), and the compound-potential target genes-signaling pathways network (CPS) were constructed and analyzed. The results showed that the core compounds were screened as oleanolic acid, oleic acid, ferulic acid, caffeic acid, and syringic acid. The core therapeutic targets were predicted via network pharmacology analysis as PTGS2 (COX-2), MAPK1, NF-κB1, TNF, and RELA, which belong to the MAPK signaling pathway and NF-κB signaling pathway. The animal experiments indicated that topical application of CF showed significant anti-inflammatory activity in a mouse model of xylene-induced ear edema and had strong analgesic effect on acetic acid-induced writhing. Furthermore, in the rat model of adjuvant arthritis (AA), topical administration of CF was able to alleviate toe swelling and ameliorate joint damage. The elevated serum content levels of IL-6, COX-2, TNF-α, IL-1β, and RF caused by adjuvant arthritis were reduced by CF treatment. Western blotting tests showed that CF may regulate the ERK and NF-κB pathway. The results provide a new perspective for the topical application of CF for treatment of RA.

Chemical characterization and cytotoxic effect of three edible fungi (Morchella) against breast cancer cells: A therapeutic approach

Current breast cancer therapeutics are associated with short-term efficacy, increased drug resistance, and severe adverse reactions, thus demanding the development of new therapeutic approaches. This present study aimed to explore the cytotoxic activity of Morchella extracts in the context of the MCF-7 cell line (breast cancer) and ultra-performance liquid chromatography mass spectroscopy (UPLC-MS) analysis. The cytotoxic activity of the Morchella conica, Morchella delicosa, and Morchella escuelnta extracts was examined against the breast cancer cell line (MCF-7), using a 3-[4,5-dimethylthiazol-2-yl]-2,5 diphenyl tetrazolium bromide) assay (MTT assay). The Morchella extracts were screened for the presence of compounds using ultra-performance liquid chromatography mass spectroscopy (UPLC-MS/MS) based analysis. All the Morchella extracts actively restricted the viability and proliferation of breast cancer cells in a dose-dependent manner, with half maximal inhibitory concentration (IC50) values ranging from 0.017 to 0.68 mg/ml. The main compounds identified in Morchella include alkaloid, sterol, flavonoid, terpenoid, fatty acid, peptide, glutamic acid, amino acid, coumarin, and cyclopyrrolone. In conclusion, Morchella extracts exhibited cytotoxic effects against breast cancer cell lines and decreased the viability of MCF-7 cell line. The Morchella compounds might be the main components contributing to the inhibition of breast cancer cells. The findings of this research offer an innovative framework for advanced investigations for the development of cancer therapeutics from this fungus.

Antiviral and Cytotoxic Activities of Ilex aquifolium Silver Queen in the Context of Chemical Profiling of Two Ilex Species.

The leaves of Ilex paraguariensis (known as Yerba mate), used as a popular beverage, are a very well-recognized plant material with various biological activities, including analeptic (because of caffeine), anti-obesity (phenolics, saponins), antimicrobial, and antiviral (phenolics, saponins). Here, the chemical compositions of the leaves of two European Ilex species (× meserveae and aquifolium) with three varieties each were investigated. The terpenoid, saponin, and polyphenolic fractions were submitted for LC-MS or GC-MS analysis against a standard Mate leaf. In addition, the aroma profiles of all the species were analysed using HS-SPME-Arrow prior to GC-MS analysis. All fractions were subjected to antiviral and cytotoxic assays. We found 86 compounds in all accessions, with limonene, linalool, and p-cymene being predominant. There were minor similarities between the volatile compositions of the European and South American species. We found ursolic and oleanolic acid to be the main compounds in the terpenoid fraction. Mono-caffeoylquinic acids and di-caffeoylquinic acids were the main constituents of the polar fractions. About 180 compounds from the saponin group were tentatively identified, of which 9 and 3 were selected as distinctive markers for I. meserveae and I. aquifolium, respectively. Based on chemical screening, I. aquifolium Silver Queen was chosen as the source of terpenoid and saponin fractions and polyphenol extracts. The most substantial inhibition of cancer cell growth was observed with saponin in the case of the MCF7 (human breast cancer) cell line, while for LoVo and L929 cell lines (human colorectal cancer and reference mouse fibroblasts), it was slightly weaker. These results should be analysed further as a promising chemoprevention of colorectal and gastrointestinal cancers. Saponin and polyphenolic extracts exhibited similar activities against HSV-1 and HAdV-5, with 4-log reduction in virus titres. This study focuses our attention on a field of potential antiviral formulations derived from European holly.

P‑Phenylenediamine antioxidants in PM2.5: New markers for traffic in positive matrix factorization source apportionment

The extensive utilization of rubber-related products can lead to a substantial release of p-phenylenediamine (PPD) antioxidants into the environment. In recent years, studies mainly focus on the pollution characteristics and health risks of PM2.5-bound PPDs. This study presents long-time scale data of PPDs and N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine quinone (6PPD-Q) in PM2.5 and proposes the innovative use of PPDs as new markers for vehicular emissions in the Positive Matrix Factorization (PMF) source apportionment. The results indicate that PPDs and 6PPD-Q were detectable in 100 % of the winter PM2.5 samples, and the concentration ranges of PPDs and 6PPD-Q are 15.6–2.92 × 103 pg·m−3 and 3.90–27.4 pg·m−3, respectively, in which 6PPD and DNPD are the main compounds. Moreover, a competitive formation mechanism between sulfate, nitrate, ammonium (SNA) and 6PPD-Q was observed. The source apportionment results show that the incorporation of PPDs in PMF reduced the contribution of traffic source to PM2.5 from 13.5 % to 9.5 %. In the traffic source factor profiles, the load of IPPD, CPPD, DPPD, DNPD and 6PPD reaches 91.8 %, 91.6 %, 92.9 %, 80.6 % and 87.2 %, respectively. It`s amazing that traditional markers of traffic source, which often overlap with coal burning and industrial sources, over-estimated the contribution of vehicles by one third or more. The discovery of PPDs as specific markers for vehicular emissions holds significant utility, particularly considering the growing proportion of new energy vehicles in the future. The results may prove more accurate policy implications for pollution control. SynopsisPPDs are excellent indicators of vehicle emissions, and PMF without PPDs over-estimated the contribution of traffic source to PM2.5.

Polygala tenuifolia willd. Extract alleviates LPS-induced acute lung injury in rats via TLR4/NF-κB pathway and NLRP3 inflammasome suppression

BackgroundAcute lung injury (ALI) has received considerable attention in the field of critical care as it can lead to high mortality rates. Polygala tenuifolia, a traditional Chinese medicine with strong expectorant properties, can be used to treat pneumonia. Owing to the complexity of its composition, the main active ingredient is not yet known. Thus, there is a need to identify its constituent compounds and mechanism of action in the treatment of ALI using advanced technological means. PurposeWe investigated the anti-inflammatory mechanism and constituent compounds with regard to the effect of P. tenuifolia Willd. extract (EPT) in lipopolysaccharide (LPS)-induced ALI in vivo and in vitro. MethodsThe UHPLC-Q-Exactive Orbitrap MS technology was used to investigate the chemical profile of EPT. Network pharmacology was used to predict the targets and pathways of action of EPT in ALI, and molecular docking was used to validate the binding of polygalacic acid to Toll-like receptor (TLR) 4. The main compounds were determined using LC-MS. A rat model of LPS-induced ALI was established, and THP-1 cells were stimulated with LPS and adenosine triphosphate (ATP) to construct an in vitro model. Pathological changes were observed using hematoxylin and eosin staining, Wright-Giemsa staining, and immunohistochemistry. The expression of inflammatory factors (NE, MPO, Ly-6 G, TNF-α, IL-1β, IL-6, and iNOS) was determined using enzyme-linked immunosorbent assay, real-time fluorescence quantitative polymerase chain reaction, and western blotting. The LPS + ATP-induced inflammation model in THP-1 cells was used to verify the in vivo experimental results. ResultsNinety-nine compounds were identified or tentatively deduced from EPT. Using network pharmacology, we found that TLR4/NF-κB may be a relevant pathway for the prevention and treatment of ALI by EPT. Polygalacic acid in EPT may be a potential active ingredient. EPT could alleviate LPS-induced histopathological lung damage and reduce the wet/dry lung weight ratio in the rat model of ALI. Moreover, EPT decreased the white blood cell and neutrophil counts in the bronchoalveolar lavage fluid and decreased the expression of genes and proteins of relevant inflammatory factors (NE, MPO, Ly-6 G, TNF-α, IL-1β, IL-6, and iNOS) in lung tissues. It also increased the expression of endothelial-type nitric oxide synthase expression. Western blotting confirmed that EPT may affect TLR4/NF-κB and NLRP3 signaling pathways in vivo. Similar results were obtained in THP-1 cells. ConclusionEPT reduced the release of inflammatory factors by affecting TLR4/NF-κB and NLRP3 signaling pathways, thereby attenuating the inflammatory response of ALI. Polygalacic acid is the likely compounds responsible for these effects.

Antioxidant activities and chemical composition of rhizome essential oil from Zingiber plicatum Škorničk. & Q.B.Nguyen from Vietnam

The Zingiber genus has been widely applied in food and pharmaceuticals due to its varied chemical composition and significant benefits. Zingiber plicatum Škorničk. & Q.B. Nguyễn was described in Vietnam in 2015, yet there has been no report on its phytochemicals and bioactivity. In this study, we first analyzed the chemical composition of essential oil and its antioxidant activities. Isolation of the rhizome essential oil was performed through hydrodistillation using a Clevenger apparatus for 3.5 h, then volatile compositions were determined using gas chromatography-mass spectroscopy (GC-MS). Additionally, the antioxidant activities were assessed using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and ferric reducing power assays. The GC-MS analysis showed a total of 54 volatile components, mainly belonging to monoterpene hydrocarbons (57.69%) and sesquiterpene hydrocarbons (28.98%). The main compounds were β-pinene (26.85%), α-pinene (11.73%), limonene (10.03%), and germacrene D (5.26%). The essential oil also showed antioxidant activities, with an IC50 of 84.53 mg/mL for DPPH scavenging activity and an EC50 of 17.3 mg/mL for ferric reducing power. These findings first provided data on the chemical components and antioxidant properties of Z. plicatum essential oil.

Dose-response study on the transfer of pyrrolizidine alkaloids from a tansy ragwort extract (Jacobaea vulgaris Gaertn.) to bovine milk

Ragworts like tansy ragwort (J. vulgaris Gaertn., syn. Senecio jacobaea L.) contain hepatotoxic and cancerogenic pyrrolizidine alkaloids (PA) and their corresponding pyrrolizidine alkaloid N-oxides (PANO). Due to increasing spread of ragworts (Jacobaea spp.) PA/PANO may pose a health risk to animals and humans consuming contaminated feed and food. Therefore, the aim of the present study was to investigate the transfer of individual PA/PANO originating from a well-defined PA/PANO extract into the milk of dairy cows. For this objective, 16 German Holstein cows were assigned to four treatment groups (n = 4) in a 28-day dose-response study. Administration into the reticulorumen was performed daily by gavage after the morning milking. Three groups received different amounts of the J. vulgaris extract resulting in a PA/PANO exposure of 0.47, 0.95, or 1.91 mg PA/PANO/kg body weight/day, respectively. Furthermore, a control group received molasses to account for the sugar content of the used PA/PANO extract. While the composition of the PA/PANO extract was more diverse, the PA/PANO pattern in milk was dominated by the PA in their free base form. It was shown that mainly PA considered stable in the rumen environment were transferred into the milk. The main compounds in milk were jacoline (74.3 ± 2.4% of the PA/PANO sum), jaconine (11.2 ± 1.3%), and jacobine (7.2 ± 0.6%) with concentrations up to 29.7, 4.65 µg/l, or in the highest exposed group, 3.44 µg/l. There was no dose-dependent effect on the total PA/PANO transfer rate into the milk. The average transfer rate was 0.064 ± 0.005% of the administered content.