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A comprehensive study on chemical characterization of essential oil (EO) constituents of a rarely explored plant species (Matricaria aurea) of the Asteraceae family grown in Saudi Arabia and Jordan was carried out. Analyses were conducted employing gas chromatographic approaches such as GC-MS, GC-FID, and Co-GC, as well as RT, LRI determination, and database and literature comparisons, on two diverse stationary phase columns, which led to the identification of a total of 135 constituents from both EOs. Oxygenated sesquiterpenes were found to be the most predominant chemical class of Saudi M. aurea EOs, in which α-bisabolol (27.8%), γ-gurjunenepoxide (21.7%), (E, E)-α-farnesene (16.3%), and cis-spiroether (7.5%) were present as major components. In contrast, the most dominant chemical class of Jordanian M. aurea oil was found to be sesquiterpene hydrocarbons, where (E, E)-α-farnesene (50.2%), γ-gurjunenepoxide (8.5%), (E)-β-farnesene (8.1%), and (Z, E)-α-farnesene (4.4%) were detected as chief constituents. It is interesting to mention here that Saudi and Jordanian M. aurea EOs showed quite interesting chemical compositions and were found to have different chemotypes when compared to previously reported M. aurea EO compositions. [ABSTRACT FROM AUTHOR]

It is becoming increasingly challenging to maintain crop yields and quality as the global climate changes. The aim of this study was to determine whether and how the profile of health-promoting and taste-related compounds of radishes changes within a growing season. A total of 16 radish (Raphanus sativus L.) genotypes that are commercially available on the Czech market were assessed by means of chemical analysis. Radishes were cultivated in three independent growing cycles under controlled conditions, and the effects of the genotype and growing cycle, as well as their interactions, on the chemical traits were evaluated. Most of the variability in chemical composition was associated with the growing cycle, which accounted for 51.53% of total variance, followed by the genotype (26% of total variance). The interaction between the growing cycle and genotype explained 22.47% of total variance. The growing cycle had the strongest effect on amino acid profiles. More specifically, the amino acids that are known to contribute to overall taste (glycine, along with glutamic and aspartic acids) showed the highest degree of variation, while the amino acids related to glucosinolate biosynthesis (methionine, isoleucine, tryptophan, and phenylalanine) showed relatively low variability. On the other hand, indole glucosinolates were found to differ the most between genotypes. [ABSTRACT FROM AUTHOR]

ABSTRACTThe endophytic fungal community associated with leaves of Ficus carica L. (Moraceae) from Argentina was investigated. Fifteen fungal isolates were isolated and identified by molecular methods into the genera Alternaria, Cladosporium, Curvularia, Diaporthe, Epicoccum, Myrothecium, Neofusicoccum, Nigrospora, Preussia and Ustilago. Cladosporium cladosporioides and Curvularia lunata were the most frequently isolated species. The fungal metabolic profiles were obtained by automated TLC and NMR and analysed by PC Analysis. Antifungal and antibacterial activity was assessed by bioautographic assays. In addition, the biotransforming ability of the fungal isolates was tested on F. carica extracts. Five isolates (33.3%) exhibited inhibitory activity against at least one of the microorganisms tested. Most of the fungal endophytes were able to metabolise the flavonoid rutin 1, and the coumarin psoralen 3 present in F. carica extracts. Further investigations of the psoralen biotransforming ability performed by the selected endophyte Alternaria alternata F8 showed the accumulation of the 6,7-furan-hydrocoumaric acid derivative 4 as the main biotransformation product. Our results corroborate that F. carica can live symbiotically with rich and diverse endophytic communities adding insights about their ecological interactions.

Context Due to the interesting potential of essential oils (EO) against cholinesterases and their close relation in Alzheimer’s disease, the EO of Lepechinia betonicifolia (Lam) Epling (Lamiaceae), a native shrub from Ecuador, was assessed. Chemical profiling and enantiomeric distribution were also recorded for the first time. Objective To analyse the chemical profile including the enantiomeric composition and anticholinesterase effect exerted by EO of L. betonicifolia. Materials and methods The EO of L. betonicifolia fresh aerial parts was obtained by hydrodistillation in a Clevenger-type apparatus. Physical properties were determined according to standard norms. The chemical composition was determined by GC-MS and GC-FID. Enantioselective GC-MS analysis was carried out by using a capillary chiral column. Anticholinesterase effect was assessed by Ellman’s method with acetylthiocoline as substrate and Ellman’s reagent (DTNB) to detect its hydrolysis at 405 nm for 60 min. Donepezil was used as a reference drug. EO was dissolved in methanol to reach 10 mg/mL concentration and two more 10× dilutions were included. Results Thirty-nine constituents were identified corresponding to 97.55% of the total oil composition. The main components were β-pinene (30.45%), sabinene (27.98%), α-pinene (4.97%), β-phellandrene (4.79%), E-caryophyllene (4.44%) and limonene (3.84%). L. betonicifolia EO exerted a strong inhibitory effect over the AChE enzyme with an IC50 value of 74.97 ± 1.17 μg/mL. Discussion and conclusions Current chemical characterisation and anticholinesterase effect of EO of L. betonicifolia encourage us to propose this EO as a candidate for the preparation of functional foods or as adjuvant therapy for Alzheimer’s disease.

In the last decade there is a growing interest in application of green and more friendly environment solvents in both industrial and academia sectors due to various environmental concerns. Vegetable oils has been used as effective natural non-toxic and environment-friendly solvents for extraction of various classes of phytochemical constituents from different herbs. In the present study, various edible vegetable oils like palm oil, rice bran oil, sesame oil and sunflower oil were used for preparation of oleoextract of a medicinal plant Glycyrrhiza glabra, commonly known as Licorice. The resulting extracts were analyzed by HPTLC. Determination of Total Phenolic Contents (TPC) and Total Flavonoid Contents (TFC) was carried out by UV-Vis spectrophotometry method for standardization of the oleo-extracts of the herb. The HPTLC fingerprint showed presence of licorice components and phenolics and flavonoids in various oleo-extracts of the herb. So the oils exhibited satisfactory solvent effects with capability of extracting various phytochemicals from licorice and can be a used as a greener, safer and alternative approach to petrochemical solvents for herbal drug extraction and enrichment of phytoconstituents. [ABSTRACT FROM AUTHOR]

Bee pollen, known as a 'life-giving dust', is a product of honeybees using flower pollen grains and combining them with their saliva secretions. Thus, flower pollen could be an indicator of the bee pollen botanical source. Identification of bee pollen sources is a highly crucial process for the evaluation of its health benefits, as chemical composition is directly related to its pharmacological activity. In this study, the chemical profiles, contents of phenolic marker compounds and pharmacological activities of Hedera helix L. (ivy) bee pollen samples from Türkiye and Slovenia, as well as ivy flower pollen grains, were compared. High-performance thin-layer chromatography (HPTLC) analyses revealed that pollen samples, regardless of where they were collected, have similar chemical profiles due to the fact that they have the same botanical origins. Marker compounds afzelin, platanoside and quercetin-3-O-β-glucopyranosyl-(1→2)-β-galactopyranoside, common to both bee pollen and flower pollen, were isolated from bee pollen, and their structures were elucidated by nuclear magnetic resonance (NMR) and mass spectrometry (MS). These three compounds, as well as chlorogenic acid and 3,5-dicaffeoylquinic acid (found in flower pollen), were quantified using high-performance liquid chromatography (HPLC) analyses. In vitro tests and effect-directed analyses were used to evaluate the xanthine oxidase inhibition and antioxidant activity of the marker compounds and extracts from flower pollen and bee pollen. This is the first report comparing chemical profiles and related bioactivities of the flower pollen and bee pollen of the same botanical origin, as well as the first report of the chemical profile and related bioactivities of ivy flower pollen. [ABSTRACT FROM AUTHOR]

Background: Plants from the Asteraceae family were commonly used to treat various diseases. The metabolomic profile of this family consisted of bioactive flavonoids and other phenolics. Chamomile is a member of the Asteraceae family. Jordanian and European chamomile are two varieties of Matricaria chamomilla (German chamomile), which were grown under different environmental conditions, were studied. Many examples of plant varieties with significant distinction in the secondary metabolite they afford have been described in the literature. Multivariate statistical analysis was employed to measure the depth of this variation in two chamomile varieties. Methods: From both types, crude extracts were prepared using solvents of different polarities and tested for their biological activity. The semipolar fraction of the European variety showed anticancer and antioxidant activity. Meanwhile, the semipolar fraction of the Jordanian type exhibited only antioxidant activity. Both extracts were fractionated, and then the biological activity was again assayed. Results: European and Jordanian chamomile fractions produced dicaffeoylquinic acid isomers exhibiting antioxidant capability. Additionally, Z-glucoferulic acid was produced from the European chamomile, demonstrating antioxidant activity. The European samples afforded two major compounds, chrysosplenetin and apigenin, that displayed anticancer activity. Conclusions: Different environmental conditions between Jordanian and European chamomile affected the type of isolated compounds. Structure elucidation was performed with HPLC-MS coupled with dereplication techniques and 2D NMR experiments. [ABSTRACT FROM AUTHOR]

The endophytic fungal community associated with leaves of Ficus carica L. (Moraceae) from Argentina was investigated. Fifteen fungal isolates were isolated and identified by molecular methods into the genera Alternaria, Cladosporium, Curvularia, Diaporthe, Epicoccum, Myrothecium, Neofusicoccum, Nigrospora, Preussia and Ustilago. Cladosporium cladosporioides and Curvularia lunata were the most frequently isolated species. The fungal metabolic profiles were obtained by automated TLC and NMR and analysed by PC Analysis. Antifungal and antibacterial activity was assessed by bioautographic assays. In addition, the biotransforming ability of the fungal isolates was tested on F. carica extracts. Five isolates (33.3%) exhibited inhibitory activity against at least one of the microorganisms tested. Most of the fungal endophytes were able to metabolise the flavonoid rutin 1, and the coumarin psoralen 3 present in F. carica extracts. Further investigations of the psoralen biotransforming ability performed by the selected endophyte Alternaria alternata F8 showed the accumulation of the 6,7-furan-hydrocoumaric acid derivative 4 as the main biotransformation product. Our results corroborate that F. carica can live symbiotically with rich and diverse endophytic communities adding insights about their ecological interactions. [ABSTRACT FROM AUTHOR]

Honey is a widely consumed natural product, and its entomological origin can significantly influence its market value. Therefore, traceability of the entomological origin of honey should also be considered in honey quality control protocols. Although several methods exist, such as physicochemical characterization and bioactivity profiling of honey of different entomological origins, the most promising three methods for entomological authentication of honey include protein-based identification, chemical profiling, and a DNA-based method. All of these methods can be applied for reliable identification of the entomological origin of honey. However, as the honey is a complex matrix, the inconsistency of the results obtained by these methods is a pragmatic challenge, and therefore, the use of each method in all the cases is questionable. Most of these methodologies can be used for authentication of newly harvested honey and it is worth understanding the possibility of using these methods for authentication of relatively old samples. Most probably, using DNA-based methods targeting small fragments of DNA can provide the best result in old samples, however, the species-specific primers targeting short fragments are limited and not available for all species. Therefore, using universal primers in combination with a DNA metabarcoding approach can be a good solution that requires further investigation. This present article describes the applications of different methods, their pros, and their cons to identify honey based on entomological origin. [ABSTRACT FROM AUTHOR]

Coffee silverskin (CS) is the thin epidermis covering and protecting the coffee bean and it represents the main by-product of the coffee roasting process. CS has recently gained attention due to its high content in bioactive molecules and the growing interest in valuable reutilization of waste products. Drawing inspiration from its biological function, here its potential in cosmetic applications was investigated. CS was recovered from one of the largest coffee roasters located in Switzerland and processed through supercritical CO2 extraction, thereby generating coffee silverskin extract. Chemical profiling of this extract revealed the presence of potent molecules, among which cafestol and kahweol fatty acid esters, as well as acylglycerols, β-sitosterol and caffeine. The CS extract was then dissolved in organic shea butter, yielding the cosmetic active ingredient SLVR'Coffee™. In vitro gene expression studies performed on keratinocytes showed an upregulation of genes involved in oxidative stress responses and skin-barrier functionality upon treatment with the coffee silverskin extract. In vivo, our active protected the skin against Sodium Lauryl Sulfate (SLS)-induced irritation and accelerated its recovery. Furthermore, this active extract improved measured as well as perceived skin hydration in female volunteers, making it an innovative, bioinspired ingredient that comforts the skin and benefits the environment. [ABSTRACT FROM AUTHOR]

Qishen Gubiao granules, a traditional Chinese medicine preparation composed of nine herbs, have been widely used to prevent and treat coronavirus disease 2019 with good clinical efficacy. In the present study, an integrated strategy based on chemical profiling followed by network pharmacology and molecular docking was employed, to explore the active components and potential molecular mechanisms of Qishen Gubiao granules in the therapy of coronavirus disease 2019. Using the ultra‐high performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry technique, a total of 186 ingredients corresponding to eight structure types in Qishen Gubiao preparation were identified or structurally annotated with the elucidation of the fragmentation pathways in the typical compounds. The network pharmacology analysis screened 28 key compounds including quercetin, apigenin, scutellarein, luteolin and naringenin acting on 31 key targets, which possibly modulated signal pathways associated with immune and inflammatory responses in the treatment of coronavirus disease 2019. The molecular docking results observed that the top 5 core compounds had a high affinity for angiotensin‐converting enzyme 2 and 3‐chymotrypsin‐like protease. This study proposed a reliable and feasible approach for elucidating the multi‐components, multi‐targets, and multi‐pathways intervention mechanism of Qishen Gubiao granules against coronavirus disease 2019, providing a scientific basis for its further quality evaluation and clinical application. [ABSTRACT FROM AUTHOR]

Trace odour is one of the trace material evidence that has significant value in forensic analysis. The recovery of relevant trace odour components from clothing has the potential to be a form of trace evidence that can be used to assess the likelihood of a contact between individuals in sexual and violent cases. They have the same potential as other trace evidence and can narrow down the suspect in the investigation. Studies conducted previously related to trace odour have succeeded in proving that this trace odour is unique, has its signature profile and can distinguish it from other sources such as fingerprints and DNA. This review highlights these trace odours and their persistence after being transferred, which contribute to a complete picture of the dynamics and potential application in the forensic reconstruction process. The literature was sourced from electronic databases such as Scopus, PubMed, Springer Link, Wiley On?line Library and Science Direct. Keywords such "odour", "trace odour", "scent", "volatile organic compound", "forensic identification" were utilised. Further studies on various forms of trace odour are needed to strengthen their evidential values and be admissible to the court. [ABSTRACT FROM AUTHOR]

• Sixteen CPT intermediates from nothapodytes nimmoniana were identified and confirmed. • Isomers of CPT post-strictosidine intermediates were relatively quantified in root, bark, fruit and leaf. • Roots accumulated most of the CPT intermediates. • Both carboxylic acid and methyl ester forms of CPT intermediates are present in N. nimmoniana. Nothapodytes nimmoniana is a medicinally important plant producing camptothecin (CPT) which is a well-known anti-cancer drug. Its analogues viz. topotecan and irinotecan are currently used to treat variety of cancers like lung, colon, ovarian cancers. The CPT is a monoterpene indole alkaloid class of compound and synthesised by the combination of terpene and indole pathway. Secologanin from terpene pathway and tryptamine from indole pathway condense together to form strictosidine which is a precursor of CPT. In this study, four different tissues viz. root, leaf, bark and fruit of N. nimmoniana were subjected to LC-QTOF-MS analysis. Total sixteen intermediate compounds in the CPT biosynthetic pathway with their relative accumulation were detected and confirmed by tandem mass spectrometry analysis. Two or more than two isomers of post-strictosidine pathway intermediates like deoxypumiloside, pumiloside and strictosamide, strictosamide epoxide were detected in roots and bark. Accumulation pattern of intermediate metabolites in roots suggests active biosynthesis of CPT in roots. Moreover, unlike Camptotheca acuminata (another CPT producing plant), presence of both carboxylic acid derivatives and methyl esters of iridoid pathway intermediates such as loganic acid/ loganin, secologanic acid/ secologanin and strictosidinic acid/ strictosidine suggests existence of two or more interwoven pathways leading to CPT biosynthesis in N. nimmoniana. [ABSTRACT FROM AUTHOR]

Melissa officinalis L. is a medicinal plant used worldwide for ethno-medical purposes. Today, it is grown everywhere; while it is known to originate from Southern Europe, it is now found around the world, from North America to New Zealand. The biological properties of this medicinal plant are mainly related to its high content of phytochemical (bioactive) compounds, such as flavonoids, polyphenolic compounds, aldehydes, glycosides and terpenes, among many other groups of substances. Among the main biological activities associated with this plant are antimicrobial activity (against fungi and bacteria), and antispasmodic, antioxidant and insomnia properties. Today, this plant is still used by society (as a natural medicine) to alleviate many other illnesses and symptoms. Therefore, in this perspective, we provide an update on the phytochemical profiling analysis of this plant, as well as the relationships of specific biological and pharmacological effects of specific phytochemicals. Currently, among the organic solvents, ethanol reveals the highest effectiveness for the solvent extraction of precious components (mainly rosmarinic acid). Additionally, our attention is devoted to current developments in the extraction and fractionation of the phytochemicals of M. officinalis, highlighting the ongoing progress of the main strategies that the research community has employed. Finally, after analyzing the literature, we suggest potential perspectives in the field of sustainable extraction and purification of the phytochemical present in the plant. For instance, some research gaps concern the application of cavitation-assisted extraction processes, which can effectively enhance mass transfer while reducing the particle size of the extracted material in situ. Meanwhile, membrane-assisted processes could be useful in the fractionation and purification of obtained extracts. On the other hand, further studies should include the application of ionic liquids and deep eutectic solvents (DES), including DESs of natural origin (NADES) and hydrophobic DESs (hDES), as extraction or fractionating solvents, along with new possibilities for effective extraction related to DESs formed in situ, assisted by mechanical mixing (mechanochemistry-based approach). [ABSTRACT FROM AUTHOR]

Several studies have highlighted the beneficial effects of consuming red raspberries on human health thanks to their high content of phytochemicals. However, the products used in these studies, both in the raw or freeze-dried form, were not fully characterized for nutrient and phytochemical composition. In this study, we aimed to determine the nutrient and non-nutrient compounds present in a freeze-dried red raspberry powder widely used by the food industry and consumers. The main sugars identified were fructose (12%), glucose (11%), and sucrose (11%). Twelve fatty acids were detected, with linoleic acid (46%), α-linolenic acid (20%), and oleic acid (15%) being the most abundant. Regarding micronutrients, vitamin C was the main hydro-soluble vitamin, while minerals, potassium, phosphorous, copper and magnesium were the most abundant, with concentrations ranging from 9 up to 96 mg/100 g, followed by manganese, iron and zinc, detected in the range 0.1–0.9 mg/100 g. Phytochemical analysis using UHPLC-DAD-HR-MS detection revealed the presence of Sanguiin H6 (0.4%), Lambertianin C (0.05%), and Sanguiin H-10 isomers (0.9%) as the main compounds. Among anthocyanins, the most representative compounds were cyanidin-3-sophoroside, cyanidin-3-glucoside and cyanidin-3-sambubioside. Our findings can serve as a reliable resource for the food industry, nutraceutical applications and for future investigations in the context of human health.

Introduction: Sanjin tablets (SJT) are a well-known Chinese patent drug that have been used to treat urinary tract infections (UTIs) for the last 40 years. The drug consists of five herbs, but only 32 compounds have been identified, which hinders the clarification of its effective substances and mechanism.Methods: The chemical constituents of SJT and their effective substances and functional mechanism involved in the treatment of UTIs were investigated by using high performance liquid chromatography-electrospray ionization-ion trap-time of flight-mass spectrometry (HPLC-ESI-IT-TOF-MSn), network pharmacology, and molecular docking.Results: A total of 196 compounds of SJT (SJT-MS) were identified, and 44 of them were unequivocally identified by comparison with the reference compounds. Among 196 compounds, 13 were potential new compounds and 183 were known compounds. Among the 183 known compounds, 169 were newly discovered constituents of SJT, and 93 compounds were not reported in the five constituent herbs. Through the network pharmacology method, 119 targets related to UTIs of 183 known compounds were predicted, and 20 core targets were screened out. Based on the “compound–target” relationship analysis, 94 compounds were found to act on the 20 core targets and were therefore regarded as potential effective compounds. According to the literature, 27 of the 183 known compounds were found to possess antimicrobial and anti-inflammatory activities and were verified as effective substances, of which 20 were first discovered in SJT. Twelve of the 27 effective substances overlapped with the 94 potential effective compounds and were determined as key effective substances of SJT. The molecular docking results showed that the 12 key effective substances and 10 selected targets of the core targets have good affinity for each other.Discussion: These results provide a solid foundation for understanding the effective substances and mechanism of SJT.

The aim of this research was to investigate the chemical profiles of Cannabis sativa from 11 Tanzanian regions using preliminary tests as well as instrumental analyses with GC-MS and LC-MS. Generally, all the seized samples tested positive for the presence of (Δ9-THC. The preliminary test with Duquenois method followed by chloroform addition revealed the presence of Δ9-tetrahydrocannabinol (Δ9-THC) in all the samples. GC-MS analyses of the samples revealed the presence of nine cannabinoids including Δ9-THC, Δ8-THC, cannabidivarol, cannabidiol, Δ9-tetrahydrocannabivarin (Δ9-THCV), cannabichromene, cannabinol, caryophyllene, and cannabicouramaronone, whereas LC-MS chemical profiling revealed the presence 24 chemical substances, including 4 cannabinoids, 15 different types of drugs and 5 amino acids. The Pwani region had the highest percentage composition of Δ9-THC (13.45%), the main psychoactive ingredient of Cannabis sativa, followed by Arusha (10.92%) and Singida (10.08%). The sample from Kilimanjaro had the lowest percentage of Δ9-THC (6.72%). Apart from cannabinoids, the majority of other chemical substances were found in the Dar es Salaam region sample, which could be attributed to the fact that the city is the epicenter of business rather than the cultivation area, implying that the samples were obtained from different sources and blended as a single package.

Euryales Semen was a traditional Chinese medicine, which has been commonly used to treat spermatorrhea, enuresis, and frequent urination. Flavonoids were a critical ingredient in determining the function and quality of Euryales Semen. At present, no effective method has been established for the qualitative of Euryales Semen flavonoids. In this study, an ultra‐high‐performance liquid chromatography‐quadrupole‐time of flight‐mass spectrometry method was established for flavonoids. By comparison with standard or literature data, 32 flavonoid compounds have been identified in Euryales Semen. Based on the qualitative results, an ultra‐high‐performance liquid chromatography‐triple quadrupole tandem mass spectroscopy method was developed for the main components, and the linearity, the limit of detection, limit of quantification, repeatability, precision, stability, and recovery of the method were verified. The principal component analysis and the hierarchical clustering heatmaps analysis showed that the 30 batches of samples were distinctly separated into the North Gordon Euryale and South Gordon Euryale, and the measured contents of the six flavonoids in North Gordon Euryale were more abundant than in South Gordon Euryale, especially isoquercitrin, hesperetin, and quercetin. It provided a scientific basis for the quality control of Euryales Semen and a theoretical basis for the rational utilization of Euryales Semen resources. [ABSTRACT FROM AUTHOR]

Morphine and codeine are the two principal opiates found in the opium poppy (Papaver somniferum L.) and are therapeutically used for pain management. Poppy seeds with low opiates are primarily used for culinary purposes due to their nutritional and sensory attributes. Intentional adulteration of poppy seeds is common, often combined with immature, less expensive, exhausted, or substituted with morphologically similar seeds, viz., amaranth, quinoa, and sesame. For a safer food supply chain, preventive measures must be implemented to mitigate contamination or adulteration. Moreover, the simultaneous analysis of P. somniferum and its adulterants is largely unknown. Pre- and post-processing further complicate the alkaloid content and may pose a significant health hazard. To address these issues, two independent methods were investigated with eight botanically verified and fifteen commercial samples. Microscopical features were established for the authenticity of raw poppy seeds. Morphine, codeine, and thebaine quantities ranged from 0.8–223, 0.2–386, and 0.1–176 mg/kg, respectively, using LC-QToF. In most cases, conventional opiates have a higher content than papaverine and noscapine. The analytical methodology provided a chemical profile of 47 compounds that can be effectively applied to distinguish poppy seeds from their adulterants and may serve as an effective tool to combat ongoing adulteration. [ABSTRACT FROM AUTHOR]

Virtual screening of the potential lead chemotherapeutic phytochemicals from medicinal plants has useful application in the field of in-silico modelling and computer-based drug design by orienting and scoring ligands in the active binding site of a target protein. The phytochemical investigation of the Pterocephalus frutescens extract in n-butanol resulted in the isolation and structure elucidation of three iridoids and four flavonoids which were identified as Geniposide (1), Geniposidic acid (2), Nepetanudoside C (3), Isovitexin (4), Luteolin-7-O-glucoside (5) Isoorientin (6) and Orientin (7), respectively. Molecular docking studies were used to compare the binding energies of the isolated phytochemicals at four biological cancer-relevant targets; namely, aromatase, carbonic anhydrase IX, fatty acid synthase, and topoisomerase II-DNA complex. The docking study concluded that the isolated compounds have promising cytotoxic activities, in particular, Luteolin-7-O-glucoside (5) and Orientin (7) which exhibited high binding affinities among the isolated compounds at the active sites of the target enzymes; Aromatase (−8.73 Kcal/mol), and Carbonic anhydrase IX (−8.92 Kcal/mol), respectively, surpassing the corresponding binding scores of the co-crystallized ligands and the reference drugs at these target enzymes. Additionally, among the isolated compounds, Luteolin-7-O-glucoside (5) showed the most outstanding binding affinities at the active sites of the target enzymes; Fatty acid synthase, and Topisomerase II-DNA complex with binding scores of −6.82, and −7.99 Kcal/mol, respectively. Finally, the SwissADME online web tool predicted that most of these compounds possessed acceptable oral bioavailability and drug likeness characteristics. [ABSTRACT FROM AUTHOR]

Background: Trillium govanianum Wall. ex D. Don occurring at high altitudes in the Himalayas and known by the common name 'Nag Chhatri,' has high medicinal value. Its rhizome samples have substantial therapeutic potential and possess anti-cancer and anti-aging properties. Due to similar common names and morphology, there is an issue with adulteration and misidentification of actual rhizome samples with rhizomes of other species. So, there is a need to develop valid scientific methods to identify raw herbal samples of authentic 'Nagchatri' (T. govanianum). Objectives: The present study focused on developing botanical, molecular, and chemical standards for identifying raw herbal samples of T. govanianum. Materials and Methods: Samples were collected from four locations in the Northwestern Himalayas. Botanical characters were studied by stereomicroscope and compound microscope. Molecular identification was done by DNA barcoding and chemical identification by chemical fingerprinting (TLC and HPTLC), LC-MS profiling, and NMR studies. Results: The botanical characters involved detailed morpho-anatomical characterization of herbal samples. The DNA barcoding exhibited a 100% identification match of generated barcode sequences with NCBI database sequences for all the selected markers. Chemical profiling revealed diosgenin, makisterone A, and 20-hydroxy ecdysone as major constituents in the rhizome sample, confirming the authenticity of the species. Conclusion: The integrated authentication approach employing botanical standardization, DNA barcoding, and chemical profiling will be a promising tool for accurately identifying the genuine raw herbal material of T. govanianum. [ABSTRACT FROM AUTHOR]

Developing analytical methods for the chemical components of natural medicines remains a challenge due to its diversity and complexity. Miao-Fu-Zhi-Tong (MFZT) granules, an ethnic Yi herbal prescription, comprises 10 herbs and has been clinically applied for gouty arthritis (GA) therapy. Herein, a series of chemical profiling strategies including in-house library matching, molecular networking and MS/MS fragmentation behavior validation based on ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) were developed for qualitative analysis of MFZT granules. A total of 207 compounds were identified or characterized in which several rare guanidines were discovered and profiled into alkyl substituted or cyclic subtypes. Moreover, network pharmacology analysis indicated that MFZT's anti-gout mechanism was mostly associated with the nuclear factor kappa-B (NF- κ B) signaling, nucleotide oligomerization domain (NOD)-like signaling and rheumatoid arthritis pathways, along with the synergistic effect of 84 potential active compounds. In addition, a quantitative analytical method was developed to simultaneously determine the 29 potential effective components. Among them, berberine, pellodendrine, 3-feruloylquinic acid, neoastilbin, isoacteoside and chlorogenic acid derivatives at higher concentrations were considered as the chemical markers for quality control. These findings provide a holistic chemical basis for MFZT granules and will support the development of effective analytical methods for the herbal formulas of natural medicines. [ABSTRACT FROM AUTHOR]

Berries of blackcurrant (Ribes nigrum L.) are popular for their strong and complex aroma and their benefits for health. In Burgundy (France), the most famous blackcurrant cultivar is the "Noir de Bourgogne". A blackcurrant breeding program was conducted to obtain new varieties, more resistant to infections and climate changes. The cultivar "Noir de Bourgogne" was crossed with seven other varieties in order to create a hybrid with good agronomic properties and organoleptic properties close to the ones of "Noir de Bourgogne". Several hybrids were created, and their aromatic profiles studied. Berries of eight cultivars, among which Noir de Bourgogne and hybrids resulting from crossings, were harvested during the summer of 2020. Volatile compounds of berries were analyzed by HS-SPME-GC-MS, and principal component analysis (PCA) was used as the most useful chemometric technique. The profiles in volatile compounds of hybrids were either different from those of the two parental varieties or close to that of varieties other than Bourgogne black. In all cases, the overall aroma strength of the hybrid did not equal that of the Noir de Bourgogne cultivar. [ABSTRACT FROM AUTHOR]

The chemical composition and aroma profile of industrial essential oils (EOs) from species of rose grown in China, including the native Kushui rose (R. sertata × R. rugosa) and R. rugosa Thunb. cv. Plena, and the recently introduced Damask rose (R. damascena Mill.), were studied in comparison by means of GC/MS and GC-FID. More than 150 individual compounds were detected in Chinese rose samples, of which 112 were identified and their quantitative content determined, representing 88.7%, 96.7% and 97.9% of the total EO content, respectively. It was found that the main constituents of the Chinese rose EOs were representatives of terpenoid compounds (mono- and sesquiterpenoids, predominantly) and aliphatic hydrocarbons. Comparative chemical profiling revealed different chemical composition and aroma profiles: while the R. damascena oil showed a balance between the eleoptene and stearoptene fractions of the oil (the average ratio between the main terpene alcohols and paraffins was 2.65), in the Kushui and R. rugosa oils, the odorous liquid phase strongly dominated over the stearopten, with a ratio of 16.91 and 41.43, respectively. The most abundant terpene was citronellol, ranging from 36.69% in R. damascena to 48.32% in R. rugosa oil. In addition, the citronellol enantiomers distribution, which is an important marker for rose oil authenticity, was studied for the first time in R. rugosa oil. [ABSTRACT FROM AUTHOR]

Seeds and fruits of Citrullus colocynthis have been reported to possess huge potential for the development of phytopharmaceuticals with a wide range of biological activities. Thus, in the current study, we are reporting the potential antimicrobial and anticancer properties of C. colocynthis seeds extracted with solvents of different polarities, including methanol (M.E.), hexane (H.E.), and chloroform (C.E.). Antimicrobial properties of C. colocynthis seeds extracts were evaluated on Gram-positive and Gram-negative bacteria, whereas, anticancer properties were tested on four different cell lines, including HepG2, DU145, Hela, and A549. All the extracts have demonstrated noteworthy antimicrobial activities with a minimum inhibitory concentration (MIC) ranging from 0.9–62.5 µg/mL against Klebsiella planticola and Staphylococcus aureus; meanwhile, they were found to be moderately active (MIC 62.5–250 µg/mL) against Escherichia coli and Micrococcus luteus strains. Hexane extracts have demonstrated the highest antimicrobial activity against K. planticola with an MIC value of 0.9 µg/mL, equivalent to that of the standard drug ciprofloxacin used as positive control in this study. For anticancer activity, all the extracts of C. colocynthis seeds were found to be active against all the tested cell lines (IC50 48.49–197.96 µg/mL) except for the chloroform extracts, which were found to be inactive against the HepG2 cell line. The hexane extract was found to possess the most prominent anticancer activity when compared to other extracts and has demonstrated the highest anticancer activity against the DU145 cell line with an IC50 value of 48.49 µg/mL. Furthermore, a detailed phytoconstituents analysis of all the extracts of C. colocynthis seeds were performed using GC–MS and GC–FID techniques. Altogether, 43 phytoconstituents were identified from the extracts of C. colocynthis seeds, among which 21, 12, and 16 components were identified from the H.E., C.E., and M.E. extracts, respectively. Monoterpenes (40.4%) and oxygenated monoterpenes (41.1%) were the most dominating chemical class of compounds from the hexane and chloroform extracts, respectively; whereas, in the methanolic extract, oxygenated aliphatic hydrocarbons (77.2%) were found to be the most dominating chemical class of compounds. To the best of our knowledge, all the phytoconstituents identified in this study are being reported for the first time from the C. colocynthis. [ABSTRACT FROM AUTHOR]

In this study, a beetroot peel flour was made, and its in vitro antioxidant activity was determined in aqueous (BPFw) and ethanolic (BPFe) extracts. The influence of BPFw on breast cancer cell viability was also determined. A targeted betalain profile was obtained using high-resolution Q-Extractive Plus Orbitrap mass spectrometry (Obrtitrap-HRMS) alongside untargeted chemical profiling of BPFw using Ultra-High-Performance Liquid Chromatography with High-Resolution Mass Spectrometry (UHPLC-HRMS). BPFw and BPFe presented satisfactory antioxidant activities, with emphasis on the total phenolic compounds and ORAC results for BPFw (301.64 ± 0.20 mg GAE/100 g and 3032.78 ± 55.00 µmol T/100 g, respectively). The MCF-7 and MDA-MB-231 breast cancer cells presented reductions in viability when treated with BPFw, showing dose-dependent behavior, with MDA-MB-231 also showing time-dependent behavior. The chemical profiling of BPFw led to the identification of 9 betalains and 59 other compounds distributed amongst 28 chemical classes, with flavonoids and their derivates and coumarins being the most abundant. Three forms of betalain generated via thermal degradation were identified. However, regardless of thermal processing, the BPF still presented satisfactory antioxidant and anticancer activities, possibly due to synergism with other identified molecules with reported anticancer activities via different metabolic pathways. [ABSTRACT FROM AUTHOR]

This study presents a comprehensive investigation into the potential anticancer properties and chemical constituents of an unexplored plant (Grewia velutina) extracts. Three distinct extracts of hexane (GVH), chloroform (GVC) and methanol(GVM) of the plant were used to check their anticancer activity against four prominent cancer cell lines (HepG2, DU145, Hela, A549), and the results were compared with the standard chemotherapeutic agent doxorubicin. Anticancer assays revealed that the GVC extract exhibited highest activity than others, with IC50 values of 61.06 µg/mL, 47.87 µg/mL, 88.76 µg/mL, and 87.99 µg/mL against HepG2, DU145, Hela, and A549 cell lines, respectively and reflected a comparable activity to doxorubicin, highlighting its potential as an effective anticancer agent. With the help of chemical profiling data, molecular docking studies were performed and this study suggested that ionol, present in GVC extract is the most active compound against all the cancerous cells. [ABSTRACT FROM AUTHOR]

Hemp (Cannabis sativa L.) is a plant widely used by humans for textiles, food, and medicine. Thus, this study aimed to characterize the chemical profiling of 12 hemp seed extracts from Thai (HS-TH) and foreign (HS-FS) samples using gas chromatography-mass spectrometry (GC–MS). Their antibacterial activity and α-glucosidase inhibitory activity were assayed. Linoleic acid (17.63–86.53%) was a major component presented in Thai hemp seed extracts, while α,β-gluco-octonic acid lactone (30.39%), clionasterol (13.42–29.07%), and glyceryl-linoleate (15.12%) were detected as the main metabolites found in foreign hemp seed extracts. Furthermore, eight extracts from both Thai and foreign hemp seed exhibited antibacterial activity against Staphylococcus aureus, Staphylococcus epidermidis, Methicillin-resistant Staphylococcus aureus, and Cutibacterium acnes, with MIC values ranging from 128 to 2048 µg/mL. Interestingly, the ethanol extract of Thai hemp seed (HS-TH-2-M-E) showed superior α-glucosidase inhibition (IC50 value of 33.27 ug/mL) over foreign species. The combination between Thai hemp species (HS-TH-2-M-E) and acarbose showed a synergistic effect against α-glucosidase. Furthermore, the docking investigation revealed that fatty acids had a greater impact on α-glucosidase than fatty acid esters and cannabinoids. The computational simulation predicts a potential allosteric binding pocket of guanosine on glucosidase and is the first description of gluco-octonic acid’s anti-glucosidase activity in silico. The findings concluded that Thai hemp seed could be used as a resource for supplemental drugs or dietary therapy for diabetes mellitus.

Honeybee products, as multicomponent substances, have been a focus of great interest. The present work aimed to perform the nutritional and chemical profiling and biochemical characterization of bee pollen (BP), bee bread (BB), and royal jelly (RJ) and study their applications in the fortification of functional fermented dairy products. Their effects on starter cultures and the physicochemical and sensorial quality of products were monitored. A molecular networking analysis identified a total of 46 compounds in the three bee products that could be potential medicines, including flavonoids, fatty acids, and peptides. BB showed the highest protein and sugar contents (22.57 and 26.78 g/100 g), which cover 45.14 and 53.56% of their daily values (DVs), with considerable amounts of the essential amino acids threonine and lysine (59.50 and 42.03%). BP, BB, and RJ can be considered sources of iron, as 100 g can cover 141, 198.5, and 94.94% of DV%, respectively. BP was revealed to have the highest phenolic and flavonoid contents (105.68 and 43.91 µg/g) and showed a synergetic effect when mixed with RJ, resulting in increased antioxidant activity, while BB showed a synergetic effect when mixed with RJ in terms of both antioxidant and proteolytic powers (IC50 7.54, 11.55, 12.15, 12.50, and 12.65 cP compared to the control (10.55 cP)), reflecting their organoleptic properties and highlighting these health-oriented products as promising natural products for human health care. [ABSTRACT FROM AUTHOR]

This study aimed to establish the phytochemical profile of Glochidion velutinum and its cytotoxic activity against prostate cancer (PC-3) and breast cancer (MCF-7) cell lines. The phytochemical composition of G. velutinum leaf extract and its fractions was established with the help of total phenolic and flavonoid contents and LC-MS/MS-based metabolomics analysis. The crude methanolic extract and its fractions were studied for pharmacological activity against PC-3 and MCF-7 cell lines using the MTT assay. The total phenolic content of the crude extract and its fractions ranged from 44 to 859 µg GAE/mg of sample whereas total flavonoid contents ranged from 20 to 315 µg QE/mg of sample. A total of forty-eight compounds were tentatively dereplicated in the extract and its fractions. These phytochemicals included benzoic acid derivatives, flavans, flavones, O-methylated flavonoids, flavonoid O- and C-glycosides, pyranocoumarins, hydrolysable tannins, carbohydrate conjugates, fatty acids, coumarin glycosides, monoterpenoids, diterpenoids, and terpene glycosides. The crude extract (IC50 = 89 µg/mL), the chloroform fraction (IC50 = 27 µg/mL), and the water fraction (IC50 = 36 µg/mL) were found to be active against the PC-3 cell line. However, the crude extract (IC50 = 431 µg/mL), the chloroform fraction (IC50 = 222 µg/mL), and the ethyl acetate fraction (IC50 = 226 µg/mL) have shown prominent activity against breast cancer cells. Moreover, G. velutinum extract and its fractions presented negligible toxicity to normal macrophages at the maximum tested dose (600 µg/mL). Among the compounds identified through LC-MS/MS-based metabolomics analysis, epigallocatechin gallate, ellagic acid, isovitexin, and rutin were reported to have anticancer activity against both prostate and breast cancer cell lines and might be responsible for the cytotoxic activities of G. velutinum extract and its bioactive fractions. [ABSTRACT FROM AUTHOR]

Context: Due to the interesting potential of essential oils (EO) against cholinesterases and their close relation in Alzheimer's disease, the EO of Lepechinia betonicifolia (Lam) Epling (Lamiaceae), a native shrub from Ecuador, was assessed. Chemical profiling and enantiomeric distribution were also recorded for the first time. Objective: To analyse the chemical profile including the enantiomeric composition and anticholinesterase effect exerted by EO of L. betonicifolia. Materials and methods: The EO of L. betonicifolia fresh aerial parts was obtained by hydrodistillation in a Clevenger-type apparatus. Physical properties were determined according to standard norms. The chemical composition was determined by GC-MS and GC-FID. Enantioselective GC-MS analysis was carried out by using a capillary chiral column. Anticholinesterase effect was assessed by Ellman's method with acetylthiocoline as substrate and Ellman's reagent (DTNB) to detect its hydrolysis at 405nm for 60 min. Donepezil was used as a reference drug. EO was dissolved in methanol to reach 10 mg/mL concentration and two more 10° dilutions were included. Results: Thirty-nine constituents were identified corresponding to 97.55% of the total oil composition. The main components were b-pinene (30.45%), sabinene (27.98%), a-pinene (4.97%), b-phellandrene (4.79%), E-caryophyllene (4.44%) and limonene (3.84%). L. betonicifolia EO exerted a strong inhibitory effect over the AChE enzyme with an IC50 value of 74.97 ± 1.17 lg/mL. Discussion and conclusions: Current chemical characterisation and anticholinesterase effect of EO of L. betonicifolia encourage us to propose this EO as a candidate for the preparation of functional foods or as adjuvant therapy for Alzheimer's disease. [ABSTRACT FROM AUTHOR]

Lavender (L. angustifolia Mill.) is an important essential oil-bearing and medicinal plant with high commercial value. Lavender scent components can be derived not only as an essential oil but also as lavender concrete or absolute. The development of reliable analytical methods for origin assessment and quality assurance is of significant fundamental importance and high practical interest. Therefore, a comprehensive chemical profiling of seven industrial samples of Bulgarian lavender absolute (L. angustifolia Mill.) was performed by means of gas chromatography–mass spectrometry (GC/MS) and gas chromatography with flame ionization detection (GC-FID). As a result, 111 individual compounds were identified by GC/MS, and their quantitative content was simultaneously determined by GC-FID, representing 94.28–97.43% of the total contents of the lavender absolute. According to our results, the main constituents of lavender absolute (LA) are representatives of the terpene compounds (with the dominating presence of oxygenated monoterpenes, 52.83–80.55%), followed by sesquiterpenes (7.80–15.21%) and triterpenoids (as minor components). Coumarins in various amounts (1.79–14.73%) and aliphatic compounds (hydrocarbons, ketones, esters, etc.) are found, as well. The acyclic monoterpene linalool is the main terpene alcohol and, together with its ester linalyl acetate, are the two main constituents in the LAs. Linalool was found in concentrations of 27.33–38.24% in the LA1-LA6 samples and 20.74% in the LA7 samples. The amount of linalyl acetate was in the range of 26.58 to 37.39% in the LA1–LA6 samples, while, surprisingly, it was not observed in LA7. This study shows that the chemical profile of the studied LAs is close to the lavender essential oil (LO), fulfilling most of the requirements of the International Standard ISO 3515:2002. [ABSTRACT FROM AUTHOR]

Dactylorhiza hatagirea (D.Don) Soo (Vern. Salam Panja) is a highly valued terrestrial dietary orchid from Himalaya, whose tubers are traded for possessing medicinal uses to human health benefits. The current research was focused on chemical exploration, along with evaluation of the nutritional and antioxidant potential, of its tuber extracts, which were procured from traders as well as from its natural habitats. Total phenolics, flavonoids, sugars, amino acids, macro- and micro- elements were estimated in the tuber extracts. It was found that phenolics and flavonoids (73.61 ± 0.92 and 48.59 ± 0.71 mg/g) were higher in methanolic extracts of marketed sample (DH 2) than DH 1 , the methanolic extract of sample collected from natural habitat. The free amino acids and sugars were also found promisingly. The extracts showed antioxidant potentials with IC 50 ranges from 1.58 to 4.41 and from 0.19 to 0.48, mg/mL in DPPH and ABTS assays, respectively. Further, UPLC-DAD analysis revealed the presence of vanillic acid in all samples (ranging from 0.21 to 0.58 mg/g). Further, dactylorhin A (0.12–0.81 mg/g) and B (0.62–0.88 mg/g) were also determined in all the samples except water extract (DH 5). Further, UHPLC-QTOF-IMS analysis enabled the identification of 152 diversified metabolites such as sugars, terpenoids, steroids, amino acids, polyphenols, nucleosides, saponins, organic and fatty acids. The heavy metals (Cd, Hg, Pd, As) were absent while the micro- (Mn, Na, Zn, Cu) and macro- (Ca, Fe, Mg, K) elements were present in tubers. Furthermore, the variability in diversity of targeted metabolites was visualized using multivariate analysis and accounting 77.169 and 17.62% variance in PC1 and PC2 components, respectively. The current finding unleashed the chemical information including tentative biosynthesis of metabolites, nutraceutical and medicinal values of dietary orchid. Thus, this research will contribute to future agricultural and biotechnological interventions for a higher quality produce, thereby reducing 'over-exploitation' pressures on natural populations and also contributing to sustainable generation of this important bioresource. [Display omitted]. • Total phenolic and flavonoid contents were higher in methanolic extracts of D. hatagirea tubers. • Vanillic acid, dactylorhin A and dactylorhin Bwere quantified using UPLC-PDA. • The environmental toxins (Cd, Hg, Pd, As) were absent in all the extracts. • 152 metabolites were identified using UHPLC-QTOF-IMS and METLIN database in D. hatagirea. • DPPH and ABTS assays revealed antioxidant activity. [ABSTRACT FROM AUTHOR]

Pleurolobus gangeticus (L.) J. St.- Hil. ex H. Ohashi & K. Ohashi (Fabaceae) is an important medicinal plant used to treat various ailments. In this study, we report the antiurolithiatic, antioxidant, and antibacterial potential of chloroform fraction (CF) from P. gangeticus roots. For the chemical profiling, HPTLC, FT-IR, and GC–MS techniques of the CF were carried out, and phytochemical investigation was revealed that stigmasterol (45.06%) is one of the major components present in the fraction. The nucleation and aggregation assays were used to evaluate the in vitro antiurolithiatic activity at various concentration (2–10 mg/mL) of the CF. The results showed that the chloroform fraction had dose-dependent effects on Calcium Oxalate (CaOx) crystal formation. In both the assays, the maximum concentration of 10 mg/mL has shown better results. This concentration resulted significant increase in CaOx crystal nucleation along with the reduction of crystal size and the inhibition of crystal aggregation. Further, the CF showed stronger antioxidant (DPPH, NO, SOD, TRC) potential with an IC50 values of 415.9327, 391.729, 275.971, and 419.14 µg/mL, respectively. The antibacterial evaluation displayed effective results in the Agar well diffusion assay against selective urinary tract infection (UTI) pathogens (Escherichia coli, Klebsiella pneumonia, and Staphylococcus aureus). A maximum zone of inhibition (ZOI) 12.33 ± 1.05 mm for K pneumonia and minimum ZOI of 8.46 ± 0.27 mm for S. aureus were obtained. Further, the ADME-PK property of the stigmasterol was investigated, and it was found to pass the Lipinski and Ghose rules, supporting the drug-likeliness. This is the first record of the antiurolithiatic potential of P. gangeticus along with antioxidant and antibacterial activities. These findings give an insight into the effective drug development and treatment for kidney stones in future. [ABSTRACT FROM AUTHOR]

The present study aimed to determine the chemical composition, enantiomeric distribution and the biological profile of Hedyosmum strigosum essential oil (EO). The antioxidant properties and anticholinesterase effect were measured by spectroscopic methods and antimicrobial potency assessed against 8 bacteria and two fungi. H. strigosum is a native shrub, particularly found in Ecuador and Colombia at 2000 to 3500 m a.s.l. Chemical composition was determined by GC-MS and GC-FID. A total of 44 compounds were detected, representing more than 92% of the EO composition. The main compounds were thymol (24.35, 22.48%), α-phellandrene (12.15, 13.93%), thymol acetate (6.59, 9.39%) and linalool (8.73, 5.82%), accounting for more than 51% of the EO. The enantioselective analysis revealed the presence of 5 pure enantiomers and 3 more as a racemic mixture. The EO exerted a strong antioxidant capacity, determined by ABTS assay, with a SC50 of 25.53 µg/mL and a strong and specific antimicrobial effect against Campylobacter jejuni with a MIC value of 125 µg/mL. A moderate acetylcholinesterase inhibitory effect was also observed with an IC50 value of 137.6 µg/mL. To the best of our knowledge this is the first report of the chemical composition and biological profile of H. strigosum EO. [ABSTRACT FROM AUTHOR]

The study investigated the antidiabetic, antimicrobial, antioxidant, and genotoxic activities of extracts from Centaurea amanicola and C. antitauri (Asteraceae). Methanol extracts were analysed for phenolic and fatty oil contents. Major components of fatty oils were identified, including methyl hexadecanoate (48.30%) and heptacosane (22.13%) in C. antitauri , and methyl hexadecanoate (16.29%) and methyl linoleate (13.55%) in C. amanicola . The highest α-amylase inhibition was observed in hexane extracts of both species with 55.53% and 41.57% inhibition values, respectively. Antioxidant activity, measured by ABTS •+ and DPPH • scavenging, varied among extracts, with notable efficacy in C. antitauri dichloromethane extract and C. amanicola ethyl acetate extract. The dichloromethane extract of C. antitauri demonstrated effectiveness against Candida albicans with MIC= 156.25 µg/mL. Importantly, all extracts were found to be genotoxicity-safe. Overall, the findings highlight the potential of these extracts for various medicinal applications, particularly in managing diabetes and combating microbial infections.

The levels of varietal thiols and the role these compounds play in Colombard wine have not been investigated in detail. This study assessed the levels of the varietal thiols 4-methyl-4-sulfanylpentan-2-one (4MSP), 3-sulfanylhexyl acetate (3SHA) and 3-sulfanylhexan-1-ol (3SH) and their sensory effects in 24 young South African Colombard wines. Levels of 3SHA and 3SH were, in general, in line with those previously reported in South African Chenin blanc and Sauvignon blanc wines. Levels of 4MSP were, in general, found at a narrower range than those reported for Sauvignon blanc wines. Twelve of these wines were also sensorially analysed by a panel of wine industry experts. Aroma descriptors, such as guava, passion fruit, sweat and tomato leaf, which have previously been linked to 3SH and 3SHA, were also found, especially in the wines containing higher levels of these two compounds. Good correlations between 3SHA and sweat and guava were found. This study contributes to the knowledge of varietal thiol levels and their role played in 24 Colombard white wines. It could also lead to wine producers adapting their winemaking g practices to increase levels of varietal thiols if the aroma characteristics linked to these compounds are sought after in this single cultivar wine.

A comprehensive study on chemical characterization of essential oil (EO) constituents of a rarely explored plant species (Matricaria aurea) of the Asteraceae family grown in Saudi Arabia and Jordan was carried out. Analyses were conducted employing gas chromatographic approaches such as GC-MS, GC-FID, and Co-GC, as well as RT, LRI determination, and database and literature comparisons, on two diverse stationary phase columns, which led to the identification of a total of 135 constituents from both EOs. Oxygenated sesquiterpenes were found to be the most predominant chemical class of Saudi M. aurea EOs, in which α-bisabolol (27.8%), γ-gurjunenepoxide (21.7%), (E, E)-α-farnesene (16.3%), and cis-spiroether (7.5%) were present as major components. In contrast, the most dominant chemical class of Jordanian M. aurea oil was found to be sesquiterpene hydrocarbons, where (E, E)-α-farnesene (50.2%), γ-gurjunenepoxide (8.5%), (E)-β-farnesene (8.1%), and (Z, E)-α-farnesene (4.4%) were detected as chief constituents. It is interesting to mention here that Saudi and Jordanian M. aurea EOs showed quite interesting chemical compositions and were found to have different chemotypes when compared to previously reported M. aurea EO compositions.

Oxytropis microphylla (Pall.) DC. is a traditional Tibetan medicine used as an external preparation for clearing heat and detoxification, healing sore muscles, astringent vein hemostasis, defecation, and treating plague, constipation, anthrax, and swollen and painful furuncles. It remains a challenge to comprehensively analyze and identify the chemical constituents of Oxytropis microphylla (Pall.) DC. In this study, a new analytical method using a combination of ultra-high-performance liquid chromatography–mass spectrometry (UHPLC-MS) and effective data mining techniques was established to identify the chemical constituents of Oxytropis microphylla. A total of 127 compounds were identified in O. microphylla extract, including 92 flavonoids, 15 indole alkaloids, and 20 others. After the oral administration of the extract to rats, 22 metabolites were identified in the plasma. The primary in vivo metabolic reactions that occurred after the administration of O. microphylla extract were glucuronidation and sulfation. Therefore, we successfully devised a high-efficiency method to distinguish compounds and used it as a source of post-study to identify the active biological components of O. microphylla extract. [ABSTRACT FROM AUTHOR]

COVID-19 is a disease caused by the coronavirus SARS-CoV-2 and became a pandemic in a critically short time. Phenolic secondary metabolites attracted much attention from the pharmaceutical industries for their easily accessible natural sources and proven antiviral activity. In our mission, a metabolomics study of the Garcinia cambogia Roxb. fruit rind was performed using LC-HRESIMS to investigate its chemical profile, especially the polar aspects, followed by a detailed phytochemical analysis, which led to the isolation of eight known compounds. Using spectrometric techniques, the isolated compounds were identified as quercetin, amentoflavone, vitexin, rutin, naringin, catechin, p-coumaric, and gallic acids. The antiviral activities of the isolated compounds were investigated using two assays; the 3CL-Mpro enzyme showed that naringin had a potent effect with IC50 16.62 μg/mL, followed by catechin and gallic acid (IC50 26.2, 30.35 μg/mL, respectively), while the direct antiviral inhibition effect of naringin confirmed the potency with an EC50 of 0.0169 μM. To show the molecular interaction, in situ molecular docking was carried out using a COVID-19 protease enzyme. Both biological effects and docking studies showed the hydrophobic interactions with Gln 189 or Glu 166, per the predicated binding pose of the isolated naringin. [ABSTRACT FROM AUTHOR]

Shengjiang Xiexin decoction, a traditional Chinese medical formula, has been utilized to alleviate the delayed‐onset diarrhea induced by irino tecan. However, the chemical constituents of this formula and the activities of its constituents remain unclear. In this study, ultrahigh‐performance liquid chromatography‐quadrupole/orbitrap high‐resolution mass spectrometry was employed to comprehensively analyze the chemical constituents of Shengjiang Xiexin decoction. A total of 270 components, including flavonoids, coumarins, triterpenoids, alkaloids, diarylheptanoids and others, were identified or characterized. Multidrug resistance‐associated protein 2 is an efflux transporter responsible for regulating drug absorption. A total of 20 characteristic components from the formula were selected to evaluate their effects on the function of multidrug resistance‐associated protein 2 using the vesicular transport assay. Glycyrrhizic acid and glycyrrhetinic acid were identified as potential multidrug resistance‐associated protein 2 inhibitors, while 9 flavonoid aglycones increased the uptake of the substrate [3H]‐estradiol 17‐β‐glucuronide in the vesicles. This was the first systematic investigation of the chemical constituents from Shengjiang Xiexin decoction and the effect of its characteristic components on the transporter. The results offered a basis for further exploring the detoxification mechanisms of this formula and its interactions with other drugs. [ABSTRACT FROM AUTHOR]

Caraway, a well‐known traditional Uyghur medicine, has been used to treat vitiligo for centuries. Its biological effects on melanin synthesis of caraway have been investigated. However, beyond psoralen and isopsoralen alone, no further chemical component of caraway has been revealed. In this study, ultra‐high performance liquid chromatography coupled with hybrid quadrupole orbitrap mass spectrometry was employed to comprehensively characterize the chemical components present in caraway. Based on accurate mass measurements, key fragmental ions and comparison with reference standards, 75 chemical components were identified in caraway. Moreover, a tandem mass spectrometry method was developed and validated for quantitative analysis of three pairs isomeric components, namely psoralen/isopsoralen, bavachin/isobavachalcone and bavachromene/isobavachromene in rat plasma. Psoralen, isopsoralen, bavachin, and isobavachalcone showed linearity with concentration ranging of 1.0–500.0 ng/ml. The linear ranges for bavachromene and isobavachromene were 0.2–500.0 ng/ml. The accuracies were in ranges of 85%–115% with coefficient of variation errors of less than 15%. Furthermore, the method was applied to quantify the three pairs isomeric components in rats after oral administration of caraway. [ABSTRACT FROM AUTHOR]

We used molecular data to address species delimitation in a species complex of the parmelioid genus Canoparmelia and compare the pharmacological properties of the two clades identified. We used HPLC_DAD_MS chromatography to identify and quantify the secondary substances and used a concatenated data set of three ribosomal markers to infer phylogenetic relationships. Some historical herbarium specimens were also examined. We found two groups that showed distinct pharmacological properties. The phylogenetic study supported the separation of these two groups as distinct lineages, which are here accepted as distinct species: Canoparmelia caroliniana occurring in temperate to tropical ecosystems of a variety of worldwide localities, including America, Macaronesia, south-west Europe and potentially East Africa, whereas the Kenyan populations represent the second group, for which we propose the new species C. kakamegaensis Garrido-Huéscar, Divakar & Kirika. This study highlights the importance of recognizing cryptic species using molecular data, since it can result in detecting lineages with pharmacological properties previously overlooked. [ABSTRACT FROM AUTHOR]

Saffron, the most expensive spice in the world, is comprised of the dried and dark red stigma of Crocus sativus L. flowers of the Iridaceae family. It is mainly used as a spice for imparting color, fragrance, and flavor to food but its medicinal and dyeing properties were also well known. In the USA, saffron products are used as dietary supplements for mood elevation, relaxation, weight loss, and to increase metabolism. The paper describes two analytical methods for the determination of crocetin esters, picrocrocin, safranal in saffron samples, and dietary supplements for inclusion in a monograph under development by the American Herbal Pharmacopoeia. Method validation showed satisfactory results in linearity, precision, and recovery. The content of picrocrocin, safranal, and crocetin esters ranged from 0.6–10.2%, 0.02–0.22%, and 2.8–25.6%, respectively, for thirty-seven stigma samples. Twenty-nine dietary supplements were analyzed. No saffron compounds were found in 16 (55%) of these products. Flower of Carthamus tinctorius and fruit of Gardenia jasminoides were the main adulterants detected in dietary supplements. Summarily, 60 compounds, including five standards were tentatively identified from saffron stigma, style, and petal samples using high-resolution mass spectrometry. Principle component analysis was used to discriminate between saffron stigma samples and dietary supplements. The results indicated that commercial products are of variable quality and the analytical method is suitable for quality assessment of a variety of both raw materials and finished dietary supplements. [ABSTRACT FROM AUTHOR]

Chamaecyparis obtusa, Chamaecyparis pisifera, and Thuja occidentalis produce essential oils of good wood and industrial benefits, including food additives, perfumes, odorants and disinfectants. To identify a single antifungal monoterpene with antifungal activity against Botrytis cinerea, we identified a single antifungal compound by chemically profiling essential oils from three coniferous species. The antifungal activity of coniferous essential oil was slightly different depending on the species but showed high antifungal activity, and T. occidentalis essential oil had the highest antifungal activity among the three essential oils. The chemical composition of essential oils from three coniferous leaves was profiled using GC-MS. The chemical profiles of C. obtusa and C. pisifera were very similar, but T. occidentalis was relatively different from the two species. The chemical composition of the three conifer oils contained 20 each. As a result of profiling three essential oil components with high antifungal activity, the compounds present in all three species were bornyl acetate and terpinyl acetate. These compounds of C. obtusa essential oil were 26.49%, C. pisifera essential oil 25.04% and T. occidentalis essential oil 12.60%. These two compounds were estimated to be antifungal agents. The antifungal activity of the six monoterpenes was different, and the single monoterpene with the highest antifungal activity was bornyl acetate followed by terpinyl acetate. Therefore, it was possible to search for antifungal activity monoterpene components by chemical profiling. Terpinyl acetate and bornyl acetate can be used for environmental-friendly insecticidal active materials.

Justicia vahlii Roth. (acanthaceae) is an important medicinal food plant used in pain relief and topical inflammation. The present study aimed to evaluate phytochemical composition, toxicity, anti-inflammatory, antioxidant and enzyme inhibition potential of n-butanol extract of J. vahlii (BEJv). The extract prepared through maceration was found rich in total phenolic contents (TPC) 196.08 ± 6.01 mg of Gallic acid equivalent (mg GAE/g DE) and total flavonoid contents (TFC) 59.08 ± 1.32 mg of Rutin equivalent (mg RE/g DE). The UPLC-Q-TOF-MS analysis of BEJv showed tentative identification of 87 compounds and 19 compounds were detected in GC–MS analysis. The HPLC-PDA quantification showed the presence of 14 polyphenols amongst which kaempferol (3.45 ± 0.21 µg/ mL DE) and ferulic acid (2.31 ± 1.30 µg/ mL DE) were found in highest quantity. The acute oral toxicity study revealed the safety and biocompatibility of the extract up to 3000 mg/kg in mice. There was no effect of BEJv on human normal liver cells (HL 7702) and very low cytotoxic effect on liver cancer cells (HepG2) and breast cancer cells (MCF-7). In anti-inflammatory evaluation, the BEJv treated groups showed significant inhibition (p

Bee pollen, known as a ‘life-giving dust’, is a product of honeybees using flower pollen grains and combining them with their saliva secretions. Thus, flower pollen could be an indicator of the bee pollen botanical source. Identification of bee pollen sources is a highly crucial process for the evaluation of its health benefits, as chemical composition is directly related to its pharmacological activity. In this study, the chemical profiles, contents of phenolic marker compounds and pharmacological activities of Hedera helix L. (ivy) bee pollen samples from Türkiye and Slovenia, as well as ivy flower pollen grains, were compared. High-performance thin-layer chromatography (HPTLC) analyses revealed that pollen samples, regardless of where they were collected, have similar chemical profiles due to the fact that they have the same botanical origins. Marker compounds afzelin, platanoside and quercetin-3-O-β-glucopyranosyl-(1→2)-β-galactopyranoside, common to both bee pollen and flower pollen, were isolated from bee pollen, and their structures were elucidated by nuclear magnetic resonance (NMR) and mass spectrometry (MS). These three compounds, as well as chlorogenic acid and 3,5-dicaffeoylquinic acid (found in flower pollen), were quantified using high-performance liquid chromatography (HPLC) analyses. In vitro tests and effect-directed analyses were used to evaluate the xanthine oxidase inhibition and antioxidant activity of the marker compounds and extracts from flower pollen and bee pollen. This is the first report comparing chemical profiles and related bioactivities of the flower pollen and bee pollen of the same botanical origin, as well as the first report of the chemical profile and related bioactivities of ivy flower pollen.

It is becoming increasingly challenging to maintain crop yields and quality as the global climate changes. The aim of this study was to determine whether and how the profile of health-promoting and taste-related compounds of radishes changes within a growing season. A total of 16 radish (Raphanus sativus L.) genotypes that are commercially available on the Czech market were assessed by means of chemical analysis. Radishes were cultivated in three independent growing cycles under controlled conditions, and the effects of the genotype and growing cycle, as well as their interactions, on the chemical traits were evaluated. Most of the variability in chemical composition was associated with the growing cycle, which accounted for 51.53% of total variance, followed by the genotype (26% of total variance). The interaction between the growing cycle and genotype explained 22.47% of total variance. The growing cycle had the strongest effect on amino acid profiles. More specifically, the amino acids that are known to contribute to overall taste (glycine, along with glutamic and aspartic acids) showed the highest degree of variation, while the amino acids related to glucosinolate biosynthesis (methionine, isoleucine, tryptophan, and phenylalanine) showed relatively low variability. On the other hand, indole glucosinolates were found to differ the most between genotypes.