BACKGROUND:Cranberry (Vaccinium macrocarpon) contains diverse hydrophilic phytochemicals, but their compositional profiles and cultivar-specific variation have not been comprehensively characterized. OBJECTIVE:The objective of this study was to profile hydrophilic metabolites in cranberry cultivars and identify constituents that differentiate among cultivars. METHODS:Water-eluted fractions of Sephadex® LH-20-separated cranberry extracts from six cultivars (Crimson Queen, Demoranville, Haines, Mullica Queen, Stevens, and Welker) were analyzed using ultra-HPLC-high-resolution accurate-mass tandem mass spectrometry (UHPLC-HRAM-MSn). Metabolites were annotated based on accurate mass and MS2 fragmentation data and comparison with literature reports. Sparse partial least-squares discriminant analysis (sPLS-DA) was applied to assess classification performance and identify discriminative features. RESULTS:Thirty-nine putative hydrophilic metabolites were identified, including hydroxycinnamic acid hexose derivatives, anthocyanins, hydroxycinnamoylquinic acids, and a distinct group of iridoid glycosides. Vaccinoside and several coumaroyl-substituted monotropein derivatives were structurally characterized in cranberry for the first time. sPLS-DA identified iridoid glycosides as key discriminators, with higher abundance observed in the Welker cultivar. CONCLUSION:Cranberry cultivars contain previously unreported iridoid glycosides that contribute to chemotaxonomic differentiation. These results expand current knowledge of cranberry hydrophilic phytochemistry and support the relevance of iridoid glycosides as cultivar-informative metabolites. HIGHLIGHTS:This study characterizes the highly polar, water-eluted fraction of six cranberry cultivars using UHPLC-HRAM-MSn analysis, resulting in the putative identification of 39 compounds, including a prominent series of iridoid glycosides.

Ultrahigh-performance liquid chromatography-photodiode array-high-resolution tandem mass spectrometry (UHPLC-PDA-HRMS/MSn) enabled the identification of 68 flavonoids and 29 other polar compounds in baby spinach cultivated in controlled environments and soil-based open-field production. Aglycone, glycosyl, and acyl substituents of each glycoside were deduced using diagnostic fragments from multiple stages of fragmentation. Putative compound assignments were made by comparing major fragments, UV absorption maxima, and the elution order with reference standards in an in-house database. Concentrations of key polyphenols were quantified using mole relative response factors (MRRFR) referenced to rutin to enable comparison between production systems. Metabolite profiling revealed clear chemical differentiation between controlled environment agriculture (CEA) and open-field (OF) spinach. Several discriminating metabolites, including 5,3 ',4 '-trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4 '-O-glucuronide, jaceidin 4 '-O-glucuronide, patuletin 3-O-pentosyldiglucoside, and spinacetin 3-O-pentosyldiglucoside, were highlighted as key spinach constituents, consistent with previous findings. This comprehensive phytochemical characterization of baby spinach showed clear shifts under different growing conditions, reflecting the sensitivity of secondary metabolism to environmental cues and the importance of growth conditions in shaping phytochemical profiles.

Ganoderma is a multi-species fungal genus of economic importance with various health-promoting effects. It is widely used as an ingredient for dietary supplements, functional foods, or medicines globally. Triterpenoids are the main bioactive components responsible for the therapeutic and pharmacological properties of Ganoderma. This study investigated the triterpenoid profiles of fruiting bodies of Ganoderma lucidum (GL), Ganoderma japonicum (GJ), Ganoderma applanatum (GA), and Ganoderma tsugae (GT), as well as commercial mycelium biomass products. Thirty-five fruiting body samples and eight mycelium biomass samples obtained from the American Herbal Pharmacopoeia (Soquel, CA) were analyzed using ultra-performance liquid chromatography-high-resolution mass spectrometry (UHPLC-HRMS) combined with molecular networking. A total of 93 compounds including 88 triterpenoids were detected and tentatively identified in the fruiting bodies. In contrast, no triterpenoids were detected in the mycelium biomass samples under the same analytical conditions. Among the fruiting bodies, inconsistent chemical profiles were observed both between Ganoderma species, and among samples labeled as the same species, particularly within GL. The results of this study indicate that evaluating the triterpenoid profiles of samples is very important for quality control. The triterpenoid profiles among different Ganoderma species revealed in this study may help species identification and authentication in future studies.

BACKGROUND:Cranberry (Vaccinium macrocarpon Ait.) is a highly consumed fruit found in foods and supplements and grown throughout northern North America. Its tart flavor makes it a common food ingredient, rather than being directly consumed as fresh fruit. OBJECTIVE:Cranberry fruit samples of 15 genotypes (cultivars and accessions) grown in 16 locations in 4 states (MA, NJ, OR, and WI) and a Canadian province (British Columbia) were analyzed by mass spectrometry. Data were analyzed using chemometric methods to determine the correlation of composition with geographic location. METHOD:214 cranberry samples were analyzed by nontargeted fuzzy chromatography-direct injection mass spectrometry. Data were collected for 206 ions and analyzed by multifactorial multivariate-analysis of variance-principal component analysis (MFMV-ANOVA-PCA). RESULTS:Sample composition varied statistically (P < 0.001) with respect to the major experimental factors (state/province, growing location, genotype, and analytical batch) and cross factors (genotype-state/province and genotype-growing location). PCA score plots verified a systematic variation with respect to 42 genotype-state/province pairs and 82 genotype-growing location pairs. PCA variable loadings identified major ions that varied with each of the major factors and cross factors and 56 ions were annotated. The location-ion count matrix was transposed and analyzed by hierarchical cluster analysis (HCA) producing dendrograms that grouped ions with respect to metabolic pathways for either the genotype-state/province or genotype-growing location pairs. Annotation of the ions in the hierarchical clusters allowed evaluation of the impact of genetics and location on compounds of interest. Ions expected to correlate with fruit quality measurements (brix, titratable acid, total anthocyanins, and total pro-anthocyanidins) were identified. CONCLUSIONS:This study demonstrates that mass spectral data coupled with chemometric analysis is a valuable tool for predicting the composition of specific genotypes for specific growing locations. HIGHLIGHTS:The general design of this study can be used as a model for other food plants.

Light intensity is a crucial factor impacting the cost-efficiency of controlled environment agriculture (CEA). Broccoli microgreens were cultivated under different photosynthetic photon flux densities: 50, 100, and 150 μmol•m-2•s-1 with white light-emitting diodes (LEDs), and an additional far-red (FR) light supplement (20% of total photon flux density) at the 50 μmol•m-2•s-1 intensity. This study examines how low light intensity influences the chemical profile and glucosinolate accumulation in broccoli microgreens through both nontargeted and targeted metabolomics with molecular networking analysis. The analysis identified 28 glucosinolates and 23 phenolic compounds with targeted quantification of 12 glucosinolates. The results showed that FR light supplementation significantly increased the total glucosinolate content compared to white light-only treatments, while similar glucosinolate levels were found across the different white light intensities. These findings provide valuable insights for optimizing LED light intensity to enhance glucosinolate accumulation in broccoli microgreens, thus promoting more efficient energy use in CEA.

Glucosinolates, a crucial group of secondary metabolites in Brassica vegetables, present significant chromatographic separation challenges due to their anionic form, structure diversities, and co-existence of other phenolic compounds. This study comparatively investigated the retention and separation of seven glucosinolates using a mixed-mode reversed-phase/weak anion-exchange column and a conventional reversed-phase C18 column. Separation factors for each glucosinolate with its adjacent peaks were over 1.0 on the mixed-mode column, while co-eluting was observed on the C18 column. The effects of mobile phase additives and pH on the separation and retention of glucosinolates were also investigated. Results showed that glucosinolate retention was inversely related to both buffer concentration and pH. The optimized method for the mix-mode column was applied to the complex Brassica vegetable samples. In addition to the 17 well-resolved glucosinolate peaks, 34 peaks for phenolic compounds were identified in broccoli microgreen, suggesting the successful application scenarios for qualitative analysis in comparison with the single mode reverse phase C18 column. This study demonstrates that the mixed-mode reversed-phase/weak anion-exchange column can be used as a promising separation tool for organic anions in a complex sample matrix.

The effects of anthocyanin's substitution groups on the UV-Vis molar absorptivity were examined by analyzing a group of 31 anthocyanidin/anthocyanin reference standards with ultra-high performance liquid chromatography-diode array detector (UHPLC-DAD). The substitution groups on aglycones were found to associate with molar absorptivity variations, often neglected in anthocyanin quantitation, resulting in significant analytical errors. A simple yet comprehensive strategy based on the molar relative response factors (MRRFs) and a single master reference calibration (i.e., cyanidin-3-glucoside) was proposed to quantify anthocyanins in red cabbage, blueberry, and strawberry samples with improved analytical accuracy. The results indicate this approach provides an effective, inexpensive, and accurate analytical method for anthocyanins in food materials without using individual reference standards. MRRFs of 617 anthocyanins/anthocyanidins were calculated, and the information is freely available at https://BotanicalDC.online/anthocyanin/. This study could be critical to developing new reference methods for anthocyanin analysis and harmonizing results and data from various sources.

Anthracnose is a widespread plant disease caused by various species of the fungal pathogen Colletotrichum. In solanaceous plants such as tomato (Solanum lycopersicum), Colletotrichum infections exhibit a quiescent, asymptomatic state in developing fruit, followed by a transition to necrotrophic infections in ripe fruit. Through analysis of fruit tissue extracts of 95L368, a tomato breeding line that yields fruit with enhanced anthracnose resistance, we identified a role for steroidal glycoalkaloids (SGAs) in anthracnose resistance. The SGA α-tomatine and several of its derivatives accumulated at higher levels, in comparison with fruit of the susceptible tomato cultivar US28, and 95L368 fruit extracts displayed fungistatic activity against Colletotrichum. Correspondingly, ripe and unripe 95L368 fruit displayed enhanced expression of glycoalkaloid metabolic enzyme (GAME) genes, which encode key enzymes in SGA biosynthesis. Metabolomics analysis incorporating recombinant inbred lines generated from 95L368 and US28 yielded strong positive correlations between anthracnose resistance and accumulation of α-tomatine and several derivatives. Lastly, transient silencing of expression of the GAME genes GAME31 and GAME5 in anthracnose-susceptible tomato fruit yielded enhancements to anthracnose resistance. Together, our data support a role for SGAs in anthracnose defense in tomato, with a distinct SGA metabolomic profile conferring resistance to virulent Colletotrichum infections in ripe fruit.

Background Myasthenia gravis (MG) is an autoimmune neuromuscular disorder that most frequently affects the extraocular muscles (EOMs), which causes symptoms such as ptosis and restricted eye movement. The EOMs in MG patients are representative of autoimmune inflammatory changes in muscle tissue. Currently, there is no reliable, and sensitive imaging technique for monitoring EOM changes to assist in the evaluation of underlying pathological changes. Methods This study included MG patients treated between March and November 2022 at the First Affiliated Hospital of Sun Yat-sen University. Healthy controls (matched by age and sex) were included. Participants underwent 3.0 T MRI with magnetization transfer imaging (MTI) and T2-mapping to measure the magnetization transfer ratio (MTR) and T2-mapping values in the superior, inferior, medial, and lateral rectus muscles. Comparisons were made between MG patients and healthy controls, and between MG subgroups with and without ophthalmoparesis. Results The MTR and T2-mapping values successfully reflected EOM fibrosis and inflammatory edema in MG patients. MG patients showed significantly higher MTR and T2-mapping values in the EOMs compared with healthy controls. MG patients with ophthalmoparesis exhibited a lower MTR but higher T2-mapping value compared with those without ophthalmoparesis. Combined MTR and T2-mapping values effectively distinguished between MG patients and healthy controls, and between different severities of EOM involvement, with a superior diagnostic accuracy compared with each parameter alone. Conclusion The combination of MTI and T2-mapping MRI techniques can provide key insight into the pathological changes in EOMs in MG patients. This approach enhances early diagnosis and treatment planning, and therefore may improve clinical outcomes.

This study aimed to establish a strategy for identifying dietary intake biomarkers using a non-targeted metabolomic approach, including metabolic pathway and network analysis. The strategy was successfully applied to identify dietary intake biomarkers in fecal samples from pigs fed two doses of a polyphenol-rich fruit and vegetable (FV) diet following the Dietary Guidelines for Americans (DGA) recommendations. Potential biomarkers were identified among dietary treatment groups using liquid chromatography-high resolution mass spectrometry (LC-HRMS) based on a non-targeted metabolomic approach with metabolic pathway and network analysis. Principal component analysis (PCA) results showed significant differences in fecal metabolite profiles between the control and two FV intervention groups, indicating a diet-induced differential fecal metabolite profile after FV intervention. Metabolites from common flavonoids, e.g., (epi)catechin and protocatechuic acid, or unique flavonoids, e.g., 5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone and 3,5,3',4'-tetrahydroxy-6,7-methylenedioxyflavone, were identified as highly discriminating factors, confirming their potential as fecal markers for the FV dietary intervention. Microbiota pathway prediction using targeted flavonoids provided valuable and reliable biomarker exploration with high confidence. A correlation network analysis between these discriminatory ion features was applied to find connections to possible dietary biomarkers, further validating these biomarkers with biochemical insights. This study demonstrates that integrating metabolic pathways and network analysis with a non-targeted metabolomic approach is highly effective for rapid and accurate identification and prediction of fecal biomarkers under controlled dietary conditions in animal studies. This approach can also be utilized to study microbial metabolisms in human clinical research.

A comprehensive analysis was conducted on 112 fruit samples harvested in 2019 from six different cultivars of cranberry (Vaccinium macrocarpon Ait.). These cranberry crops were cultivated in both New Jersey and Wisconsin, under the management of diverse growers. The six cultivars investigated include Stevens (ST), Crimson Queen (CQ), Demoranville (DM), Mullica Queen (MQ), Welker (WE), and Haines (HA). This study delved into the variability and determinants of secondary metabolite profiles in cranberry. Fuzzy chromatograph mass spectrometry (FCMS) and ultra-high performance liquid chromatography high-resolution accurate-mass multistage mass spectrometry (UHPLC-HRAM-MSn) were used for analysis. Factorial multivariate analysis of variance (MANOVA)-principal component analysis (PCA) was employed to assess six experimental factors, including cultivar, cranberry growing state, grower, harvest times, and both analytical and biological replicates. The most substantial influence on the overall variability was observed with respect to cultivars and cultivation states. Specifically, the factor “cultivar” contributed 16.3 % to the total variance in the polar chemical profile, while the factor “state” contributed 31.5 %. Similarly, in the less polar chemical profile, the contributions were 29.0 % for “cultivar” and 22.3 % for “state” to the total variance. Consequently, the primary objective of this study was to examine the variations in the relative contents of secondary metabolite among cranberries cultivated in New Jersey and Wisconsin. The findings revealed that geographic factors exerted a significant effect on the levels of certain organic acids, flavonol glycosides, and iridoids even within the same cranberry cultivar.

Far-red (FR) light influences plant development significantly through shade avoidance response and photosynthetic modulation, but there is limited knowledge on how FR treatments influence the growth and nutrition of vegetables at different maturity stages in controlled environment agriculture (CEA). Here, we comprehensively investigated the impacts of FR on the yield, morphology, and phytonutrients of ruby streaks mustard (RS) at microgreen, baby leaf, and flowering stages. Treatments including white control, white with supplementary FR, white followed by singularly applied FR, and enhanced white (WE) matching the extended daily light integral (eDLI) of FR were designed for separating the effects of light intensity and quality. Results showed that singular and supplemental FR affected plant development and nutrition similarly throughout the growth cycle, with light intensity and quality playing varying roles at different stages. Specifically, FR did not affect the fresh and dry weight of microgreens but increased those values for baby leaves, although not as effectively as WE. Meanwhile, FR caused significant morphological change and accelerated the development of leaves, flowers, and seedpods more dramatically than WE. With regard to phytonutrients, light treatments affected the metabolomic profiles for baby leaves more dramatically than microgreens and flowers. FR decreased the glucosinolate and anthocyanin contents in microgreens and baby leaves, while WE increased the contents of those compounds in baby leaves. This study illustrates the complex impacts of FR on RS and provides valuable information for selecting optimal lighting conditions in CEA.

Dandelion polysaccharides contribute to a variety of biological activities. This study evaluated the effect of different extraction temperatures (4 degrees C and 80 degrees C) on the structural characteristics and antioxidant activity of dandelion leaf polysaccharides (DLP). The findings demonstrated that the extraction efficiency improved at the higher temperature, while molecular weight exist a trend of degradation with increasing extraction temperature. Ion chromatography (IC) analysis indicated that the polysaccharides DLP4 and DLP80 were structurally complex heteropolysaccharides mainly composed of galactose, arabinose, glucose and mannose, with galactose and arabinose dominating. FT-IR and methylation analysis revealed that DLP4 and DLP80 had similar chemical structures and branches. DLP4 contained a higher amount of 6-Galactose. Microstructure analysis showed that heat treatment caused conformational changes in DLP4 and DLP80. Both had excellent free radical scavenging ability including DPPH & sdot;, ABTS & sdot;+, OH & sdot; and reducing power. The Reactive Oxygen Species assay indicated that the protective effect of DLP4 against H2O2-induced oxidative damage in vitro was stronger than that of DLP80. Superoxide dismutase (SOD) and malondialdehyde (MDA) measurements also confirmed that the antioxidant effect of DLP4 was more prominent. Overall, low temperature extracted DLP can be used as an antioxidant in the areas of food, medicine and biomaterials.

Turmeric (Curcuma longa L.) is a perennial tuberous plant from the genus Curcuma (Zingiberaceae) and has been widely used in foods for thousands of years. The present study examined the ethanol extract of turmeric for its chemical composition, antimicrobial activity, and free radical scavenging properties. UHPLC-MS/MS analysis tentatively identified eight compounds in the turmeric extract. Potential antimicrobial effects of 0.1, 1.0, and 10 mg turmeric equivalents (TE)/mL were evaluated in vitro against a variety of Gram-negative bacteria (i.e., Escherichia coli, Klebsiella pneumoniae, and Pseudomonas sp.) and Gram-positive bacteria (i.e., Enterococcus faecalis, Listeria innocua, and Staphylococcus aureus). Concentrations of 0.1 and 1.0 mg TE/mL inhibited the growth of S. aureus and significantly suppressed that of Pseudomonas sp., E. faecalis, and L. innocua. The growth of all strains, including E. coli, was inhibited by 10 mg TE/mL. Moreover, free radical scavenging capacities were determined using HO●, ABTS●+, and DPPH● (HOSC, ABTS, and RDSC, respectively) radicals. The turmeric ethanol extract had a TPC value of 27.12 mg GAE/g, together with HOSC, RDSC, and ABTS values of 1524.59, 56.38, and 1.70 μmol TE/g, respectively. Our results suggest that turmeric extract has potential applications for use in functional foods to reduce microbial burdens and oxidative stress-related health problems.

Kale (Brassica oleraceavar. sabellica) is a rich source of health-promoting phytochemicals. The current study seeks to elucidate dynamic changes in phytochemical profiles during kale maturation. Total and individual polyphenols and glucosinolates (GLs) from different developmental stages (microgreen, kale, mature, and postmature) of kale were determined and compared using a high-resolution mass spectrometry (HRMS)-based metabolomics strategy. A total of 51 polyphenols and 7 GLs were identified in the kale samples. In addition, we observed significant shifts in the metabolite profiles of kale as the plant progressed from microgreens to mature leafy greens with distinct profiles at each growing stage. The total polyphenol levels were highest in the baby kales, while the GL levels were highest in microgreens. Multivariate analysis identifies GLs and specific hydroxycinnamic acyl glycosides as prominent metabolites in microgreens; however, Quercetin (Qn)-glycosides and Qn-hydroxycinnamic acyl glycosides are unique metabolites in the baby kales. Our study provides valuable insights into the changes in kale secondary metabolites that occur during different stages of the vegetable's production cycle.

Glucosinolates (GLSs) are a well-studied sulfur-containing compound found in Brassicaceae plants that play critical roles in plant resistance and human health. Correctly identifying and reliably quantifying the total and individual GLS content is of great importance. An improved method as an alternative to the ISO 9167-1 (ISO) method is developed in the present study. An efficient extraction and purification procedure is proposed with a commercially available dimethylaminopropyl (DEA)-based weak anion exchange solid-phase extraction (SPE) cartridge instead of using the self-prepared ion-exchange columns in the ISO method. The GLSs are identified and quantified by ultra high-performance liquid chromatography (UHPLC) high-resolution mass spectrometry (HRMS). The method demonstrates a comparable quantification of total and individual GLSs on certified rapeseeds and other Brassicaceae vegetables when compared to the ISO method. The developed SPE method is simpler and more efficient, thus allowing for applications to a large sample size with reduced analysis time, improved repeatability and accuracy, and possible automation.

Turmeric is one of the most popular herbal botanicals used in the food and dietary supplement (DS) industries. As a DS, it faces labeling inconsistency and authenticity issues due to economic motivation. This research evaluated the labeling claim accuracy and chemical profile of commercial turmeric dietary supplemental products. Ten turmeric DSs from the US market along with one reference standard and two rhizome powders were analyzed using ultrahigh-performance liquid chromatography-high-resolution mass spectrometry. Except 2 samples not given clear label facts, only 3 out of the 10 samples analyzed met the labeling expectation of curcuminoid amounts based on the sum of curcumin (CUR), demethoxycurcumin (DMC), and bisdemethoxycurcumin (BMC) quantities. In addition, 13 known curcuminoids and volatile compounds were selected to represent the "natural" metabolite profile of turmeric, and the metabolite profiles of the commercial products were evaluated. Considering the addition of synthetic ingredients will break the "natural profile" ratio of turmeric, the ratios of curcuminoids/turmerones and ratios of CUR/DMC/BMC were selected as the quality markers after evaluating the metabolite profiles of turmeric rhizome samples and DSs. The natural turmeric (voucher sample and raw rhizome samples) has a ratio of less than 20% while some of the DS samples have ratios higher than 50% for turmerones/curcuminoids, and the curcumin ratio to curcuminoids is about 60 to 65% for the natural turmeric while some of the DS samples are well over 80%. The results suggest both the ratio of curcuminoids/turmerones and the ratio of CUR/DMC/BMC may be used as indicators for the quality markers of turmeric DSs.

A series of benzimidazole-based liquid crystal compounds containing laterally difluoro-substituted and ethynyl linking groups, namely, 2-(4-(2-(2,3-difluoro-4-(alkoxy) phenyl)ethynyl)phenyl)-1-methyl-1 H-benzimidazolem derivatives (nPF(2,3)EPMx), are synthesised and investigated for their mesomorphic properties. These compounds mainly display enantiotropic nematic mesophases in the ranges of 32.0-44.5 degrees C (heating process) and 50.0-64.0 degrees C (cooling process). 10PF(2,3)EPMx exhibits lower clearing points and broader nematic phase ranges than nonfluorinated reference compound 10PEPMx, because of their slightly increased dipole moment. nPF(2,3)EPMx displays much larger theoretical birefringence (0.43-0.55) and experimental birefringence (0.42-0.53) than the common tolane-based liquid crystals, which is ascribed to its large pi-conjugated molecule composed of benzene core, ethynyl linking group and benzimidazole terminated unit. The theory results of three-dimensional molecular conformations with dipole moment (mu), ratio of length to width (L/W), polarisability anisotropy (Delta alpha) and average polarisability (Delta alpha) calculated with density functional theory are also helpful in explaining the experimental results.

American ginseng (Panax quinquefolius L.) has been recognized as a valuable herb medicine, and ginsenosides are the most important components responsible for the health-beneficial effects. This study investigated the secondary metabolites responsible for the differentiation of wild and cultivated American ginsengs with ultrahigh-performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS)-based metabolomic approach. An in-house ginsenoside library was developed to facilitate data processing and metabolite identification. Data visualization methods, such as heatmaps and volcano plots, were utilized to extract discriminated ion features. The results suggested that the ginsenoside profiles of wild and cultivated ginsengs were significantly different. The octillol (OT)-type ginsenosides were present in greater abundance and diversity in wild American ginsengs; however, a wider distribution of the protopanaxadiol (PPD)-and oleanolic acid (OA)-type ginsenosides were found in cultivated American ginseng. Based on the tentative identification and semi-quantification, the amounts of five ginsenosides (i.e., notoginsenoside H, glucoginsenoside Rf, notoginsenoside R1, pseudoginsenoside RT2, and ginsenoside Rc) were 2.3–54.5 fold greater in wild ginseng in comparison to those in their cultivated counterparts, and the content of six ginsenosides (chicusetsusaponin IVa, malonylginsenoside Rd, pseudoginsenoside Rc1, malonylfloralginsenoside Rd6, Ginsenoside Rd, and malonylginsenoside Rb1) was 2.6–14.4 fold greater in cultivated ginseng compared to wild ginseng. The results suggested that the in-house metabolite library can significantly reduce the complexity of the data processing for ginseng samples, and UHPLC-HRMS is effective and robust for identifying characteristic components (marker compounds) for distinguishing wild and cultivated American ginseng.

This study evaluated the chemical composition of rosemary water extract (RWE) and its influence on mechanisms by which the SARS-CoV-2 virus enters into cells as a potential route for reducing the risk of COVID-19 disease. Compounds in RWE were identified using UHPLC-MS/MS. The inhibitory effect of RWE was then evaluated on binding between the SARS-CoV-2 spike protein (S-protein) and ACE2 and separately on ACE2 activity/availability. Additionally, total phenolic content (TPC) and free radical scavenging capacities of RWE against HO•, ABTS•+, and DPPH• were assessed. Twenty-one compounds were tentatively identified in RWE, of which tuberonic acid hexoside was identified for the first time in rosemary. RWE dose of 33.3 mg of rosemary equivalents (RE)/mL suppressed the interaction between S-protein and ACE2 by 72.9%, while rosmarinic and caffeic acids at 3.3 μmol/mL suppressed the interaction by 36 and 55%, respectively. RWE at 5.0, 2.5, and 0.5 mg of RE/mL inhibited ACE2 activity by 99.5, 94.5, and 68.6%, respectively, while rosmarinic acid at 0.05 and 0.01 μmol/mL reduced ACE2 activity by 31 and 8%, respectively. RWE had a TPC value of 72.5 mg GAE/g. The results provide a mechanistic basis on which rosemary may reduce the risk of SARS-CoV-2 infection and the development of COVID-19.