Lettuce (Lactuca sativa L.) alters its metabolite accumulation to cope with CuO nanoparticles by promoting antioxidant production and carbon metabolism.

Copper-based nanoparticles (NPs) are gradually being introduced as sustainable agricultural nanopesticides. However, the effects of NPs on plants requires carefully evaluation to ensure their safe utilization. In this study, leaves of 2-week-old lettuce (Lactuca sativa L.) were exposed to copper oxide nanoparticles (CuO-NPs, 0 [CK], 100 [T1], and 1000 [T2] mg/L) for 15 days. A significant Cu accumulation (up to 1966 mg/kg) was detected in lettuce leaves. The metabolomics revealed a total of 474 metabolites in lettuce leaves, and clear differences were observed in the metabolite profiles of control and CuO-NPs treated leaves. Generally, phenolic acids and alkaloids, which are important antioxidants, were significantly increased (1.26-4.53 folds) under foliar exposure to NPs; meanwhile, all the significantly affected flavonoids were down-regulated after CuO-NP exposure, indicating these flavonoids were consumed under oxidative stress. Succinic and citric acids, which are key components of the tricarboxylic acid cycle, were especially increased under T2, suggesting the energy and carbohydrate metabolisms were enhanced under high-concentration CuO-NP treatment. There was also both up- and down-regulation of fatty acids, suggesting cell membrane fluidity and function responded to CuO-NPs. Galactinol, which is related to galactose metabolism, and xanthosine, which is crucial in purine and caffeine metabolism, were down-regulated under T2, indicating decreased stress resistance and disturbed nucleotide metabolism under the high CuO-NP dose. Moreover, the differentially accumulated metabolites were significantly associated with plant growth and its antioxidant ability. Future work should focus on controlling the overuse or excessive release of NPs into agricultural ecosystems to limit their adverse effects.

Comprehensive Analysis of Chemical Ingredients of Waiganfengsha Granule and Absorbed Components in Rat Plasma Based on UHPLC-Q-TOF-MS.

OBJECTIVE: Waiganfengsha Granule, an over-the-counter drug, is commonly used for treating windheat cold and sore throat in clinical settings. However, its material basis of medicinal efficacy is still unclear. In this study, an efficient integrated analytical strategy was established for its chemical and metabolite profiles study. METHODS: Firstly, to avoid the possible false-positive results of structural elucidation, an in-house component library that contains chemical constituents reported in the literature from the six individual medicines of Waiganfengsha Granule was established. Secondary, mass data post-processing techniques, including precursor ion list and neutral loss filtering, were applied to enhance the identification accuracy. Thirdly, for the rapid characterization of those absorbed components after oral administration in rats, the identified chemical constituents were used as candidate components for the serum analysis. By comparing the retention time and analyzing mass data, the metabolites in rat plasma were identified. RESULTS: As a result, 57 chemical ingredients were identified, including 21 phenolic acids, 9 alkaloids, 2 flavonoids, 5 lignins, 13 saponins, and 7 other compounds. Among these, 12 compounds were unambiguously identified by comparison with reference standards, and 45 were tentatively characterized by analyzing their accurate MS data, MS/MS fragmentation patterns, and also by comparison with those data reported in the literature. Additionally, 46 metabolites were detected and identified in rat plasma. CONCLUSION: This study is beneficial for understanding the chemical composition and metabolic profiles of Waiganfengsha Granule, and the results obtained might provide a solid basis for further studies on its functional mechanism.

Water stress and exogenous carnitine on growth and essential oil profile of Eryngium foetidum L.

Water stress influences plant growth and metabolism. Carnitine, an amino acid involved in lipid metabolism, has been related to responses of plants to abiotic stresses, also modulating their metabolites. Culantro (Eryngium foetidum L.) is a perennial herb, rich in essential oils, native to Latin America, commonly used due to its culinary and medicinal properties. Here, we investigated the effect of exogenous carnitine on morphophysiology and the essential oil profile of culantro plants under water stress. For this, plants were grown under three water conditions: well-watered, drought stress, and re-watered; and sprayed with exogenous carnitine (100 µM) or water (control). Culantro growth was impaired by drought and enhanced by re-watering. Carnitine, in turn, did not reverse drought effects on growth, and impaired the growth of re-watered plants, also improving photosynthetic pigment content. Water conditions and carnitine application changed the essential oil profile of the plants. Drought and re-watering improved the production of eryngial, which was even increased with exogenous carnitine in re-watered plants. In addition, hydroquinone was only produced with the combination of re-watering and carnitine application. The application of exogenous carnitine can be a strategy to induce the production of essential oil compounds with cosmetic and pharmaceutical importance in culantro. Supplementary Information: The online version contains supplementary material available at 10.1007/s13205-023-03757-y.

Widely targeted metabolomics analysis of different Wuyi Shuixian teas and association with taste attributes.

There are two major types of Wuyi Shuixian teas with distinct flavor properties in the market: regular Shuixian, and Laocong Shuixian that is produced from old tea plants with higher sale price. However, the chemical composition difference between these two types of Shuixian teas is still unclear. In this study, the widely targeted metabonomics and sensory evaluation were carried out to investigate the metabolite profiles and the flavor properties of Laocong and regular Shuixian tea samples. The results of organoleptic evaluation showed the Laocong Shuixian teas achieved dramatically higher total scores of sensory quality than that of regular Shuixian, and the sour palate of Laocong Shuixian tea was much lower than that of regular Shuxian. A total of 692 metabolites were identified by using metabolic determination, 43 of which were different metabolites in Laocong Shuixian teas discriminated from regular Shuixian. The contents of caffeic acid, kaemperfin, genistin, quercetin 3-glycosides and p-coumaric acid-O-glycoside were abundantly present in regular Shuixian tea. The analysis on different metabolites and taste attributes showed that phenolic acidic compounds were the major contributors to the sour taste of regular Shuixian. This study interpreted the chemicals underlying the different taste properties of Laocong and regular Shuixian teas.

Deciphering chemical and metabolite profiling of Chang-Kang-Fang by UPLC-Q-TOF-MS/MS and its potential active components identification.

Chang-Kang-Fang (CKF) formula, a Traditional Chinese Medicine (TCM) prescription, has been widely used for the treatment of irritable bowel syndrome (IBS). However, its potential material basis and underlying mechanism remain elusive. Therefore, this study employed an integrated approach that combined ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) with network pharmacology to systematically characterize the phytochemical components and metabolites of CKF, as well as elucidating its underlying mechanism. Through this comprehensive analysis, a total of 150 components were identified or tentatively characterized within the CKF formula. Notably, six N-acetyldopamine oligomers from CicadaePeriostracum and eight resin glycosides from Cuscutae Semen were characterized in this formula for the first time. Meanwhile, 149 xenobiotics (58 prototypes and 91 metabolites) were detected in plasma, urine, feces, brain, and intestinal contents, and the in vivo metabolic pathways of resin glycosides were elaborated for the first time. Furthermore, network pharmacology and molecular docking analyses revealed that alkaloids, flavonoids, chromones, monoterpenes, N-acetyldopamine dimers, p-hydroxycinnamic acid, and Cus-3/isomer might be responsible for the beneficial effects of CKF in treating IBS, and CASP8, MARK14, PIK3C, PIK3R1, TLR4, and TNF may be its potential targets. These discoveries offer a comprehensive understanding of the potential material basis and clarify the underlying mechanism of the CKF formula in treating IBS, facilitating the broader application of CKF in the field of medicine.

Postharvest light-induced flavonoids accumulation in mango (Mangifera indica L.) peel is associated with the up-regulation of flavonoids-related and light signal pathway genes.

Introduction: Flavonoids are important secondary metabolites in plants and light is a crucial environmental factor regulating flavonoids biosynthesis. However, effect of light on the different flavonoids compositions accumulation in mango and the relevant molecular mechanism still need to be clarified. Methods: In this study, green-mature fruits of red mango cultivar 'Zill' were subjected to postharvest light treatment, and fruit peel color, total soluble solids content, total organic acid, and firmness of flesh were measured. The flavonoids metabolites profile, and the expression of flavonoids-related genes and light signal pathway genes were also analyzed. Results: Results showed that light treatment promoted the red coloration of fruit peel and increased the total soluble solids content and firmness of flesh. The concentration of flavonols, proanthocyanidins and anthocyanins, and expression of key flavonoids biosynthetic genes including MiF3H, MiFLS, MiLAR, MiANS, MiUFGT1, and MiUFGT3 were significantly induced by light. The MYBs regulating flavonols and proanthocyanidins, i.e. MiMYB22 and MiMYB12, as well as the key light signal pathway transcription factors (TFs) MiHY5 and MiHYH, were identified in mango. The transcription of MiMYB1, MiMYB12, MiMYB22, MiHY5 and MiHYH was up-regulated by light. Discussion: Our results provide a postharvest technology to improve mango fruit appearance quality, and are helpful to reveal the molecular mechanism of light-induced flavonoids biosynthesis in mango.

Deciphering chemical and metabolite profiling of Chang-Kang-Fang by UPLC-Q-TOF-MS/MS and its potential active components identification / 中国天然药物

Chang-Kang-Fang (CKF) formula, a Traditional Chinese Medicine (TCM) prescription, has been widely used for the treatment of irritable bowel syndrome (IBS). However, its potential material basis and underlying mechanism remain elusive. Therefore, this study employed an integrated approach that combined ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) with network pharmacology to systematically characterize the phytochemical components and metabolites of CKF, as well as elucidating its underlying mechanism. Through this comprehensive analysis, a total of 150 components were identified or tentatively characterized within the CKF formula. Notably, six N-acetyldopamine oligomers from CicadaePeriostracum and eight resin glycosides from Cuscutae Semen were characterized in this formula for the first time. Meanwhile, 149 xenobiotics (58 prototypes and 91 metabolites) were detected in plasma, urine, feces, brain, and intestinal contents, and the in vivo metabolic pathways of resin glycosides were elaborated for the first time. Furthermore, network pharmacology and molecular docking analyses revealed that alkaloids, flavonoids, chromones, monoterpenes, N-acetyldopamine dimers, p-hydroxycinnamic acid, and Cus-3/isomer might be responsible for the beneficial effects of CKF in treating IBS, and CASP8, MARK14, PIK3C, PIK3R1, TLR4, and TNF may be its potential targets. These discoveries offer a comprehensive understanding of the potential material basis and clarify the underlying mechanism of the CKF formula in treating IBS, facilitating the broader application of CKF in the field of medicine.

High performance liquid chromatography-tandem mass spectrometry quantification of tryptophan metabolites in human serum and stool - Application to clinical cohorts in Inflammatory Bowel Diseases.

Tryptophan, an essential amino acid, and its metabolites are involved in many physiological processes including neuronal functions, immune system, and gut homeostasis. Alterations to tryptophan metabolism are associated with various pathologies such as neurologic, psychiatric disorders, inflammatory bowel diseases (IBD), metabolic disorders, and cancer. It is consequently critical to develop a reliable, quantitative method for the analysis of tryptophan and its downstream metabolites from the kynurenine, serotonin, and indoles pathways. An LC-MS/MS method was designed for the analysis of tryptophan and 20 of its metabolites, without derivatization and performed in a single run. This method was validated for both serum and stool. The comparisons between serum and plasma, collected with several differing anticoagulants, showed significant differences only for serotonin. References values were established in sera and stools from healthy donors. For stool samples, as a proof of concept, the developed method was applied to a healthy control group and an IBD patient group. Results showed significant differences in the concentrations of tryptophan, xanthurenic acid, kynurenic acid, indole-3-lactic acid, and picolinic acid. This method allowed an extensive analysis of the three tryptophan metabolic pathways in two compartments. Beyond the application to IBD patients, the clinical use of this method is wide-ranging and may be applied to other pathological conditions involving tryptophan metabolism, such as neurological, psychiatric, or auto-inflammatory pathologies.

Bioactive Compounds of Ganoderma boninense Inhibited Methicillin-Resistant Staphylococcus aureus Growth by Affecting Their Cell Membrane Permeability and Integrity.

Some species of Ganoderma, such as G. lucidum, are well-known as traditional Chinese medicine (TCM), and their pharmacological value was scientifically proven in modern days. However, G. boninense is recognized as an oil palm pathogen, and its biological activity is scarcely reported. Hence, this study aimed to investigate the antibacterial properties of G. boninense fruiting bodies, which formed by condensed mycelial, produced numerous and complex profiles of natural compounds. Extract was cleaned up with normal-phase SPE and its metabolites were analyzed using liquid chromatography-mass spectrometry (LCMS). From the disc diffusion and broth microdilution assays, strong susceptibility was observed in methicillin-resistant Staphylococcus aureus (MRSA) in elute fraction with zone inhibition of 41.08 ± 0.04 mm and MIC value of 0.078 mg mL-1. A total of 23 peaks were detected using MS, which were putatively identified based on their mass-to-charge ratio (m/z), and eight compounds, which include aristolochic acid, aminoimidazole ribotide, lysine sulfonamide 11v, carbocyclic puromycin, fenbendazole, acetylcaranine, tigecycline, and tamoxifen, were reported in earlier literature for their antimicrobial activity. Morphological observation via scanning electron microscope (SEM), cell membrane permeability, and integrity assessment suggest G. boninense extract induces irreversible damage to the cell membrane of MRSA, thus causing cellular lysis and death.

Soil bacteria, genes, and metabolites stimulated during sulfur cycling and cadmium mobilization under sodium sulfate stress.

Sodium sulfate stress is known to improve cadmium (Cd) mobilization in soil and microbial sulfur oxidation, Cd resistance, and the accumulation of stress tolerance-associated metabolites has been correlated with increased soil Cd availability and toxicity. In this study, aerobic soil microcosms with Cd-contamination were stimulated with sodium sulfate to investigate its effects on soil microbial community structure, functional genes, and associated metabolite profiles. Metagenomic analysis revealed that sulfur oxidizing and Cd-resistant bacteria carried gene clusters encoding sox, dsr, and sqr genes, and znt, czc, and cad genes, respectively. Exposure to sodium sulfate resulted in the reprogram of soil metabolites. In particular, intensification of sulfur metabolism triggered an up-regulation in the tricarboxylic acid (TCA) cycle, which promoted the secretion of carboxylic acids and their precursors by soil bacteria. The accumulation of organic acids induced in response to high sodium sulfate dosages potentially drove an observed increase in Cd mobility. Pseudomonas and Erythrobacter spp. exhibited a high capacity for adaptation to heavy metal- or sulfur-induced stress, evident by an increased abundance of genes and metabolites for sulfur cycling and Cd resistance. These results provide valuable insights towards understanding the microbial mechanisms of sulfur transformation and Cd dissolution under saline stress.

An assessment of growth, floral morphology, and metabolites of a medicinal plant Sida cordifolia L. under the influence of elevated ozone.

Tropospheric ozone (O3) is a major secondary air pollutant and greenhouse gas, and its impact on growth, yield, and its quality is well established in the case of crop plants. However, the effects of tropospheric O3 have not been comprehensively studied on medicinal plants. Therefore, a field study was planned on a medicinally important Sida cordifolia L. plant (commonly known as country mallow or Bala) to assess the expected changes on the morphology, growth, and leaf injury under elevated O3 (ambient + 20 ppb) by using open-top chambers (OTCs) at 30, 60, and 90 days after treatment (DAT), while leaf and root metabolites were observed at 60 DAT. At all the growth stages, significant leaf damage was recorded as foliar injury symptoms. Most of the growth parameters also showed significant reductions at all the growth stages. Plants under elevated O3 showed a significant negative impact on most of the reproductive parts of the plant. Leaf weight ratio (LWR) showed significant increment at early stages while reduced at 90 DAT; however, root shoot ratio (RSR) showed a significant reduction at 60 DAT. The majority of the steroid metabolites showed an increase in root and leaves under elevated O3, while terpenes showed variable response. Due to O3 stress, most of the major metabolites showed an increase possibly due to their role in defense and other metabolic activities. Based on the outcomes, it is concluded that the future increase in the levels of tropospheric O3 will impact a significant effect on important metabolites of medicinal plants growing in tropical countries like India.

Environmentally Relevant-Level CeO2 NP with Ferrous Amendment Alters Soil Bacterial Community Compositions and Metabolite Profiles in Rice-Planted Soils.

The environmental risks and benefits associated with the introduction of CeO2 nanoparticle (NP) in agricultural soil must be carefully assessed. The ferrous ion is rich in rhizosphere soil of rice due to the reduction states underground. The aim of this study was to investigate the effects of environmentally relevant-level CeO2 NP (25 mg·kg-1) in the absence or presence of ferrous (30 mg·kg-1) amendment on soil bacterial communities and soil metabolomics in rice-planted soil over 150 days. Results showed that CeO2 NP exposure changed soil bacterial community compositions and soil metabolomics, and the above changes were further shifted with the ferrous amendment. Several functionally significant bacterial phyla containing Proteobacteria and Bacteroidetes abundances, which were associated with carbon and nitrogen cycling, were promoted after CeO2 NP exposure with ferrous amendment. However, CeO2 NP inhibited plant-growth-promoting rhizobacteria containing genera Bacillus and Arthrobacter irrespective of the presence or absence of ferrous. Among rhizosphere soil enzyme activities, cellulose activity was the most sensitive for CeO2 NP exposure. NP decreased Firmicutes and increased Chloroflexi, Rokubacteria, and Thaumarchaeota abundances at the phylum level, which contributed to reduce soil cellulose activity. Additionally, CeO2 NP positively or negatively affected soil pH, Ce accumulation in root, and rice physiological properties (root-POD, stem-POD). As a result, the above factors were related to the changes of Chloroflexi, Gemmatimonadetes, Rokubacteria, Thaumarchaeota, and Nitrospirae at the phylum level. After adding CeO2 NP with ferrous or not, the main metabolic changes were concentrated on fluctuations in starch and sucrose metabolism, nitrogen metabolism, sulfur metabolism, propanoate metabolism, fatty acid metabolism, and urea cycle. The eight changed metabolites containing glycerol monstearate, boric acid, monopalmitin, palmitic acid, alkane, ethanol, dicarboximide, and stearic acid accounted for the separation of different treatments with CeO2 NP exposure. Activities of soil enzymes (urease, invertase, and cellulose), pH, and soil organic matter affected dominant metabolites containing fatty acids, inorganic acid, and sugar. Network analysis showed that the influence of soil bacterial community on metabolites varied with metabolites and bacteria species. The presence of CeO2 NP mainly promoted fatty acids (hexanoic acid, nonanoic acid) and amino acid (oxoproline) and amine (diethanolamine) concentrations, which could be from the increased Proteobacteria abundance after CeO2 NP exposure. Phylum Proteobacteria had the most genus species containing 13 genera affecting soil metabolite profiles. These results provide valuable information for understanding the impact of environmentally relevant-level CeO2 NP exposure on soil microbial communities and metabolites with or without ferrous, which is needed to understand the ecological risk posed by long-term CeO2 NP exposure in rice-planted soil with rich ferrous.

Metabolites profile of Gualou Xiebai Baijiu decoction (a classical traditional Chinese medicine prescription) in rats by ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry.

Gualou Xiebai Baijiu decoction (GLXB), a well-known classic traditional Chinese medicine prescription, has been widely used to treat coronary heart diseases for thousands of years in Eastern Asian countries due to its remarkable clinical effect. However, due to lack of in vivo metabolism research, the chemical components responsible for the therapeutic effects still remain unclear. In this work, a reliable "representative structure based homologous xenobiotics identification" (RSBHXI) strategy based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF-MS) were applied to investigate the chemical components in GLXB extracts. As a result, 133 chemical components were characterized based on summarized fragmentation patterns, of which 41 components were confirmed unambiguously with authentic standards. Furthermore, a total of 138 GLXB-related xenobiotics were identified or tentatively characterized after oral administration of GLXB extracts. Moreover, to better understand the metabolic pathways of characteristic components in GLXB, metabolites profiles of five steroidal saponins and two flavonoids were performed, respectively. Since the metabolic pathways of five representative saponins had been finished in our previous study, we focused on the in vivo metabolism of two flavonoids. A total of 36 and 20 metabolites were detected in rat biological samples after oral administration of luteolin-7-O-ß-D-glucopyranoside and rutin, respectively. The results indicated that dehydration, hydrolysis, hydroxylation, methylation, glucuronidation and sulfation were the main metabolic reactions, following the metabolic soft spots of GLXB-related flavonoids. Taken altogether, this study would be helpful for the further pharmacokinetics, pharmacological evaluation and quality control of GLXB.

Metabolic profiling of corylin in vivo and in vitro.

Corylin, an phenolic compound from Psoralea corylifolia, has been reported with various pharmacological properties but has poor bioavailability due to massive metabolism. In this study, twelve metabolites of corylin mainly involving in oxidation, hydration, glucuronidation and sulfation were detected in mice. Furthermore, the oxidation and hydration of corylin (M4) in human liver microsomes (HLM) and human intestine microsomes (HIM) were both efficient with high CLint (intrinsic clearance) values of 24.29 and 42.85 µL/min/mg, respectively. CYP1A1, 1B1 and 2C19 contributed most for M4 with the CLint values of 26.63, 33.09 and 132.41 µL/min/mg, respectively. Besides, M4 was strongly correlated with phenacetin-N-deacetylation (r = 0.885, p = 0.0001) and tolbutamide-4-oxidation (r = 0.727, p = 0.001) in twelve individual HLMs, respectively. In addition, corylin was efficiently glucuronidated (M7) in HLM (125.33 µL/min/mg) and in HIM (108.74 µL/min/mg). UGT1A1 contributed the most for M7 with the CLint value of 122.32 µL/min/mg. Meanwhile, M7 was significantly correlated with ß-estradiol-3-O-glucuronidation (r = 0.742, p = 0.006) in twelve individual HLMs. Moreover, the metabolism of corylin showed marked species differences. Taken together, corylin was subjected to massive first-pass metabolism in liver and intestine, while CYP1A1, 1B1, 2C19 and UGT1A1 were the main contributors. Finally, the proposed metabolic pathway of corylin involed CYP and UGT isoforms were summarized, which could help to understand the metabolic fate of corylin in vivo.

Comparative Metabolic Response between Cucumber ( Cucumis sativus) and Corn ( Zea mays) to a Cu(OH)2 Nanopesticide.

Due to their unique properties, copper-based nanopesticides are emerging in the market. Thus, understanding their effect on crop plants is very important. Metabolomics can capture a snapshot of cellular metabolic responses to a stressor. We selected maize and cucumber as model plants for exposure to different doses of Cu(OH)2 nanopesticide. GC-TOF-MS-based metabolomics was employed to determine the metabolic responses of these two species. Results revealed significant differences in metabolite profile changes between maize and cucumber. Furthermore, the Cu(OH)2 nanopesticide induced metabolic reprogramming in both species, but in different manners. In maize, several intermediate metabolites of the glycolysis pathway and tricarboxylic acid cycle (TCA) were up-regulated, indicating the energy metabolism was activated. In addition, the levels of aromatic compounds (4-hydroxycinnamic acid and 1,2,4-benzenetriol) and their precursors (phenylalanine, tyrosine) were enhanced, indicating the activation of shikimate-phenylpropanoid biosynthesis in maize leaves, which is an antioxidant defense-related pathway. In cucumber, arginine and proline metabolic pathways were the most significantly altered pathway. Both species exhibited altered levels of fatty acids and polysaccharides, suggesting the cell membrane and cell wall composition may change in response to Cu(OH)2 nanopesticide. Thus, metabolomics helps to deeply understand the differential response of these plants to the same nanopesticide stressor.

Effect of pomegranate based marinades on the microbiological, chemical and sensory quality of chicken meat: A metabolomics approach.

Pomegranate juice is a product with enhanced functional properties that could be used as an alternative to traditional marination ingredients and effectively retard microbial growth along with providing an improved sensory result. In this study, two pomegranate based marinades were prepared for the marination of chicken breast fillets and the marinated samples were aerobically stored at 4 and 10°C for 9days. Raw, non-marinated chicken samples were used as control. Levels of total viable counts (TVC), Pseudomonas spp., Brochothrix thermosphacta, Enterobacteriaceae and lactic acid bacteria (LAB) were determined together with sensory assessment to evaluate the evolution of spoilage. The profile of organic acids and volatile compounds was also analyzed during storage. The shelf life of marinated samples was significantly extended compared to control samples at both storage temperatures (e.g., up to 5 and 6days for the pomegranate/lemon marinated samples stored at 4 and 10°C, respectively) as evaluated by both microbiological and sensory analyses. The profile of the organic acids and the volatilome of marinated and control samples were remarkably differentiated according to storage time, microbial load and sensory score. The findings of this study suggest that pomegranate juice could be used as a novel ingredient in marinades to improve the sensory attributes, while prolonging the shelf life of chicken meat.

Characterization of small-spored Alternaria from Argentinean crops through a polyphasic approach.

Small-spored Alternaria have been isolated from a wide variety of food crops, causing both economic losses and human health risk due to the metabolites produced. Their taxonomy has been discussed widely, but no scientific consensus has been established in this field to date. Argentina is a major exporter of agricultural products, so it is essential to thoroughly understand the physiological behaviour of this pathogen in a food safety context. Thus, the objective of this work was to characterize small-spored Alternaria spp. obtained from tomato fruits, pepper fruits, wheat grains and blueberries from Argentina by a polyphasic approach involving metabolomic and phylogenetic analyses based on molecular and morphological characters. Morphological analysis divided the population studied into three groups; A. arborescens sp.-grp., A. tenuissima sp.-grp., and A. alternata sp.-grp. However, when these characters were simultaneously analysed with molecular data, no clearly separated groups were obtained. Haplotype network and phylogenetic analysis (both Bayesian and maximum parsimony) of a conserved region yielded the same result, suggesting that all isolates belong to the same species. Furthermore, no correlation could be established between morphological species-groups and a metabolite or group of metabolites synthesized. Thus, the whole set of analyses carried out in the present work supports the hypothesis that these small-spored Alternaria isolates from food belong to the same species. Identification at species level through classical morphology or modern molecular techniques does not seem to be a useful tool to predict toxicological risk in food matrices. The detection of any small-spored Alternaria from Section Alternaria (D.P. Lawr., Gannibal, Peever & B.M. Pryor 2013) in food implies a potential toxicological risk.

Absorption, distribution, metabolism, and excretion of [14 C]sesamin in rats.

SCOPE: Sesamin is a major lignan in sesame seeds and has various physiological effects. Although metabolism of sesamin by cytochrome P450 or intestinal microflora has been reported, little is known concerning the mass balance, pharmacokinetics, and tissue distribution of sesamin. METHODS AND RESULTS: Absorption, distribution, metabolism, and excretion of [14 C]sesamin were investigated after a single oral dose of 5 mg/kg in rats. Sesamin was absorbed with peak plasma radioactivity at 1.0 h and declined with a terminal half-life 4.7 h. The cumulative excretion of radioactivity was 37.5 ± 3.1% in urine and 58.7 ± 4.8% in feces. In bile duct-cannulated rats, the cumulative excretion of radioactivity was 66.3 ± 8.4% in bile and 27.8 ± 10.2% in urine. Tissue distribution was investigated using quantitative whole-body autoradiography. Radioactivity was widely distributed over the whole body and was highly detected in the liver and kidney. The metabolites profile was examined using radiochromatography. Sesamin was mainly distributed in the form of conjugate metabolites. CONCLUSIONS: Sesamin was absorbed efficiently and distributed over the whole body. In particular, sesamin was highly distributed in the form of the metabolites in the liver and kidney. The results of this study are useful in elucidating the action mechanism of sesamin.

Metabolites profile of Xian-Ling-Gu-Bao capsule, a traditional Chinese medicine prescription, in rats by ultra performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry analysis.

Xian-Ling-Gu-Bao capsule (XLGB), a well-known traditional Chinese medicine prescription (TCMP), is widely used for the treatment of osteoporosis. However, due to lack of metabolism research, the effective material of XLGB is still unknown. It entails a huge obstacle for the clinical-safe medication administration and quality control of XLGB. To explore the metabolic fate of multiple components of XLGB, herein, we proposed a "representative structure based homologous xenobiotics identification" (RSBHXI) strategy based on ultra performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF-MS) and mass defect filter (MDF) technique. A total of 147 XLGB-related xenobiotics were identified or tentatively characterized in rat biofluids after oral administration of XLGB, including 134 (57 prototype components and 77 metabolites) in plasma, 93 (37 prototype components and 56 metabolites) in urine and 118 (46 prototype components and 72 metabolites) in bile. Our results indicated that prenylated flavonol glycosides from Herba epimedii, prenylated flavonoids from Fructus psoraleae, saponins from Radix dipsaci and Rhizoma anemarrahenae, as well as tanshinones from Radix Salviae Miltiorrhizae were major absorbed chemical components of XLGB. Hydrolysis, glucuronidation and sulfation were major metabolic reactions of XLGB. As more xenobiotics were detected in bile than those in urine, it demonstrated that multiple components of XLGB underwent comprehensive hepatobiliary excretion. The present study expands our knowledge about the metabolism of XLGB which will be conducive to revealing its in vivo pharmacological material basis. In addition, the application of RSBHXI strategy provides a new approach for metabolite identification of TCMPs and other complex mixture.

Inoculation of the nonlegume Capsicum annuum (L.) with Rhizobium strains. 1. Effect on bioactive compounds, antioxidant activity, and fruit ripeness.

Pepper (Capsicum annuum L.) is an economically important agricultural crop and an excellent dietary source of natural colors and antioxidant compounds. The levels of these compounds can vary according to agricultural practices, like inoculation with plant growth-promoting rhizobacteria. In this work we evaluated for the first time the effect of the inoculation of two Rhizobium strains on C. annuum metabolites and bioactivity. The results revealed a decrease of organic acids and no effect on phenolics and capsaicinoids of leaves from inoculated plants. In the fruits from inoculated plants organic acids and phenolic compounds decreased, showing that fruits from inoculated plants present a higher ripeness stage than those from uninoculated ones. In general, the inoculation with Rhizobium did not improve the antioxidant activity of pepper fruits and leaves. Considering the positive effect on fruit ripening, the inoculation of C. annuum with Rhizobium is a beneficious agricultural practice for this nonlegume.