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Bidens pilosa L. (fam. Asteraceae) is an annual herb used globally in phytotherapy and each plant material or the whole plant have been declared to be effective. Therefore, the aim of the present study was to conduct metabolomic profiling of different plant materials, including the quali-quantitative composition of phenolic compounds. The intrinsic scavenging/reducing properties and antimicrobial effects of the extracts were assayed against numerous bacterial, Candida and dermatophytes species, whereas docking runs were conducted for tentatively unravelling the mechanism of action underlying antimicrobial effects. Oligosaccharide, disaccharide and fatty acids were present at higher concentrations in root rather than in the other plant parts. Monoglycerides were more abundant in stem than in the other plant parts, whereas peptide and diterpenoid were prominent in leaf and root, respectively. By contrast, amino acids showed very different distribution patterns in the four plant parts. Regarding the phenolic composition, appreciable levels of caftaric acid were found in most of the analyzed methanol extracts, that were also particularly efficacious as antiradical and anti-mycotic agents against C. albicans and dermatophytes. The docking experiments also showed a micromolar affinity of caftaric acid towards the lanosterol 14α-demethylase, deeply involved in fungal metabolism. In conclusion, the present study corroborates the B. pilosa as a phytotherapy remedy against infectious disease.

Made available in DSpace on 2022-04-28T19:29:57Z (GMT). No. of bitstreams: 0 Previous issue date: 2021-05-01 Exploitation of tuff deposits represents an intensive and destructive human activity that can completely modify natural soils, sometimes leading to their total disappearance. Soil reclamation of quarry areas can usually be done by soil rebuilding, employing complex and expensive techniques. In this research, we aimed to evaluate reconstructed Technosols and associated vegetation, called pedotechnosystem (PTS) and their development and behaviour for tuff quarry reclamation for both environmental rehabilitation and agricultural purposes. Technosols were investigated under three different conditions: i) a control consisting of a constructed Technosol (CT) without additional treatments; ii) CT treated with conventional mineral fertilization (CTCF); and, iii) CT treated with a composted mix of commercial organic amendments (CTOA). Different open-air mesocosms (pots) were investigated and evaluated in terms of: i) development, production, and metabolomic profile of rosemary (Rosmarinus officinalis L.), olive (Olea europaea L.), and grapevine (Vitis Vinifera L. ssp. Sativa) in a mixture with a pasture species: ii) the Technosols physical-chemical responses. Specifically, after 15 months, all investigated PTS were evaluated in terms of: i) pasture species total dry matter (TDM) production, height (H), stem diameter (D) and nitrogen (N), phosphorus (P), and potassium (K) content of dry matter; ii) physical-chemical analyses of all investigated substrates; iii) olive, grape, and rosemary characterization by analysing N, P, and K content in dry leaves as well as their metabolomic profile. Statistical differences among treatments were ascertained through ANOVA, while observed variability was interpreted using a principal factor analysis (PFA). Use of CTOA resulted in statistically (p < 0.05) higher performances in terms of TDM as well as P contents in harvested pasture species. In CTOA, more favourable pH conditions (near neutral) for plant growth were observed; additionally, such PTS showed the best performances in terms of soil organic matter (SOM), total N, and P as well as an improvement for most of the investigated organic fractions and relative humification indexes. Identified metabolites varied greatly by species, underscoring the capability of metabolites in fingerprinting different species and related responses to environmental stress factors. Results from PFA showed that: i) CTOA produced better growing conditions and agronomic performance among all investigated PTS; ii) metabolomic profiles are a reliable fingerprint for investigating plant responses to environmental stress and can help differentiate behaviour that follows. Overall, the research demonstrated that CTOA represents a low-cost easily applicable technique for soil rebuilding in tuff quarry areas. Dipartimento di Scienze e Tecnologie Ambientali Biologiche e Farmaceutiche Università degli Studi della Campania “Luigi Vanvitelli”, Via Vivaldi n° 43 Dipartimento di Architettura e Disegno Industriale Università degli Studi della Campania “Luigi Vanvitelli” Abazia di San Lorenzo, via San Lorenzo Istituto di Ricerca sulle Acque Consiglio Nazionale delle Ricerche (IRSA-CNR), V.le F. de Blasio, 5 Department of Plant Protection Rural Engineering and Soils São Paulo State University, Av. Brazil Sul n◦ 56 Center of Nuclear Energy in Agriculture Universidade de São Paulo, Av. Centenário n◦ 303 USDA-NRCS Ecological Sciences Division Dipartimento di Architettura Design e Urbanistica Università Degli Studi di Sassari, Via Piandanna No 4 Desertification Research Centre Università Degli Studi di Sassari, Viale Italia No 39 Department of Plant Protection Rural Engineering and Soils São Paulo State University, Av. Brazil Sul n◦ 56

Myotonic dystrophy type 1 (DM1) is a hereditary disease characterized by progressive distal muscle weakness and myotonia. Patients with DM1 have abnormal lipid metabolism and a high propensity to develop a metabolic syndrome in comparison to the general population. It follows that metabolome evaluation in these patients is crucial and may contribute to a better characterization and discrimination between DM1 disease phenotypes and severities. Several experimental approaches are possible to carry out such an analysis, among them is Fourier-transform infrared spectroscopy (FTIR) which evaluates metabolic profiles by categorizing samples through their biochemical composition. In this study, FTIR spectra were acquired and analyzed using multivariate analysis (Principal Component Analysis) using skin DM1 patient-derived fibroblasts and controls. The results obtained showed a clear discrimination between both DM1-derived fibroblasts with different CTG repeat length and with the age of disease onset, this was evident given the distinct metabolic profiles obtained for the two groups. Discrimination could be attributed mainly to the altered lipid metabolism and proteins in the 1800–1500 cm−1 region. These results suggest that FTIR spectroscopy is a valuable tool to discriminate both DM1-derived fibroblasts with different CTG length and age of onset and to study the metabolomic profile of patients with DM1.

In the present work, an untargeted metabolomic approach based on ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC–HRMS) was performed for the discrimination of 25 accessions of white quinoa from main production zones of Peru. From the fingerprint analysis, a total of eighty-four metabolites were tentatively identified based on their accurate mass measurements and MS/MS data. Among them, forty-six compounds are reported here for the first time in C. quinoa (eight phenolics, one ecdysteroid, and thirty-seven saponins), twenty-four of them would correspond to new structures. Principal component analysis (PCA) and orthogonal partial least square discriminant analysis (OPLS-DA) were used to analyze the metabolomic data. As a result, the samples were distributed into two groups. The compounds contributing to the differences between these groups were identified by S-plot analysis.

Convalescent plasma (CP) has emerged as a treatment for COVID-19. However, the composition and mechanism of action are not fully known. Therefore, we undertook a two-phase controlled study in which, first the immunological and metabolomic status of recovered and severe patients were evaluated. Secondly, the 28-day effect of CP on the immune response in severe patients was assessed. Nineteen recovered COVID-19 patients, 18 hospitalized patients with severe disease, and 16 pre-pandemic controls were included. Patients with severe disease were treated with CP transfusion and standard therapy (i.e., plasma recipients, n = 9) or standard therapy alone (n = 9). Clinical and biological assessments were done on day 0 and during follow-up on days 4, 7, 14, and 28. Clinical parameters, viral load, total immunoglobulin (Ig) G and IgA anti-S1-SARS-CoV-2 antibodies, neutralizing antibodies (NAbs), autoantibodies, cytokines, T and B cells, and metabolomic and lipidomic profiles were examined. Total IgG and IgA anti-S1-SARS-CoV-2 antibodies were key factors for CP selection and correlated with NAbs. In severe COVID-19 patients, mostly interleukin (IL)-6 (P =, Highlights • Serum from recovered patients discloses a different composition than that from patients with severe disease. • Latent autoimmunity and anti–IFN–α antibodies are observed in COVID-19. • COVID-19 CP induces an early but transient effect on antibody and cytokine profile of patients with severe disease . • CP decreases activated and effector T cells, and increases memory immune cells. • CP reduces the IL-6/IFN-γ and IL-6/IL-10 ratios.

The present study aimed to investigate the serum metabolomic profiles in genetically modified cows carrying and expressing human lactalbumin α (LALBA) and non‑LALBA cows, and identify altered metabolic characteristics following the genetic modification. Serum biochemistry indexes were measured according to protocols recommended by International Federation of Clinical Chemistry. The metabolomic profiles were determined using the serum samples collected from LALBA (n=6) and non‑LALBA cows (n=6). Welch's two‑sample t‑test was used to identify the metabolites that significantly differed between the LALBA and non‑LALBA groups (fold‑change ≠ 1 and P

Yeasts interface insect herbivores with their food plants. Communication depends on volatile metabolites, and decoding this chemical dialogue is key to understanding the ecology of insect-yeast interactions. This study explores the volatomes of eight yeast species which have been isolated from foliage, from flowers or fruit, and from plant-feeding insects. These yeasts each release a rich bouquet of volatile metabolites, including a suite of known insect attractants from plant and floral scent. This overlap underlines the phylogenetic dimension of insect-yeast associations, which according to the fossil record long predate the appearance of flowering plants. Volatome composition is characteristic for each species, aligns with yeast taxonomy, and is further reflected by a differential behavioral response of cotton leafworm larvae, which naturally feed on foliage of a wide spectrum of broad-leaved plants. Larval discrimination may establish and maintain associations with yeasts and is also a substrate for designing sustainable insect management techniques., Yeasts form mutualistic interactions with insects. Hallmarks of this interaction include provision of essential nutrients, while insects facilitate yeast dispersal and growth on plant substrates. A phylogenetically ancient chemical dialogue coordinates this interaction, where the vocabulary, the volatile chemicals that mediate the insect response, remains largely unknown. Here, we used gas chromatography-mass spectrometry, followed by hierarchical cluster and orthogonal partial least-squares discriminant analyses, to profile the volatomes of six Metschnikowia spp., Cryptococcus nemorosus, and brewer’s yeast (Saccharomyces cerevisiae). The yeasts, which are all found in association with insects feeding on foliage or fruit, emit characteristic, species-specific volatile blends that reflect the phylogenetic context. Species specificity of these volatome profiles aligned with differential feeding of cotton leafworm (Spodoptera littoralis) larvae on these yeasts. Bioactivity correlates with yeast ecology; phylloplane species elicited a stronger response than fruit yeasts, and larval discrimination may provide a mechanism for establishment of insect-yeast associations. The yeast volatomes contained a suite of insect attractants known from plant and especially floral headspace, including (Z)-hexenyl acetate, ethyl (2E,4Z)-deca-2,4-dienoate (pear ester), (3E)-4,8-dimethylnona-1,3,7-triene (DMNT), linalool, α-terpineol, β-myrcene, or (E,E)-α-farnesene. A wide overlap of yeast and plant volatiles, notably floral scents, further emphasizes the prominent role of yeasts in plant-microbe-insect relationships, including pollination. The knowledge of insect-yeast interactions can be readily brought to practical application, as live yeasts or yeast metabolites mediating insect attraction provide an ample toolbox for the development of sustainable insect management. IMPORTANCE Yeasts interface insect herbivores with their food plants. Communication depends on volatile metabolites, and decoding this chemical dialogue is key to understanding the ecology of insect-yeast interactions. This study explores the volatomes of eight yeast species which have been isolated from foliage, from flowers or fruit, and from plant-feeding insects. These yeasts each release a rich bouquet of volatile metabolites, including a suite of known insect attractants from plant and floral scent. This overlap underlines the phylogenetic dimension of insect-yeast associations, which according to the fossil record long predate the appearance of flowering plants. Volatome composition is characteristic for each species, aligns with yeast taxonomy, and is further reflected by a differential behavioral response of cotton leafworm larvae, which naturally feed on foliage of a wide spectrum of broad-leaved plants. Larval discrimination may establish and maintain associations with yeasts and is also a substrate for designing sustainable insect management techniques.

[Background] Approximately 25% of elite controllers (ECs) lose their virological control by mechanisms that are only partially known. Recently, immunovirological and proteomic factors have been associated to the loss of spontaneous control. Our aim was to perform a metabolomic approach to identify the underlying mechanistic pathways and potential biomarkers associated with this loss of control., [Methods] Plasma samples from EC who spontaneously lost virological control (Transient Controllers, TC, n = 8), at two and one year before the loss of control, were compared with a control group of EC who persistently maintained virological control during the same follow-up period (Persistent Controllers, PC, n = 8). The determination of metabolites and plasma lipids was performed by GC-qTOF and LC-qTOF using targeted and untargeted approaches. Metabolite levels were associated with the polyfunctionality of HIV-specific CD8+T-cell response., [Findings] Our data suggest that, before the loss of control, TCs showed a specific circulating metabolomic profile characterized by aerobic glycolytic metabolism, deregulated mitochondrial function, oxidative stress and increased immunological activation. In addition, CD8+ T-cell polyfunctionality was strongly associated with metabolite levels. Finally, valine was the main differentiating factor between TCs and PCs., [Interpretation] All these metabolomic differences should be considered not only as potential biomarkers but also as therapeutic targets in HIV infection., This work was supported by grants from Fondo de Investigación Sanitaria, Instituto de Salud Carlos III, Fondos FEDER; Red de Investigación en Sida, Gilead Fellowship program, Spanish Ministry of Education and Spanish Ministry of Economy and Competitiveness.

[EN] Rosemary, a native Mediterranean plant is a well-known source of phytochemicals with antioxidant activity attributed mainly to diterpenoids and flavonoids. The aim of the study was to establish an accurate evaluation of the rosemary metabolite profiles from several accessions under changing environmental conditions (water stress and soil salinity) comparing two sampling seasons (summer vs. spring) from four different habitats in Eastern Spain. The methodology was based on the identification and the quantitative evaluation of phytochemicals (phenolic acid derivatives, flavonoids, diterpenes and triterpenes) by HPLC coupled with diode-array detection and electrospray ionization mass spectrometry (ESI+-MS). Phytochemical profiles were statistically compared by factorial ANOVA, cluster analysis, principal component analysis and univariate analysis (Pearson correlations), that allowed the discrimination between the extract composition in correlation to their hábitat and stress conditions. Out of twenty-three compounds identified, the major ones were represented by diterpenoids (carnosic acid, carnosol and oxidized metabolites rosmanol, epirosmanol, rosmadial, rosmanol methyl ether) and flavonoids, which showed significant metabolic regulation induced by wáter stress. The main conclusion of the work is that the diterpene derivatives and their oxidized metabolites may be considered as optimal biomarkers of the environmental stress in Rosmarinus officinalis., We acknowledge the contribution of our collaborators from the Applied Biotechnology Centre BIODIATECH-Proplanta SRL, as well the funding from the Spanish Ministry of Science and Innovation (Project CGL2008- 00438/BOS) and the contribution of European Regional Development Fund

Metabolomics, an essential technique in precision medicine, contributes to the molecular fingerprinting of tumours, further helping to understand their pathogenesis. In this work, using a LC-ESI-QTOF-MS/MS platform, we demonstrated the existence of a specific metabolomic signature which could define endometrioid endometrial carcinoma (EEC), arising the endocannabinoid system as a potential pathway involved in EC pathogenesis. Metabolomics could also shed light in the processes involved in myometrial invasion, proposing new targets for possible therapeutic intervention. Consequently, we also described a different metabolomic profile in surface endometrioid carcinoma and myometrial invasive front. We validated pathways disclosed by metabolomics by immunohistochemistry. Specifically, endocannabinoid and purine metabolism could be involved in tumor myometrial invasion.

Asparagus bean immature pods and seeds are popular as food products for healthy and functional nutrition. Gas chromatography with mass spectrometry was used to compare metabolomic profiles of seeds and pods yielded by old Chinese landraces and the modern cultivars &lsquo, Yunanskaya&rsquo, and &lsquo, Sibirskiy razmer&rsquo, About 120 compounds were identified. The content of a majority among groups of compounds was higher in pods than in seeds. The amount of free amino acids in pods was 47 times higher, polyols and phytosterols 5 times higher, phenolics 4 times higher, and organic acids and saponins 3 times higher than in seeds. Differences were found in the relative content of compounds. Among phenolic compounds, the dominant one for seeds was protocatechuic acid, and for pods 4-hydroxycinnamic acid. Only polyols were identified in seeds, but pods additionally contained ethanolamine, phytol, and phytosphingosine. The ratio for nonsaturated/saturated fatty acids was 2.2 in seeds and 1.4 in pods. Seeds contained more stigmasterol, and pods more &beta, sitosterol. Aglycones of saponins were identified: cycloartenol in seeds, &alpha, and &beta, amyrins in pods. Oligosaccharides dominated in both seeds and pods. Landraces manifested higher protein content in pods, while modern cultivars had pods with higher contents of organic acids, polyols, monosaccharides, and fatty acids. The results obtained confirm the high nutritional value of asparagus bean seeds and pods, and the prospects of their use in various diets.

Untimely rains in wheat fields during harvest season can cause pre-harvest sprouting (PHS), which deteriorates the yield and quality of wheat crop. Metabolic homeostasis of the embryo plays a role in seed dormancy, determining the status of the maturing grains either as dormant (PHS-tolerant) or non-dormant (PHS-susceptible). Very little is known for direct measurements of global metabolites in embryonic tissues of dormant and non-dormant wheat seeds. In this study, physiologically matured and freshly harvested wheat seeds of PHS-tolerant (cv. Sukang, dormant) and PHS-susceptible (cv. Baegjoong, non-dormant) cultivars were water-imbibed, and the isolated embryos were subjected to high-throughput, global non-targeted metabolomic profiling. A careful comparison of identified metabolites between Sukang and Baegjoong embryos at 0 and 48 h after imbibition revealed that several key metabolic pathways [such as: lipids, fatty acids, oxalate, hormones, the raffinose family of oligosaccharides (RFOs), and amino acids] and phytochemicals were differentially regulated between dormant and non-dormant varieties. Most of the membrane lipids were highly reduced in Baegjoong compared to Sukang, which indicates that the cell membrane instability in response to imbibition could also be a key factor in non-dormant wheat varieties for their untimely germination. This study revealed that several key marker metabolites (e.g., RFOs: glucose, fructose, maltose, and verbascose), were highly expressed in Baegjoong after imbibition. Furthermore, the data showed that the key secondary metabolites and phytochemicals (vitexin, chrysoeriol, ferulate, salidroside and gentisic acid), with known antioxidant properties, were comparatively low at basal levels in PHS-susceptible, non-dormant cultivar, Baegjoong. In conclusion, the results of this investigation revealed that after imbibition the metabolic homeostasis of dormant wheat is significantly less affected compared to non-dormant wheat. The inferences from this study combined with proteomic and transcriptomic studies will advance the molecular understanding of the pathways and enzyme regulations during PHS.

Salvia spp. are used throughout the world both for food and pharmaceutical purposes. In this study, a method involving headspace solid-phase microextraction combined with gas chromatography–mass spectrometry was developed, to establish the volatiles profile of dried leaves of four Iranian Salvia spp.: Salvia officinalis L., Salvia leriifolia Benth, Salvia macrosiphon Boiss. and two ecotypes of Salvia reuterana Boiss. A total of 95 volatiles were identified from the dried leaves of the five selected samples. Specifically, α-thujone was the main component of S. officinalis L. and S. macrosiphon Boiss. (34.40 and 17.84%, respectively) dried leaves, S. leriifolia Benth was dominated by β-pinene (27.03%), whereas α-terpinene was the major constituent of the two ecotypes of S. reuterana Boiss. (21.67 and 13.84%, respectively). These results suggested that the proposed method can be considered as a reliable technique for isolating volatiles from aromatic plants, and for plant differentiation based on the volatile metabolomic profile.

Changes in lipid metabolism are an important but not well-characterized hallmark of cancer. On the basis of our recent findings of lipidomic changes in breast cancer, we investigated glycerol-3-phosphate acyltransferase (GPAM), a key enzyme in the lipid biosynthesis of triacylglycerols and phospholipids. GPAM protein expression was evaluated and linked to metabolomic and lipidomic profiles in a cohort of human breast carcinomas. In addition, GPAM mRNA expression was analyzed using the GeneSapiens in silico transcriptiomics database. High cytoplasmic GPAM expression was associated with hormone receptor negative status (p = 0.013). On the protein (p = 0.048) and mRNA (p = 0.001) levels, increased GPAM expression was associated with a better overall survival. Metabolomic analysis by GC-MS showed that sn-glycerol-3-phosphate, the substrate of GPAM, was elevated in breast cancer compared to normal breast tissue. LC-MS based lipidomic analysis identified significantly higher levels of phospholipids, especially phosphatidylcholines in GPAM protein positive tumors. In conclusion, our results suggest that GPAM is expressed in human breast cancer with associated changes in the cellular metabolism, in particular an increased synthesis of phospholipids, the major structural component of cellular membranes.

Submitted by Vitor Silverio Rodrigues (vitorsrodrigues@reitoria.unesp.br) on 2014-05-27T11:21:40Z No. of bitstreams: 0Bitstream added on 2014-05-27T14:28:14Z : No. of bitstreams: 1 2-s2.0-30844453402.pdf: 215201 bytes, checksum: 7f2543eabc1382652315ce9e6a6284c3 (MD5) Made available in DSpace on 2014-05-27T11:21:40Z (GMT). No. of bitstreams: 0 Previous issue date: 2005-11-01 The fragmentation pattern of a homologous series of piperidine alkaloids isolated from S. spectabilis was investigated using electrospray ionization tandem mass spectrometry (ESI-MS/MS). The ESI-MS and ESI-MS/MS analyses of EtOH extracts and fractions from flowers and fruits of S. spectabilis allowed to elucidate the structures of four new compounds. The identification of these co-metabolites, based on the fragmentation patterns of previously isolated compounds, and further confirmed by accurate mass spectrometry defines this technique as a powerful tool to determine the metabolomic profile of species which has pharmacological importance. ©2005 Sociedade Brasileira de Química. Instituto de Química Universidade Estadual Paulista, CP 355, 14801-970 Araraquara - SP Núcleo de Pesquisas em Ciências Exatas e Tecnológicas Universidade de Franca, Av. Dr. A. Salles de Oliveira 201, 14404-600 Franca - SP Departamento de Física e Química Faculdade de Ciências Farmacêuticas Universidade de São Paulo, Via do Café s/n, 14040-903 Ribeirão Preto - SP Seção de Fisiologia e Bioquímica de Plantas Instituto de Botânica, CP 4005, 01061-970 São Paulo - SP Instituto de Química Universidade Estadual Paulista, CP 355, 14801-970 Araraquara - SP

International audience; Because earthworms sustain soil functioning and fertility, there is a need to advance the knowledge of their adaptation potential to chemicals in anthropogenic landscapes. Our hypothesis is that there is acclimation to organic chemicals (pesticides) in earthworms that durably persist under conventional farming in anthropogenic landscapes. The adaptation capability of two populations of earthworms (Aporectodea caliginosa) having a different chemical exposure history, - one originating from 20 years of organic farming (naïve population) and another from 20 years of conventional farming (pre-exposed population) - to cope with soil organic pollutant (Opus®, epoxiconazole a worldwide used fungicide) were investigated. Several complementary metabolic and energetic endpoints were followed, and cast production was assessed as a behavioural biomarker related to earthworms ecological role for the soil. Basal metabolism reflected by respiration rate was increased in both fungicide-exposed worms compared to controls. Glycogen resources were decreased in the same proportion in the two populations but more rapidly for the naïve (7 days) than for the pre-exposed population (28 days). Soluble protein and most amino-acids contents increased in the pre-exposed population only, suggesting a detoxification mechanism. Metabolomic profiles showed a cut-off between fungicide-exposed and control groups in the pre-exposed earthworms only, with an increase in most of the metabolites. Exposure to a low dose of epoxiconazole increased cast production of pre-exposed earthworms, and this resulted in an increase in pesticide disappearance. As far as we know, this is the first study which evidenced there is an acclimation to an agricultural chemical in earthworms derived from conventional farming that also relates to a change in their burrowing behaviour, and for which larger consequences for the soil ecosystem need to be addressed. This original finding is of major interest in the frame of ecosystem resilience to global changes. Whether this physiological adaptation is a general pattern of response against fungicides or other pesticides would need to be confirmed with other molecules and agricultural contexts.