PubMed

Related Articles Synthesis, biochemical, pharmacological characterization and in silico profile modelling of highly potent opioid orvinol and thevinol derivatives. Eur J Med Chem. 2020 Feb 15;191:112145 Authors: Szűcs E, Marton J, Szabó Z, Hosztafi S, Kékesi G, Tuboly G, Bánki L, Horváth G, Szabó PT, Tömböly C, Varga ZK, Benyhe S, Ötvös F Abstract Morphine and its derivatives play inevitably important role in the μ-opioid receptor (MOR) targeted antinociception. A structure-activity relationship study is presented for novel and known orvinol and thevinol derivatives with varying 3-O, 6-O, 17-N and 20-alkyl substitutions starting from agonists, antagonists and partial agonists. In vitro competition binding experiments with [3H]DAMGO showed low subnanomolar affinity to MOR. Generally, 6-O-demethylation increased the affinity toward MOR and decreased the efficacy changing the pharmacological profile in some cases. In vivo tests in osteoarthritis inflammation model showed significant antiallodynic effects of thevinol derivatives while orvinol derivatives did not. The pharmacological character was modelled by computational docking to both active and inactive state models of MOR. Docking energy difference for the two states separates agonists and antagonists well while partial agonists overlapped with them. An interaction pattern of the ligands, involving the interacting receptor atoms, showed more efficient separation of the pharmacological profiles. In rats, thevinol derivatives showed antiallodynic effect in vivo. The orvinol derivatives, except for 6-O-desmethyl-dihydroetorfin (2c), did not show antiallodynic effect. PMID: 32092588 [PubMed - as supplied by publisher]

Related Articles Metabolomic, functional, and ecologic responses of the common freshwater fungus Neonectria lugdunensis to mine drainage stress. Sci Total Environ. 2020 Feb 16;718:137359 Authors: Seena S, Sobral O, Cano A Abstract Metal contamination of watersheds is a global problem. Here, we conducted litter decomposition studies with Neonectria lugdunensis, a cosmopolitan aquatic fungus. Fungal isolates from four reference (non-impacted) and six metal-contaminated streams (due to mine drainage) were exposed to mine drainage and reference stream waters in Central Portugal. Impact of mine drainage waters on N. lugdunensis hyphae was investigated by performing metabolomic profiling of 200 lipids and 25 amino acids (AA) with ultra-high performance liquid chromatography-mass spectrometry. In parallel, functional response of N. lugdunensis isolates was assessed through expression profiles of a functional gene, cellobiohydrolase I (CbhI). Ecological performance via leaf mass loss was also determined. Exposure to mine drainage waters altered the concentration of numerous AA and lipids. Most strikingly, a gradual increase in the concentration of the triacylglycerols (TAG) with shorter acyl chains and lesser unsaturation was observed after the exposure to mine drainage waters. In addition, the changes in the concentration of numerous TAG, lysophosphatidylcholines, and AA were more significant in the isolates from the metal-contaminated streams after exposure to mine drainage water. CbhI gene of the isolates from reference streams was down-regulated by metal stress, while those from metal-contaminated streams remained unaffected. Finally, leaf mass loss was influenced by both exposure to mine drainage waters and the origin of isolates. Overall, our study demonstrates unique functional signatures displayed by fungi under metal stress and the relevant role that fungal AA and lipids play to cope with metal toxicity. PMID: 32092520 [PubMed - as supplied by publisher]

Related Articles High-Throughput Screening for Engineered Nanoparticles That Enhance Photosynthesis Using Mesophyll Protoplasts. J Agric Food Chem. 2020 Feb 24;: Authors: Wang A, Jin Q, Xu X, Miao AJ, White JC, Gardea-Torresdey JL, Ji R, Zhao L Abstract Certain engineered nanoparticles (NPs) have unique properties that have exhibited significant potential for promoting photosynthesis and enhancing crop productivity. Understanding the fundamental interactions between NPs and plants is crucial for the sustainable development of nano-enabled agriculture. Leaf mesophyll protoplasts, which maintain similar physiological response and cellular activity as intact plants, were selected as model system to study the impact of NPs on photosynthesis. The mesophyll protoplasts isolated from spinach were cultivated with different NMs (Fe, Mn3O4, SiO2, Ag, and MoS2) dosing at 50 mg/L for 2 hours under illumination. The potential maximum quantum yield and adenosine triphosphate (ATP) production of mesophyll protoplasts were significantly increased by Mn3O4 and Fe NPs (23% and 43%, respectively), and were decreased by Ag and MoS2 NPs. The mechanism for the photosynthetic enhancement by Mn3O4 and Fe is to increase the photocurrent and electron transfer rate, as revealed by photoelectrochemical measurement. GC-MS based single cell type metabolomics reveal that NPs (Fe and MoS2) altered the metabolic profiles of mesophyll cells during 2 hours of illumination period. Separately, the effect of NPs exposure on photosynthesis and biomass were also conducted at the whole plant level. A strong correlation was observed with protoplast data; plant biomass was significantly increased by Mn3O4 exposure (57%) but was decreased (24%) by treatment of Ag NPs. The use of mesophyll protoplasts can be a fast and reliable tool for screening NPs to enhance photosynthesis for potential nanofertilizer use. Importantly, inclusion of a metabolic analysis can provide mechanistic toxicity data to ensure the development "safer-by-design" nano-enabled platforms. PMID: 32091884 [PubMed - as supplied by publisher]

Related Articles Transcriptomic and metabolomic profiling of long-lived growth hormone releasing hormone knock-out mice: evidence for altered mitochondrial function and amino acid metabolism. Aging (Albany NY). 2020 Feb 23;12: Authors: Hoffman JM, Poonawalla A, Icyuz M, Swindell WR, Wilson L, Barnes S, Sun LY Abstract Numerous genetic manipulations that extend lifespan in mice have been discovered over the past two decades, the most robust of which has arguably been the down regulation of growth hormone (GH) signaling. However, while decreased GH signaling has been associated with improved health and lifespan, many of the underlying physiological changes and molecular mechanisms associated with GH signaling have yet to be elucidated. To this end, we have completed the first transcriptomic and metabolomic study on long-lived growth hormone releasing hormone knockout (GHRH-KO) and wild-type mice in brown adipose tissue (transcriptomics) and blood serum (metabolomics). We find that GHRH-KO mice have increased transcript levels of mitochondrial and amino acid genes with decreased levels of extracellular matrix genes. Concurrently, mitochondrial metabolites are differentially regulated in GHRH-KO. Furthermore, we find a strong signal of genotype-by-sex interactions, suggesting the sexes have differing physiological responses to GH deficiency. Overall, our results point towards a strong influence of mitochondrial metabolism in GHRH-KO mice which potentially is tightly intertwined with their extended lifespan phenotype. PMID: 32091406 [PubMed - as supplied by publisher]

Related Articles Identification to species level of live single microalgal cells from plankton samples with matrix-free laser/desorption ionization mass spectrometry. Metabolomics. 2020 Feb 24;16(3):28 Authors: Baumeister TUH, Vallet M, Kaftan F, Guillou L, Svatoš A, Pohnert G Abstract INTRODUCTION: Marine planktonic communities are complex microbial consortia often dominated by microscopic algae. The taxonomic identification of individual phytoplankton cells usually relies on their morphology and demands expert knowledge. Recently, a live single-cell mass spectrometry (LSC-MS) pipeline was developed to generate metabolic profiles of microalgae. OBJECTIVE: Taxonomic identification of diverse microalgal single cells from collection strains and plankton samples based on the metabolic fingerprints analyzed with matrix-free laser desorption/ionization high-resolution mass spectrometry. METHODS: Matrix-free atmospheric pressure laser-desorption ionization mass spectrometry was performed to acquire single-cell mass spectra from collection strains and prior identified environmental isolates. The computational identification of microalgal species was performed by spectral pattern matching (SPM). Three similarity scores and a bootstrap-derived confidence score were evaluated in terms of their classification performance. The effects of high and low-mass resolutions on the classification success were evaluated. RESULTS: Several hundred single-cell mass spectra from nine genera and nine species of marine microalgae were obtained. SPM enabled the identification of single cells at the genus and species level with high accuracies. The receiver operating characteristic (ROC) curves indicated a good performance of the similarity measures but were outperformed by the bootstrap-derived confidence scores. CONCLUSION: This is the first study to solve taxonomic identification of microalgae based on the metabolic fingerprints of the individual cell using an SPM approach. PMID: 32090296 [PubMed - in process]

Related Articles Untargeted metabolomics links glutathione to bacterial cell cycle progression. Nat Metab. 2020 Feb;2(2):153-166 Authors: Hartl J, Kiefer P, Kaczmarczyk A, Mittelviefhaus M, Meyer F, Vonderach T, Hattendorf B, Jenal U, Vorholt JA Abstract Cell cycle progression requires the coordination of cell growth, chromosome replication, and division. Consequently, a functional cell cycle must be coupled with metabolism. However, direct measurements of metabolome dynamics remained scarce, in particular in bacteria. Here, we describe an untargeted metabolomics approach with synchronized Caulobacter crescentus cells to monitor the relative abundance changes of ~400 putative metabolites as a function of the cell cycle. While the majority of metabolite pools remains homeostatic, ~14% respond to cell cycle progression. In particular, sulfur metabolism is redirected during the G1-S transition, and glutathione levels periodically change over the cell cycle with a peak in late S phase. A lack of glutathione perturbs cell size by uncoupling cell growth and division through dysregulation of KefB, a K+/H+ antiporter. Overall, we here describe the impact of the C. crescentus cell cycle progression on metabolism, and in turn relate glutathione and potassium homeostasis to timely cell division. PMID: 32090198 [PubMed]

Related Articles Bioactive characteristics of a semi-hard non-starter culture cheese made from raw or pasteurized sheep's milk. 3 Biotech. 2020 Mar;10(3):85 Authors: Saidi V, Sheikh-Zeinoddin M, Kobarfard F, Soleimanian-Zad S Abstract In this study, the effect of pasteurization and use of starter cultures on physicochemical, microbiological and functional properties of a traditional Iranian semi-hard cheese (Lighvan cheese) was evaluated during stages of ripening (1, 60, 120 days). Profiles of polar metabolites were analyzed by gas-chromatography mass-spectrometry (GC-MS). Considerable free amino acids such as gamma-aminobutyric acid (GABA) were found in samples that have higher microbial communities i.e. raw sheep's milk without use of starter cultures and pasteurized sheep's milk cheese with co-culture. However, GABA was not found in pasteurized sheep's milk cheese without starter culture during ripening. Conclusively, the application of the starter culture could reduce the ripening time of sheep's milk cheese and could be an appropriate approach to increase the functionality of the sheep's milk cheese. PMID: 32089980 [PubMed]

Related Articles Modern traditional Chinese medicine: Identifying, defining and usage of TCM components. Adv Pharmacol. 2020;87:113-158 Authors: Newman DJ Abstract TCM-based medications have been used for millennia in China and have always been "different" from current Western-based medicines in that they frequently are still mixtures of predominately plant products. From the early 20th Century, there has been a move to identify both the actual compounds in these mixes, and then over the past approximately 50years, to utilize early information for current diseases, with an example being artemisinin for treatment of malaria. Since that discovery, Western scientists, together with their Chinese counterparts, have begun to investigate how TCM compositions can be utilized to discover new agents, sometimes the actual TCM-based compound(s) but also by utilizing the pharmacophores from such preparations that have utility in human diseases. The examples in this review include artemisinin derivatives and their manifold bioactivities, indirubins and derivatives as antitumor agents, arsenicals predominately as treatment for leukemia, though extending into other cancer types. Finally, there are sections discussing the use of current computerized techniques that combine metabolomics, mass spectroscopy/HPLC, and network pharmacology with the aim of identifying the "active principles" in relevant TCM preparations and finally how high content screening can be utilized in conjunction with the other analytical techniques. PMID: 32089231 [PubMed - in process]

Related Articles Silver Nanoparticles Alter Soil Microbial Community Compositions and Metabolite Profiles in Unplanted and Cucumber-planted Soil. Environ Sci Technol. 2020 Feb 23;: Authors: Zhang H, Huang M, Zhang W, Gardea-Torresdey JL, White JC, Ji R, Zhao L Abstract The rapid development of nanotechnology makes environmental impact assessment a neccesity to ensure the sustainable use of engineered nanomaterials. Here, silver nanoparticles (AgNPs) at 100 mg/kg were added to soils in the absence or presence of cucumber (Cucumis sativa) plants for 60 days. The response of the soil microbial community and associated soil metabolites were investigated by 16S rRNA gene sequencing and gas chromatography-mass spectrometry (GC-MS) based metabolomics, respectively. The results show that AgNPs exposure significantly increased soil pH in both unplanted and cucumber-planted soils. The soil bacterial community structure was altered upon Ag exposure in both soils. Several functionally significant bacterial groups, which are associated with carbon-, nitrogen-, and phosphorus- cycling, were compromised by AgNPs in both unplanted and cucumber-planted soils. Generally, plants played a limited role on mediating the impacts of AgNPs on the bacterial community. Soil metabolomic analysis showed that AgNPs altered the metabolite profile in both unplanted and cucumber-planted soils. The significantly changed metabolites are involved in sugar and amino acid related metabolic pathways, indicating the perturbation of C and N metabolism, which is consistent with the bacterial community structure results. In addition, several fatty acids were significantly decreased upon exposure to AgNPs in both unplanted and cucumber-planted soils, suggesting the possible oxidative stress imposed on microbial cell membranes. These results provide valuable information for understanding the biological and biochemical impacts of AgNPs exposure on both plant species and on soil microbial communities; such understanding is needed to understand the risk posed by these materials in the environment. PMID: 32088952 [PubMed - as supplied by publisher]

Related Articles Rapid identification of absorbed components and metabolites of Gandou decoction in rat plasma and liver by UPLC-Q-TOF-MSE. J Chromatogr B Analyt Technol Biomed Life Sci. 2020 Jan 15;1137:121934 Authors: Xu L, Liu Y, Wu H, Zhou A Abstract Gandou Decoction (GDD), a well-known traditional Chinese medicine prescription, has been widely used for decades in clinical practice to treat Wilson's disease (WD) in China. However, due to lack of in vivo metabolism research, the absorbed components and metabolites of GDD have not been fully elucidated. In this study, a rapid and high-throughput ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MSE) was applied to rapidly identify prototypes and metabolites after oral administration of GDD. On this basis, the possible metabolic pathways of the main prototypes were proposed between normal and copper-laden rats. As a result, a total of 89 GDD-related xenobiotics were detected in normal dosed rats, including 83 (36 prototypes and 47 metabolites) in plasma and 52 (21 prototypes and 31 metabolites) in liver; a total of 77 GDD-related xenobiotics were detected in copper-laden dosed rats, including 68 (31 prototypes and 37 metabolites) in plasma and 42 (19 prototypes and 23 metabolites) in liver. Our findings showed that anthraquinones, alkaloids and protostane triterpenoids as well as a few saponins, flavonoids, tannins and curcuminoids were the main absorbed chemical components of GDD in rat plasma; anthraquinones, protostane triterpenoids and curcuminoids were the major components in rat liver. Glucuronidation and sulfation were deduced to be the predominant metabolic pathways of GDD. Methylation, acetylation, reduction, hydroxylation, demethylation and deglycosylation were often occurred in the metabolic process. Furthermore, the holistic metabolic profile of GDD revealed that copper-laden rats and normal rats had certain differences in drug absorption and metabolism. This study offered a solid basis for ascertaining bioactive components and action mechanism of GDD. PMID: 31877432 [PubMed - indexed for MEDLINE]

Related Articles Functional cross-talk between allosteric effects of activating and inhibiting ligands underlies PKM2 regulation. Elife. 2019 07 02;8: Authors: Macpherson JA, Theisen A, Masino L, Fets L, Driscoll PC, Encheva V, Snijders AP, Martin SR, Kleinjung J, Barran PE, Fraternali F, Anastasiou D Abstract Several enzymes can simultaneously interact with multiple intracellular metabolites, however, how the allosteric effects of distinct ligands are integrated to coordinately control enzymatic activity remains poorly understood. We addressed this question using, as a model system, the glycolytic enzyme pyruvate kinase M2 (PKM2). We show that the PKM2 activator fructose 1,6-bisphosphate (FBP) alone promotes tetramerisation and increases PKM2 activity, but addition of the inhibitor L-phenylalanine (Phe) prevents maximal activation of FBP-bound PKM2 tetramers. We developed a method, AlloHubMat, that uses eigenvalue decomposition of mutual information derived from molecular dynamics trajectories to identify residues that mediate FBP-induced allostery. Experimental mutagenesis of these residues identified PKM2 variants in which activation by FBP remains intact but cannot be attenuated by Phe. Our findings reveal residues involved in FBP-induced allostery that enable the integration of allosteric input from Phe and provide a paradigm for the coordinate regulation of enzymatic activity by simultaneous allosteric inputs. PMID: 31264961 [PubMed - indexed for MEDLINE]

Related Articles Kynurenine Is a Cerebrospinal Fluid Biomarker for Bacterial and Viral Central Nervous System Infections. J Infect Dis. 2019 06 05;220(1):127-138 Authors: Sühs KW, Novoselova N, Kuhn M, Seegers L, Kaever V, Müller-Vahl K, Trebst C, Skripuletz T, Stangel M, Pessler F Abstract BACKGROUND: The tryptophan-kynurenine-nicotinamide adenine dinucleotide (oxidized; NAD+) pathway is closely associated with regulation of immune cells toward less inflammatory phenotypes and may exert neuroprotective effects. Investigating its regulation in central nervous system (CNS) infections would improve our understanding of pathophysiology and end-organ damage, and, furthermore, open doors to its evaluation as a source of diagnostic and/or prognostic biomarkers. METHODS: We measured concentrations of kynurenine (Kyn) and tryptophan (Trp) in 221 cerebrospinal fluid samples from patients with bacterial and viral (due to herpes simplex, varicella zoster, and enteroviruses) meningitis/encephalitis, neuroborreliosis, autoimmune neuroinflammation (due to anti-N-methyl-D-aspartate receptor [NMDA] encephalitis and multiple sclerosis), and noninflamed controls (ie, individuals with Bell palsy, normal pressure hydrocephalus, or Tourette syndrome). RESULTS: Kyn concentrations correlated strongly with CSF markers of neuroinflammation (ie, leukocyte count, lactate concentration, and blood-CSF-barrier dysfunction), were highly increased in bacterial and viral CNS infections, but were low or undetectable in NMDA encephalitis, multiple sclerosis, and controls. Trp concentrations were decreased mostly in viral CNS infections and neuroborreliosis. Multiple logistic regression analysis revealed that combinations of Kyn concentration, Trp concentration, and Kyn/Trp concentration ratio with leukocyte count or lactate concentration were accurate classifiers for the clinically important differentiation between neuroborreliosis, viral CNS infections, and autoimmune neuroinflammation. CONCLUSIONS: The Trp-Kyn-NAD+ pathway is activated in CNS infections and provides highly accurate CSF biomarkers, particularly when combined with standard CSF indices of neuroinflammation. PMID: 30721966 [PubMed - indexed for MEDLINE]

Related Articles Pre-diagnostic Serum Metabolomic Profiling of Prostate Cancer Survival. J Gerontol A Biol Sci Med Sci. 2019 05 16;74(6):853-859 Authors: Huang J, Weinstein SJ, Moore SC, Derkach A, Hua X, Mondul AM, Sampson JN, Albanes D Abstract Impaired metabolism may play a role in the development and lethality of prostate cancer, yet a comprehensive analysis of the interrelationships appears lacking. We measured 625 metabolites using ultrahigh performance liquid chromatography/mass spectrometry (LC-MS) and gas chromatography/mass spectrometry (GC-MS) of prediagnostic serum from 197 prostate cancer cases in the Alpha-Tocopherol, Beta-Carotene Cancer Prevention (ATBC) Study (ages at diagnosis, 55-86 years). Cox proportional hazards models estimated associations between circulating metabolites and prostate cancer mortality for 1 SD differences (log-metabolite scale), adjusted for age, year of diagnosis, and disease stage. Associations between metabolite chemical classes and survival were examined through pathway analysis, and Cox models assessed the relationship with a sterol/steroid metabolite principal component analysis factor score. Elevated serum N-oleoyl taurine was significantly associated with prostate cancer-specific mortality (hazard ratios [HR] = 1.72 per 1 SD, p < .00008, Bonferroni-corrected threshold = 0.05/625; HR = 3.6 for highest vs lowest tertile, p < .001). Pathway analyses revealed a statistically significant association between lipids and prostate cancer death (p < .006, Bonferroni-corrected threshold = 0.05/8), and sterol/steroid metabolites showed the strongest chemical sub-class association (p = .0014, Bonferroni-corrected threshold = 0.05/45). In the principal component analysis, a 1-SD increment in the sterol/steroid metabolite score increased the risk of prostate cancer death by 46%. Prediagnostic serum N-oleoyl taurine and sterol/steroid metabolites were associated with prostate cancer survival. PMID: 29878065 [PubMed - indexed for MEDLINE]

Related Articles Dynamics in redox metabolism, from stoichiometry towards kinetics. Curr Opin Biotechnol. 2020 Feb 20;64:116-123 Authors: Verhagen KJ, van Gulik WM, Wahl SA Abstract Redox metabolism plays an essential role in the central metabolic network of all living cells, connecting, but at the same time separating, catabolic and anabolic pathways. Redox metabolism is inherently linked to the excretion of overflow metabolites. Overflow metabolism allows for higher substrate uptake rates, potentially outcompeting other microorganisms for the same substrate. Within dynamically changing environments, overflow metabolism can act as storage mechanism, as is shown in many recently described processes. However, for complete understanding of these mechanisms, the intracellular state of the metabolism must be elucidated. In recent years, progress has been made in the field of metabolomics to improve the accuracy and precision of measurements of intracellular and intercompartmental metabolites. This article highlights several of these recent advances, with focus on redox cofactor measurements, both fluorescence and mass spectrometry based. PMID: 32088622 [PubMed - as supplied by publisher]

Related Articles Exposure of ultrafine particulate matter causes glutathione redox imbalance in the hippocampus: A neurometabolic susceptibility to Alzheimer's pathology. Sci Total Environ. 2020 Feb 12;718:137267 Authors: Park SJ, Lee J, Lee S, Lim S, Noh J, Cho SY, Ha J, Kim H, Kim C, Park S, Lee DY, Kim E Abstract Particulate matter (PM) exposure is related to an increased risk of sporadic Alzheimer's disease (AD), the pathogenesis of which is explained by chronic neurometabolic disturbance. Therefore, PM-induced alterations in neurometabolism might herald AD. We aimed to identify brain region-specific changes in metabolic pathways associated with ultrafine particle (UFP) exposure and to determine whether such metabolic alterations are linked to susceptibility to AD. We constructed UFP exposure chambers and generated UFP by the pyrolysis method, which produces no toxic oxidized by-products of combustion, such as NOx and CO. Twenty male C57BL6 mice (11-12 months old) were exposed either to UFP or room air in the chambers for 3 weeks. One week following completion of UFP exposure, regional brain tissues, including the olfactory bulb, cortex, hippocampus, and cerebellum, were obtained and analyzed by metabolomics based on GC-MS and LC-MS, western blot analysis, and immunohistochemistry. Our results demonstrated that the metabolomic phenotype was distinct within the 4 different anatomical regions following UFP exposure. The highest level of metabolic change was identified in the hippocampus, a vulnerable region involved in AD pathogenesis. In this region, one of the key changes was perturbed redox homeostasis via alterations in the methionine-glutathione pathway. UFP exposure also induced oxidative stress and neuroinflammation, and importantly, increased Alzheimer's beta-amyloid levels in the hippocampus. These results suggest that inhaled UFP-induced perturbation in hippocampal redox homeostasis has a role in the pathogenesis of AD. Therefore, chronic exposure to UFP should be regarded as a cumulative environmental risk factor for sporadic AD. PMID: 32088476 [PubMed - as supplied by publisher]

Related Articles Metabolomic fingerprinting and genetic discrimination of four Hypericum taxa from Greece. Phytochemistry. 2020 Feb 19;:112290 Authors: Zeliou K, Koui EM, Papaioannou C, Koulakiotis NS, Iatrou G, Tsarbopoulos A, Papasotiropoulos V, Lamari FN Abstract Hypericum perforatum has plenty of uses in traditional medicine and is the source of top-selling herbal drugs and food supplements. The secondary metabolite chemistry for most of the nearly 500 Hypericum taxa is still unknown, even though they are used interchangeably. In the present study, we characterized four Hypericum populations from Achaia, Greece, belonging to H. perforatum ssp. veronense, H. perfoliatum, H. triquetrifolium, and an uninvestigated taxon, H. empetrifolium ssp. empetrifolium, in terms of their essential oils and polar bioactives in methanolic extracts via GC-MS, LC-HRMS, LC-DAD-MS, and HPLC-DAD. We also performed sequence analysis of nrITS to explore the genetic profile of these taxa and to examine whether their genotype is correlated to the metabolome. Sixty-three non-volatile compounds, phloroglucinols in their majority, and over one hundred (113) volatiles, mostly sesqui- and mono- terpenes, were detected. The concentration of the major polar constituents varied greatly among samples. In particular, phloroglucinols' diversity and abundance in H. empetrifolium ssp. empetrifolium was remarkable. The PCA and Biplot analysis revealed the contribution of each compound to the total chemodiversity and also revealed certain compounds that contribute to the discrimination of the samples. Sequence analysis of nrITS revealed different genetic profiles and markers which can be used for the identification of the four Hypericum taxa. The Mantel test showed a relatively strong correlation between the genetic profile and the volatile compounds and low with the main polar metabolites. PMID: 32087928 [PubMed - as supplied by publisher]

68 new pubmed citations were retrieved for your search. Click on the search hyperlink below to display the complete search results: metabolomics These pubmed results were generated on 2020/02/23PubMed comprises more than millions of citations for biomedical literature from MEDLINE, life science journals, and online books. Citations may include links to full-text content from PubMed Central and publisher web sites.

61 new pubmed citations were retrieved for your search. Click on the search hyperlink below to display the complete search results: metabolomics These pubmed results were generated on 2020/02/22PubMed comprises more than millions of citations for biomedical literature from MEDLINE, life science journals, and online books. Citations may include links to full-text content from PubMed Central and publisher web sites.

27 new pubmed citations were retrieved for your search. Click on the search hyperlink below to display the complete search results: metabolomics These pubmed results were generated on 2020/02/21PubMed comprises more than millions of citations for biomedical literature from MEDLINE, life science journals, and online books. Citations may include links to full-text content from PubMed Central and publisher web sites.

38 new pubmed citations were retrieved for your search. Click on the search hyperlink below to display the complete search results: metabolomics These pubmed results were generated on 2020/02/20PubMed comprises more than millions of citations for biomedical literature from MEDLINE, life science journals, and online books. Citations may include links to full-text content from PubMed Central and publisher web sites.