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"Untargeted metabolomics"

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https://www.readbyqxmd.com/read/28821838/biogeography-shaped-the-metabolome-of-the-genus-espeletia-a-phytochemical-perspective-on-an-andean-adaptive-radiation
#1
Guillermo F Padilla-González, Mauricio Diazgranados, Fernando B Da Costa
The páramo ecosystem has the highest rate of diversification across plant lineages on earth, of which the genus Espeletia (Asteraceae) is a prime example. The current distribution and molecular phylogeny of Espeletia suggest the influence of Andean geography and past climatic fluctuations on the diversification of this genus. However, molecular markers have failed to reveal subtle biogeographical trends in Espeletia diversification, and metabolomic evidence for allopatric segregation in plants has never been reported...
August 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28815270/pre-analytic-evaluation-of-volumetric-absorptive-microsampling-and-integration-in-a-mass-spectrometry-based-metabolomics-workflow
#2
Chiara Volani, Giulia Caprioli, Giovanni Calderisi, Baldur B Sigurdsson, Johannes Rainer, Ivo Gentilini, Andrew A Hicks, Peter P Pramstaller, Guenter Weiss, Sigurdur V Smarason, Giuseppe Paglia
Volumetric absorptive microsampling (VAMS) is a novel approach that allows single-drop (10 μL) blood collection. Integration of VAMS with mass spectrometry (MS)-based untargeted metabolomics is an attractive solution for both human and animal studies. However, to boost the use of VAMS in metabolomics, key pre-analytical questions need to be addressed. Therefore, in this work, we integrated VAMS in a MS-based untargeted metabolomics workflow and investigated pre-analytical strategies such as sample extraction procedures and metabolome stability at different storage conditions...
August 17, 2017: Analytical and Bioanalytical Chemistry
https://www.readbyqxmd.com/read/28813537/metabolite-patterns-predicting-sex-and-age-in-participants-of-the-karlsruhe-metabolomics-and-nutrition-karmen-study
#3
Manuela J Rist, Alexander Roth, Lara Frommherz, Christoph H Weinert, Ralf Krüger, Benedikt Merz, Diana Bunzel, Carina Mack, Björn Egert, Achim Bub, Benjamin Görling, Pavleta Tzvetkova, Burkhard Luy, Ingrid Hoffmann, Sabine E Kulling, Bernhard Watzl
Physiological and functional parameters, such as body composition, or physical fitness are known to differ between men and women and to change with age. The goal of this study was to investigate how sex and age-related physiological conditions are reflected in the metabolome of healthy humans and whether sex and age can be predicted based on the plasma and urine metabolite profiles. In the cross-sectional KarMeN (Karlsruhe Metabolomics and Nutrition) study 301 healthy men and women aged 18-80 years were recruited...
2017: PloS One
https://www.readbyqxmd.com/read/28807226/liver-metabolomics-study-reveals-protective-function-of-phyllanthus-urinaria-against-ccl4-induced-liver-injury
#4
Qing Guo, Qian-Qian Zhang, Jia-Qing Chen, Wei Zhang, Hong-Cong Qiu, Zun-Jian Zhang, Bu-Ming Liu, Feng-Guo Xu
Phyllanthus Urinaria L. (PUL) is a traditional Chinese medicine used to treat hepatic and renal disorders. However, the mechanism of its hepatoprotective action is not fully understood. In the present study, blood biochemical indexes and liver histopathological changes were used to estimate the extent of hepatic injury. GC/MS and LC/MS-based untargeted metabolomics were used in combination to characterize the potential biomarkers associated with the protective activity of PUL against CCl4-induced liver injury in rats...
July 2017: Chinese Journal of Natural Medicines
https://www.readbyqxmd.com/read/28801717/vitamin-b6-is-essential-for-serine-de-novo-biosynthesis
#5
Rúben J Ramos, Mia L Pras-Raves, Johan Gerrits, Maria van der Ham, Marcel Willemsen, Hubertus Prinsen, Boudewijn Burgering, Judith J Jans, Nanda M Verhoeven-Duif
Pyridoxal 5'-phosphate (PLP), the metabolically active form of vitamin B6, plays an essential role in brain metabolism as a cofactor in numerous enzyme reactions. PLP deficiency in brain, either genetic or acquired, results in severe drug-resistant seizures that respond to vitamin B6 supplementation. The pathogenesis of vitamin B6 deficiency is largely unknown. To shed more light on the metabolic consequences of vitamin B6 deficiency in brain, we performed untargeted metabolomics in vitamin B6-deprived Neuro-2a cells...
August 11, 2017: Journal of Inherited Metabolic Disease
https://www.readbyqxmd.com/read/28795489/plasma-metabolomics-reveals-steroidal-alkaloids-as-novel-biomarkers-of-tomato-intake-in-mice
#6
Morgan J Cichon, Ken M Riedl, Lei Wan, Jennifer M Thomas-Ahner, David M Francis, Steven K Clinton, Steven J Schwartz
SCOPE: Diets rich in tomato products are associated with a reduced risk of various chronic disease processes. The carotenoid lycopene is most intensely studied as the bioactive mediating health effects, yet tomatoes contain an array of phytochemicals. We conducted an untargeted metabolomics study on blood plasma to identify novel markers of tomato consumption absorbed from the diet and released into the bloodstream in mice. METHODS AND RESULTS: Male mice were fed a control AIN-93G diet or the same diet supplemented with 0...
August 9, 2017: Molecular Nutrition & Food Research
https://www.readbyqxmd.com/read/28794210/metabolomic-evaluation-of-the-consequences-of-plasma-cystathionine-elevation-in-adults-with-stable-angina-pectoris
#7
Barbara N DeRatt, Maria A Ralat, Vegard Lysne, Fariba Tayyari, Indu Dhar, Arthur S Edison, Timothy J Garrett, Øivind Midttun, Per Magne Ueland, Ottar Kjell Nygård, Jesse F Gregory
Background: An elevated circulating cystathionine concentration, which arises in part from insufficiencies of vitamin B-6, B-12, or folate, has been shown to be associated with cardiovascular disease (CVD) risk. Hydrogen sulfide (H2S) is a gasotransmitter involved in vasodilation, neuromodulation, and inflammation. Most endogenously produced H2S is formed by pyridoxal phosphate (PLP)-dependent enzymes by noncanonical reactions of the transsulfuration pathway that yield H2S concurrently form lanthionine and homolanthionine...
August 9, 2017: Journal of Nutrition
https://www.readbyqxmd.com/read/28792021/hyphenated-ms-based-targeted-approaches-in-metabolomics
#8
REVIEW
O Begou, H G Gika, I D Wilson, G Theodoridis
While global metabolic profiling (untargeted metabolomics) has been the center of much interest and research activity in the past few decades, more recently targeted metabolomics approaches have begun to gain ground. These analyses are, to an extent, more hypothesis-driven, as they focus on a set of pre-defined metabolites and aim towards their determination, often to the point of absolute quantification. The continuous development of the technological platforms used in these studies facilitates the analysis of large numbers of well-characterized metabolites present in complex matrices...
August 9, 2017: Analyst
https://www.readbyqxmd.com/read/28783331/discovery-and-synthesis-of-caracolamide-a-an-ion-channel-modulating-dichlorovinylidene-containing-phenethylamide-from-a-panamanian-marine-cyanobacterium-cf-symploca-species
#9
C Benjamin Naman, Jehad Almaliti, Lorene Armstrong, Eduardo J Caro-Díaz, Marsha L Pierce, Evgenia Glukhov, Amanda Fenner, Carmenza Spadafora, Hosana M Debonsi, Pieter C Dorrestein, Thomas F Murray, William H Gerwick
A recent untargeted metabolomics investigation into the chemical profile of 10 organic extracts from cf. Symploca spp. revealed several interesting chemical leads for further natural product drug discovery. Subsequent target-directed isolation efforts with one of these, a Panamanian marine cyanobacterium cf. Symploca sp., yielded a phenethylamide metabolite that terminates in a relatively rare gem-dichlorovinylidene moiety, caracolamide A (1), along with a known isotactic polymethoxy-1-alkene (2). Detailed NMR and HRESIMS analyses were used to determine the structures of these molecules, and compound 1 was confirmed by a three-step synthesis...
August 7, 2017: Journal of Natural Products
https://www.readbyqxmd.com/read/28782053/elucidating-the-structure-of-n-1-acetylisoputreanine-a-novel-polyamine-catabolite-in-human-urine
#10
Bryna L Fitzgerald, Sebabrata Mahapatra, Delphine K Farmer, Michael R McNeil, Robert A Casero, John T Belisle
An untargeted metabolomics approach was utilized to determine urinary metabolites that could serve as small-molecule biomarkers for treatment response to standard tuberculosis treatment. However, the majority of metabolites that most accurately distinguished patient samples at the time of diagnosis from those at 1 month after the start of therapy lacked structural identification. The detection of unknown metabolite structures is a well-known limitation of untargeted metabolomics and underscores a need for continued elucidation of novel metabolite structures...
July 31, 2017: ACS Omega
https://www.readbyqxmd.com/read/28769804/metabolomics-and-integrative-omics-for-the-development-of-thai-traditional-medicine
#11
REVIEW
Sakda Khoomrung, Kwanjeera Wanichthanarak, Intawat Nookaew, Onusa Thamsermsang, Patcharamon Seubnooch, Tawee Laohapand, Pravit Akarasereenont
In recent years, interest in studies of traditional medicine in Asian and African countries has gradually increased due to its potential to complement modern medicine. In this review, we provide an overview of Thai traditional medicine (TTM) current development, and ongoing research activities of TTM related to metabolomics. This review will also focus on three important elements of systems biology analysis of TTM including analytical techniques, statistical approaches and bioinformatics tools for handling and analyzing untargeted metabolomics data...
2017: Frontiers in Pharmacology
https://www.readbyqxmd.com/read/28768579/untargeted-metabolomics-of-fresh-and-heat-treatment-tiger-nut-cyperus-esculentus-l-milks-reveals-further-insight-into-food-quality-and-nutrition
#12
Josep Rubert, Andoni Monforte, Kamila Hurkova, Gaspar Pérez-Martínez, Jesús Blesa, José L Navarro, Milena Stranka, José Miguel Soriano, Jana Hajslova
Tiger nut (Cyperus esculentus L.) is a crop traditionally grown in Valencia Region (Spain) and other temperate and tropical regions in the world, where its tubers are commonly consumed as tiger nut milk (horchata). Because of their nutritive potential and original taste, these products are beginning to spread internationally and, as consequence, analytical procedures to assess nutritional profiles, quality control issues are acquiring increasing relevance. The main objective of this study was to use an advance analytical method and chemometrics tools to determine if the ultra-high temperature (UHT) treatment necessary to extend the shelf life of tiger nut milk would affect the profile of nutrients when compared to fresh product...
July 23, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28759762/low-level-maternal-exposure-to-nicotine-associates-with-significant-metabolic-perturbations-in-second-trimester-amniotic-fluid
#13
S Taylor Fischer, Loukia N Lili, Shuzhao Li, ViLinh T Tran, Kim B Stewart, Charles E Schwartz, Dean P Jones, Stephanie L Sherman, Judith L Fridovich-Keil
Decades of public health research have documented that smoking in pregnancy poses significant health risks to both mother and child. More recent studies have shown that even passive maternal exposure to secondhand smoke associates with negative birth outcomes. However, the mechanisms linking exposure to outcomes have remained obscure. As a first step toward defining the metabolic consequence of low-level nicotine exposure on fetal development, we conducted an untargeted metabolomic analysis of 81 paired samples of maternal serum and amniotic fluid collected from karyotypically normal pregnancies in the second trimester...
July 28, 2017: Environment International
https://www.readbyqxmd.com/read/28758940/non-targeted-metabolomics-analysis-of-golden-retriever-muscular-dystrophy-affected-muscles-reveals-alterations-in-arginine-and-proline-metabolism-and-elevations-in-glutamic-and-oleic-acid-in-vivo
#14
Muhammad Abdullah, Joe N Kornegay, Aubree Honcoop, Traci L Parry, Cynthia J Balog-Alvarez, Sara K O'Neal, James R Bain, Michael J Muehlbauer, Christopher B Newgard, Cam Patterson, Monte S Willis
BACKGROUND: Like Duchenne muscular dystrophy (DMD), the Golden Retriever Muscular Dystrophy (GRMD) dog model of DMD is characterized by muscle necrosis, progressive paralysis, and pseudohypertrophy in specific skeletal muscles. This severe GRMD phenotype includes moderate atrophy of the biceps femoris (BF) as compared to unaffected normal dogs, while the long digital extensor (LDE), which functions to flex the tibiotarsal joint and serves as a digital extensor, undergoes the most pronounced atrophy...
July 29, 2017: Metabolites
https://www.readbyqxmd.com/read/28758362/metabolomic-determinants-of-metabolic-risk-in-mexican-adolescents
#15
Wei Perng, Emily C Hector, Peter X K Song, Martha Maria Tellez Rojo, Sasha Raskind, Maureen Kachman, Alejandra Cantoral, Charles F Burant, Karen E Peterson
OBJECTIVE: The goal of this study was to identify metabolites associated with metabolic risk, separately by sex, in Mexican adolescents. METHODS: Untargeted metabolomic profiling was carried out on fasting serum of 238 youth aged 8 to 14 years, and metabolites associated with a metabolic syndrome risk z-score (MetRisk z-score) were identified separately for boys and girls, using the simulation and extrapolation algorithm. Associations of each metabolite with MetRisk z-score were examined using linear regression models that accounted for maternal education, child's age, and pubertal status...
July 31, 2017: Obesity
https://www.readbyqxmd.com/read/28742826/macromolecular-biosynthetic-parameters-and-metabolic-profile-in-different-life-stages-of-leishmania-braziliensis-amastigotes-as-a-functionally-less-active-stage
#16
Marlene Jara, Maya Berg, Guy Caljon, Geraldine de Muylder, Bart Cuypers, Denis Castillo, Ilse Maes, María Del Carmen Orozco, Manu Vanaerschot, Jean-Claude Dujardin, Jorge Arevalo
It was recently hypothesized that Leishmania amastigotes could constitute a semi-quiescent stage characterized by low replication and reduced metabolic activity. This concept developed with Leishmania (Leishmania) mexicana and Leishmania (Leishmania) major models might explain numerous clinical and sub-clinical features of Leishmania (Viannia) braziliensis infections, like reactivation of the disease, non-response to chemotherapy or asymptomatic infections. We compared here in vitro the proliferative capability of L...
2017: PloS One
https://www.readbyqxmd.com/read/28738582/metaboqc-a-tool-for-correcting-untargeted-metabolomics-data-with-mass-spectrometry-detection-using-quality-controls
#17
Mónica Calderón-Santiago, María A López-Bascón, Ángela Peralbo-Molina, Feliciano Priego-Capote
Nowadays most metabolomic studies involve the analysis of large sets of samples to find a representative metabolite pattern associated to the factor under study. During a sequence of analyses the instrument signals can be subjected to the influence of experimental variability sources. Implementation of quality control (QC) samples to check the contribution of experimental variability is the most common approach in metabolomics. This practice is based on the filtration of molecular entities experiencing a variation coefficient higher than that measured in the QC data set...
November 1, 2017: Talanta
https://www.readbyqxmd.com/read/28732012/multi-approach-metabolomics-analysis-and-artificial-simplified-phytocomplexes-reveal-cultivar-dependent-synergy-between-polyphenols-and-ascorbic-acid-in-fruits-of-the-sweet-cherry-prunus-avium-l
#18
Mauro Commisso, Martino Bianconi, Flavia Di Carlo, Stefania Poletti, Alessandra Bulgarini, Francesca Munari, Stefano Negri, Matteo Stocchero, Stefania Ceoldo, Linda Avesani, Michael Assfalg, Gianni Zoccatelli, Flavia Guzzo
Fruits of the sweet cherry (Prunus avium L.) accumulate a range of antioxidants that can help to prevent cardiovascular disease, inflammation and cancer. We tested the in vitro antioxidant activity of 18 sweet cherry cultivars collected from 12 farms in the protected geographical indication region of Marostica (Vicenza, Italy) during two growing seasons. Multiple targeted and untargeted metabolomics approaches (NMR, LC-MS, HPLC-DAD, HPLC-UV) as well as artificial simplified phytocomplexes representing the cultivars Sandra Tardiva, Sandra and Grace Star were then used to determine whether the total antioxidant activity reflected the additive effects of each compound or resulted from synergistic interactions...
2017: PloS One
https://www.readbyqxmd.com/read/28714069/discriminant-biomarkers-of-acute-respiratory-distress-syndrome-associated-to-h1n1-influenza-identified-by-metabolomics-hplc-qtof-ms-ms-platform
#19
Alessia Ferrarini, Laura Righetti, Ma Paz Martínez, Mariano Fernández, Annalaura Mastrangelo, Juan P Horcajada, Antoni Betbesé, Andrés Esteban, Jordi Ordóñez, Joaquín de Gea, Jesús Ruiz Cabello, Federica Pellati, José A Lorente, Nicolás Nin, Francisco J Rupérez
Acute Respiratory Distress Syndrome (ARDS) is a serious complication of influenza A (H1N1) virus infection. Its pathogenesis is unknown, and biomarkers are lacking. Untargeted metabolomics allows the analysis of the whole metabolome in a biological compartment, identifying patterns associated with specific conditions. We hypothesized that LC-MS could help identify discriminant metabolites able to define the metabolic alterations occurring in patients with influenza A (H1N1) virus infection that developed ARDS...
July 17, 2017: Electrophoresis
https://www.readbyqxmd.com/read/28692847/microbial-metabolites-are-associated-with-a-high-adherence-to-a-mediterranean-dietary-pattern-using-a-1-h-nmr-based-untargeted-metabolomics-approach
#20
Enrique Almanza-Aguilera, Mireia Urpi-Sarda, Rafael Llorach, Rosa Vázquez-Fresno, Mar Garcia-Aloy, Francesc Carmona, Alex Sanchez, Francisco Madrid-Gambin, Ramon Estruch, Dolores Corella, Cristina Andres-Lacueva
The study of biomarkers of dietary patterns including the Mediterranean diet (MedDiet) is scarce and could improve the assessment of these patterns. Moreover, it could provide a better understanding of health benefits of dietary patterns in nutritional epidemiology. We aimed to determine a robust and accurate biomarker associated with a high adherence to a MedDiet pattern that included dietary assessment and its biological effect. In this cross-sectional study, we included 56 and 63 individuals with high (H-MDA) and low (L-MDA) MedDiet adherence categories, respectively, all from the Prevención con Dieta Mediterránea trial...
June 7, 2017: Journal of Nutritional Biochemistry
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