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Metabolomics, Volume 17, pp 1-24; doi:10.1007/s11306-021-01796-1

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A. Aneesh Kumar, Vanaja R. Anusree, Gopika Satheesh, Gadadharan Vijayakumar, Mahesh Chandran, Leena Simon, Subhadra Lakshmi, Madhavan R. Pillai,
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-021-01798-z

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Metabolomics, Volume 17, pp 1-15; doi:10.1007/s11306-021-01800-8

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Metabolomics, Volume 17, pp 1-4; doi:10.1007/s11306-021-01791-6

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Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-021-01795-2

Abstract:
Introduction Manganese is important for the endocarditis pathogen Streptococcus sanguinis. Little is known about why manganese is required for virulence or how it impacts the metabolome of streptococci. Objectives We applied untargeted metabolomics to cells and media to understand temporal changes resulting from manganese depletion. Methods EDTA was added to a S. sanguinis manganese-transporter mutant in aerobic fermentor conditions. Cell and media samples were collected pre- and post-EDTA treatment. Metabolomics data were generated using positive and negative modes of data acquisition on an LC–MS/MS system. Data were subjected to statistical processing using MetaboAnalyst and time-course analysis using Short Time series Expression Miner (STEM). Recombinant enzymes were assayed for metal dependence. Results We observed quantitative changes in 534 and 422 metabolites in cells and media, respectively, after EDTA addition. The 173 cellular metabolites identified as significantly different indicated enrichment of purine and pyrimidine metabolism. Further multivariate analysis revealed that the top 15 cellular metabolites belonged primarily to lipids and redox metabolites. The STEM analysis revealed global changes in cells and media in comparable metabolic pathways. Glycolytic intermediates such as fructose-1,6-bisphosphate increased, suggesting that enzymes that utilize them require manganese for activity or expression. Recombinant enzymes were confirmed to utilize manganese in vitro. Nucleosides accumulated, possibly due to a blockage in conversion to nucleobases resulting from manganese-dependent regulation. Conclusion Differential analysis of metabolites revealed the activation of a number of metabolic pathways in response to manganese depletion, many of which are connected to carbon catabolite repression.
, Oluwafemi Ayodeji Adebo,
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-021-01790-7

Abstract:
Introduction Since ancient times medicinal plants have been used as medicine in many parts of the world to promote human health and longevity. In recent years many novel secondary metabolites of plants have been isolated and reported to provide lead compounds for new drug discoveries. Solanum mauritianum Scopoli is native to South America. It is reported to be used by native South Americans during famine as a vegetable and as medicine to cure various diseases. In South Africa the plant is viewed as weed and is facing eradication, however, this plant is a valuable subject for research into its potential pharmaceutical and chemical uses. This study elucidated the metabolic profile of fungal endophytes that have promising bioactive secondary metabolites against pathogenic microorganisms, including mycobacterium species. Material and methods Fungal endophytes from a weed Solanum mauritianum Scop. were used to synthesize secondary metabolites. Gas chromatograph high-resolution time-of-flight mass spectrometry (GC-HRTOF-MS) was used to analyse volatile compounds to prove that potentially fungal endophytes could be extracted from this weed. Extracts obtained with ethyl acetate were screened for phytochemicals and analyzed using a gas chromatograph high-resolution time-of-flight mass spectrometry system. Principal component analysis was used to compare the gas chromatograph high-resolution time-of-flight mass spectrometry data for differences/similarities in their clustering. Phytochemical screening was conducted on the crude extracts of fungal endophytes obtained from different parts of Solanum mauritianum Scopoli (leaves, ripe fruit, unripe fruit and stems). Results Phytochemical screening indicated the presents of alkaloids, flavonoids, glycosides, phenols, quinones and saponins. Quinones were not present in the crude extracts of Fusarium sp. A total of 991 compounds were observed in the fungal endophytes, and Cladosporium sp. (23.8%) had the highest number of compounds, compared to Paracamarosporium leucadendri (1.7%) and Talaromyces sp. (1.5%). Some volatile compounds such as eicosane, 2-pentadecanone, 2-methyloctacosane, hexacosane and tridecanoic acid methyl ester with antibacterial activity were also observed. Conclusion Compositional variations between the plant and fungal endophyte phytochemicals were observed. The results of this study indicate that fungal endophytes from Solanum mauritianum Scop. contain compounds that can be exploited for numerous pharmaceutical and medicinal applications.
Hattapark Dejakaisaya, Anna Harutyunyan, ,
Published: 19 April 2021
Metabolomics, Volume 17, pp 1-12; doi:10.1007/s11306-021-01793-4

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, Courtney L. Hancock, Cathleen M. Poole, Audrey L. Emery, Jesse R. Poovey, Casey Hagg, Eric A. Mattson, Jon J. Scarborough, Jordan S. Christopher, Alexander T. Dixon, et al.
Metabolomics, Volume 17, pp 1-10; doi:10.1007/s11306-021-01792-5

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Martha E. García-Aguilera, Eduardo Rodríguez De San Miguel, Jocelyn Cruz-Pérez, Lucinda Aguirre-Cruz, Christian M. Ramirez-Alfaro,
Metabolomics, Volume 17, pp 1-12; doi:10.1007/s11306-021-01794-3

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Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-021-01786-3

Abstract:
Background Microorganisms synthesize and release a large diversity of small molecules like volatile compounds, which allow them to relate and interact with their environment. Volatile organic compounds (VOCs) are carbon-based compounds with low molecular weight and generally, high vapor pressure; because of their nature, they spread easily in the environment. Little is known about the role of VOCs in the interaction processes, and less is known about VOCs produced by Malassezia, a genus of yeasts that belongs to the human skin mycobiota. These yeasts have been associated with several dermatological diseases and currently, they are considered as emerging opportunistic yeasts. Research about secondary metabolites of these yeasts is limited. The pathogenic role and the molecular mechanisms involved in the infection processes of this genus are yet to be clarified. VOCs produced by Malassezia yeasts could play an important function in their metabolism; in addition, they might be involved in either beneficial or pathogenic host-interaction processes. Since these yeasts present differences in their nutritional requirements, like lipids to grow, it is possible that these variations of growth requirements also define differences in the volatile organic compounds produced in Malassezia species. Aim of review We present a mini review about VOCs produced by microorganisms and Malassezia species, and hypothesize about their role in its metabolism, which would reveal clues about host-pathogen interaction. Key scientific concepts of review Since living organisms inhabit a similar environment, the interaction processes occur naturally; as a result, a signal and a response from participants of these processes become important in understanding several biological behaviors. The efforts to elucidate how living organisms interact has been studied from several perspectives. An important issue is that VOCs released by the microbiota plays a key role in the setup of relationships between living micro and macro organisms. The challenge is to determine what is the role of these VOCs produced by human microbiota in commensal/pathogenic scenarios, and how these allow understanding the species metabolism. Malassezia is part of the human mycobiota, and it is implicated in commensal and pathogenic processes. It is possible that their VOCs are involved in these behavioral changes, but the knowledge about this remains overlocked. For this reason, VOCs produced by microorganisms and Malassezia spp. and their role in several biological processes are the main topic in this review.
Jing Guo, Jinhui Zhao, Rui Liu, Jiaying Yu, Mingjia Zhang, Hanming Wang,
Metabolomics, Volume 17, pp 1-14; doi:10.1007/s11306-021-01788-1

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Hunter A. Miller, Ramy Emam, Chip M. Lynch, Samuel Bockhorst,
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-021-01787-2

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Ho-Jin Kim, Su Jung Kim, Chul-Woong Woo, Sang-Tae Kim, Minju Im, Sun Kyu Park, Jeom-Yong Kim, , ,
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-021-01781-8

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Alexandre Giannecchini Romagnolo,
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-021-01783-6

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Correction
Britta Spanier, Anne Laurençon, Anna Weiser, Nathalie Pujol, Shizue Omi, Aiko Barsch, Ansgar Korf, Sven W. Meyer, Jonathan J. Ewbank, Francesca Palladino, et al.
Metabolomics, Volume 17, pp 1-1; doi:10.1007/s11306-021-01784-5

Kelli Goodman, Matthew Mitchell, Anne M. Evans, Luke A. D. Miller, Lisa Ford, Bryan Wittmann, Adam D. Kennedy,
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-021-01782-7

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Lucie Lécuyer, Agnès Victor Bala, Aicha Demidem, Adrien Rossary, Nadia Bouchemal, Mohamed Nawfal Triba, Pilar Galan, Serge Hercberg, Valentin Partula, Bernard Srour, et al.
Metabolomics, Volume 17, pp 1-10; doi:10.1007/s11306-021-01780-9

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, Valérie Copié, Brian P. Tripet, Leonardo B. Nogueira, Katiane O. P. C. Nogueira, Krzysztof Ossoliński, Adrian Arendowski, Tomasz Ruman
Metabolomics, Volume 17, pp 1-15; doi:10.1007/s11306-021-01779-2

Abstract:
Introduction Kidney cancer is one of the most frequently diagnosed and the most lethal urinary cancer. Despite advances in treatment, no specific biomarker is currently in use to guide therapeutic interventions. Objectives Major aim of this work was to perform metabolomic and elemental profiling of human kidney cancer and normal tissue and to evaluate cancer biomarkers. Methods Metabolic and elemental profiling of tumor and adjacent normal human kidney tissue from 50 patients with kidney cancer was undertaken using three different analytical methods. Results Five potential tissue biomarkers of kidney cancer were identified and quantified using with high-resolution nuclear magnetic resonance spectroscopy. The contents of selected chemical elements in tissues was analyzed using inductively coupled plasma optical emission spectrometry. Eleven mass spectral features differentiating between kidney cancer and normal tissues were detected using silver-109 nanoparticle enhanced steel target laser desorption/ionization mass spectrometry. Conclusions Our results, derived from the combination of ICP-OES, LDI MS and 1H NMR methods, suggest that tissue biomarkers identified herein appeared to have great potential for use in clinical prognosis and/or diagnosis of kidney cancer.
Salah Abdelrazig, Catharine A. Ortori, Michael Doherty, Ana M. Valdes, Victoria Chapman,
Metabolomics, Volume 17, pp 1-12; doi:10.1007/s11306-021-01778-3

Abstract:
Introduction Osteoarthritis (OA) is a common cause of disability in older people, but its aetiology is not yet fully understood. Biomarkers of OA from metabolomics studies have shown potential use in understanding the progression and pathophysiology of OA. Objectives To investigate possible surrogate biomarkers of knee OA in urine using metabolomics to contribute towards a better understanding of OA progression and possible targeted treatment. Method Liquid chromatography-high resolution mass spectrometry (LC-HRMS) was applied in a case–control approach to explore the possible metabolic differences between the urinary profiles of symptomatic knee OA patients (n = 74) (subclassified into inflammatory OA, n = 22 and non-inflammatory OA, n = 52) and non-OA controls (n = 68). Univariate, multivariate and pathway analyses were performed with a rigorous validation including cross-validation, permutation test, prediction and receiver operating characteristic curve to identify significantly altered metabolites and pathways in OA. Results OA datasets generated 7405 variables and multivariate analysis showed clear separation of inflammatory OA, but not non-inflammatory OA, from non-OA controls. Adequate cross-validation (R2Y = 0.874, Q2 = 0.465) was obtained. The prediction model and the ROC curve showed satisfactory results with a sensitivity of 88%, specificity of 71% and accuracy of 77%. 26 metabolites were identified as potential biomarkers of inflammatory OA using HMDB, authentic standards and/or MS/MS database. Conclusion Urinary metabolic profiles were altered in inflammatory knee OA subjects compared to those with non-inflammatory OA and non-OA controls. These altered profiles associated with perturbed activity of the TCA cycle, pyruvate and amino acid metabolism linked to inflammation, oxidative stress and collagen destruction. Of note, 2-keto-glutaramic acid level was > eightfold higher in the inflammatory OA patients compared to non-OA control, signalling a possible perturbation in glutamine metabolism related to OA progression.
Siriwat Boonchaisri, Simone Rochfort, Trevor Stevenson,
Published: 20 February 2021
Metabolomics, Volume 17, pp 1-17; doi:10.1007/s11306-021-01776-5

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Britta Spanier, Anne Laurençon, Anna Weiser, Nathalie Pujol, Shizue Omi, Aiko Barsch, Ansgar Korf, Sven W. Meyer, Jonathan J. Ewbank, Francesca Paladino, et al.
Metabolomics, Volume 17, pp 1-14; doi:10.1007/s11306-021-01775-6

Abstract:
Introduction Lipidomic profiling allows 100s if not 1000s of lipids in a sample to be detected and quantified. Modern lipidomics techniques are ultra-sensitive assays that enable the discovery of novel biomarkers in a variety of fields and provide new insight in mechanistic investigations. Despite much progress in lipidomics, there remains, as for all high throughput “omics” strategies, the need to develop strategies to standardize and integrate quality control into studies in order to enhance robustness, reproducibility, and usability of studies within specific fields and beyond. Objectives We aimed to understand how much results from lipid profiling in the model organism Caenorhabditis elegans are influenced by different culture conditions in different laboratories. Methods In this work we have undertaken an inter-laboratory study, comparing the lipid profiles of N2 wild type C. elegans and daf-2(e1370) mutants lacking a functional insulin receptor. Sample were collected from worms grown in four separate laboratories under standardized growth conditions. We used an UPLC-UHR-ToF–MS system allowing chromatographic separation before MS analysis. Results We found common qualitative changes in several marker lipids in samples from the individual laboratories. On the other hand, even in this controlled experimental system, the exact fold-changes for each marker varied between laboratories. Conclusion Our results thus reveal a serious limitation to the reproducibility of current lipid profiling experiments and reveal challenges to the integration of such data from different laboratories.
Thiago H. A. Vendramini, Henrique T. Macedo, Rafael V. A. Zafalon, Matheus V. Macegoza, Vivian Pedrinelli, Larissa W. Risolia, Fernanda M. M. Ocampos, Juliana T. Jeremias, Cristiana F. F. Pontieri, Eduardo Ferriolli, et al.
Published: 16 February 2021
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-020-01753-4

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, Kazutoshi Nishijima, Yosuke Yamada, Hiroaki Tanaka, Akiko Matsumoto, Jianglin Fan, Yoichi Uda, Hajime Tomatsu, Hiroyuki Yamamoto, Kenjiro Kami, et al.
Metabolomics, Volume 17, pp 1-14; doi:10.1007/s11306-021-01777-4

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Jia Liu, Junliang Yuan, Jingwei Zhao, Lin Zhang, Qiu Wang,
Metabolomics, Volume 17, pp 1-10; doi:10.1007/s11306-021-01774-7

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Nipun Saini, Manjot Virdee, Kaylee K. Helfrich, ,
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-021-01773-8

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Diana Cosovanu, Montserrat Llovera, Gemma Villorbina, Ramon Canela-Garayoa,
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-021-01771-w

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, Débora Cabral, Marcelo Maraschin, Miguel Rocha
Metabolomics, Volume 17, pp 1-12; doi:10.1007/s11306-021-01772-9

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, The FINNPEC Core Investigator Group, , Jenna Jokkala, Anton Klåvus, Seppo Heinonen, Seppo Auriola, Marko Lehtonen, Kati Hanhineva, Hannele Laivuori
Metabolomics, Volume 17, pp 1-12; doi:10.1007/s11306-020-01752-5

Abstract:
Introduction Maternal metabolism changes substantially during pregnancy. However, few studies have used metabolomics technologies to characterize changes across gestation. Objectives and methods We applied liquid chromatography–mass spectrometry (LC–MS) based non-targeted metabolomics to determine whether the metabolic profile of serum differs throughout the pregnancy between pre-eclamptic and healthy women in the FINNPEC (Finnish Genetics of Preeclampsia Consortium) Study. Serum samples were available from early and late pregnancy. Results Progression of pregnancy had large-scale effects to the serum metabolite profile. Altogether 50 identified metabolites increased and 49 metabolites decreased when samples of early pregnancy were compared to samples of late pregnancy. The metabolic signatures of pregnancy were largely shared in pre-eclamptic and healthy women, only urea, monoacylglyceride 18:1 and glycerophosphocholine were identified to be increased in the pre-eclamptic women when compared to healthy controls. Conclusions Our study highlights the need of large-scale longitudinal metabolomic studies in non-complicated pregnancies before more detailed understanding of metabolism in adverse outcomes could be provided. Our findings are one of the first steps for a broader metabolic understanding of the physiological changes caused by pregnancy per se.
Metabolomics, Volume 17, pp 1-18; doi:10.1007/s11306-020-01761-4

Abstract:
Introduction Wheat (Triticum aestivum) it is one of the most important staple food crops worldwide and represents an important resource for human nutrition. Besides starch, proteins and micronutrients wheat grains accumulate a highly diverse set of phytochemicals. Objectives This work aimed at the development and validation of an analytical workflow for comprehensive profiling of semi-polar phytochemicals in whole wheat grains. Method Reversed-phase ultra-high performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UHPLC/ESI-QTOFMS) was used as analytical platform. For annotation of metabolites accurate mass collision-induced dissociation mass spectra were acquired and interpreted in conjunction with literature data, database queries and analyses of reference compounds. Results Based on reversed-phase UHPLC/ESI-QTOFMS an analytical workflow for comprehensive profiling of semi-polar phytochemicals in whole wheat grains was developed. For method development the extraction procedure and the chromatographic separation were optimized. Using whole grains of eight wheat cultivars a total of 248 metabolites were annotated and characterized by chromatographic and tandem mass spectral data. Annotated metabolites comprise hydroquinones, hydroxycinnamic acid amides, flavonoids, benzoxazinoids, lignans and other phenolics as well as numerous primary metabolites such as nucleosides, amino acids and derivatives, organic acids, saccharides and B vitamin derivatives. For method validation, recovery rates and matrix effects were determined for ten exogenous model compounds. Repeatability and linearity were assessed for 39 representative endogenous metabolites. In addition, the accuracy of relative quantification was evaluated for six exogenous model compounds. Conclusions In conjunction with non-targeted and targeted data analysis strategies the developed analytical workflow was successfully applied to discern differences in the profiles of semi-polar phytochemicals accumulating in whole grains of eight wheat cultivars.
Naomi Inoue, , Emi Harada, Kumiko Sakai, Hisashi Narahara
Metabolomics, Volume 17, pp 1-7; doi:10.1007/s11306-021-01770-x

Abstract:
Introduction The field of assisted reproductive technology (ART) has significantly advanced; however, morphological evaluation remains as the chosen method of assessment of embryo quality. Objective We aimed to examine metabolic changes in embryo culture medium to develop a non-invasive method for evaluation of embryo quality. Methods We performed metabolic analysis of culture medium obtained from a single blastocyst cultured for freezing. Results In total, 187 (39.8%) of the 469 detectable organic acid metabolites were identified. A significant change (p < 0.05) was observed in eight metabolites between the good-quality and poor-quality embryo groups. Differences were observed in several metabolic pathways between the good-quality and poor-quality embryo groups. Metabolites that showed significant changes were primarily involved in the metabolism of branched-chain amino acids. Conclusion The quantification of metabolism in human embryos may assist in identification and selection of good-quality embryos with high rates of survival before freezing and implantation in conjunction with morphological classification. This may help to identify embryos with high rates of survival.
Hien Thi Thu Nguyen, , Vang Quy Le,
Metabolomics, Volume 17, pp 1-16; doi:10.1007/s11306-020-01767-y

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Correction
, David A. Hughes, Andrew J. Chetwynd, Amy E. Taylor, Andrew D. Southam, Andris Jankevics, Ralf J. M. Weber, Alix Groom, Warwick B. Dunn,
Metabolomics, Volume 17, pp 1-2; doi:10.1007/s11306-020-01765-0

Zackery W. Reavis, Nikhil Mirjankar, Srikant Sarangi, Stephen H. Boyle, Cynthia M. Kuhn, Wayne R. Matson, Michael A. Babyak, Samantha A. Matson, Ilene C. Siegler, Rima Kaddurah-Daouk, et al.
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-020-01757-0

The publisher has not yet granted permission to display this abstract.
Emily G. Armitage, Alan Barnes, Kieran Patrick, Janak Bechar, Matthew J. Harrison, Gareth G. Lavery, G. Ed Rainger, Christopher D. Buckley, Neil J. Loftus, Ian D. Wilson, et al.
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-020-01764-1

Abstract:
Introduction The Endosialin/CD248/TEM1 protein is expressed in adipose tissue and its expression increases with obesity. Recently, genetic deletion of CD248 has been shown to protect mice against atherosclerosis on a high fat diet. Objectives We investigated the effect of high fat diet feeding on visceral fat pads and circulating lipid profiles in CD248 knockout mice compared to controls. Methods From 10 weeks old, CD248−/− and +/+ mice were fed either chow (normal) diet or a high fat diet for 13 weeks. After 13 weeks the metabolic profiles and relative quantities of circulating lipid species were assessed using ultra high performance liquid chromatography-quadrupole time-of flight mass spectrometry (UHPLC–MS) with high resolution accurate mass (HRAM) capability. Results We demonstrate a specific reduction in the size of the perirenal fat pad in CD248−/− mice compared to CD248+/+, despite similar food intake. More strikingly, we identify significant, diet-dependent differences in the serum metabolic phenotypes of CD248 null compared to age and sex-matched wildtype control mice. Generalised protection from HFD-induced lipid accumulation was observed in CD248 null mice compared to wildtype, with particular reduction noted in the lysophosphatidylcholines, phosphatidylcholines, cholesterol and carnitine. Conclusions Overall these results show a clear and protective metabolic consequence of CD248 deletion in mice, implicating CD248 in lipid metabolism or trafficking and opening new avenues for further investigation using anti-CD248 targeting agents.
Karien Esterhuizen, J. Zander Lindeque, Shayne Mason, Francois H. Van Der Westhuizen, Richard J. Rodenburg, Paul De Laat, Jan A. M. Smeitink, Mirian C. H. Janssen,
Metabolomics, Volume 17, pp 1-16; doi:10.1007/s11306-020-01769-w

The publisher has not yet granted permission to display this abstract.
Metabolomics, Volume 17, pp 1-13; doi:10.1007/s11306-020-01759-y

Abstract:
Introduction Hyperinsulinaemia and insulin resistance (IR) are strongly associated with obesity and are forerunners of type 2 diabetes. Little is known about metabolic alterations separately associated with obesity, hyperinsulinaemia/IR and impaired glucose tolerance (IGT) in adolescents. Objectives To identify metabolic alterations associated with obesity, hyperinsulinaemia/IR and hyperinsulinaemia/IR combined with IGT in obese adolescents. Methods 81 adolescents were stratified into four groups based on body mass index (lean vs. obese), insulin responses (normal insulin (NI) vs. high insulin (HI)) and glucose responses (normal glucose tolerance (NGT) vs. IGT) after an oral glucose tolerance test (OGTT). The groups comprised: (1) healthy lean with NI and NGT, (2) obese with NI and NGT, (3) obese with HI and NGT, and (4) obese with HI and IGT. Targeted nuclear magnetic resonance-based metabolomics analysis was performed on fasting and seven post-OGTT plasma samples, followed by univariate and multivariate statistical analyses. Results Two groups of metabolites were identified: (1) Metabolites associated with insulin response level: adolescents with HI (groups 3–4) had higher concentrations of branched-chain amino acids and tyrosine, and lower concentrations of serine, glycine, myo-inositol and dimethylsulfone, than adolescents with NI (groups 1–2). (2) Metabolites associated with obesity status: obese adolescents (groups 2–4) had higher concentrations of acetylcarnitine, alanine, pyruvate and glutamate, and lower concentrations of acetate, than lean adolescents (group 1). Conclusions Obesity is associated with shifts in fat and energy metabolism. Hyperinsulinaemia/IR in obese adolescents is also associated with increased branched-chain and aromatic amino acids.
, Marta Zampino, Ruin Moaddel, Teresa K. Chen, Qu Tian, Luigi Ferrucci, Richard D. Semba
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-020-01762-3

The publisher has not yet granted permission to display this abstract.
, Line Skotte, Julie Courraud, Frank Geller, Sanne Gørtz, Jan Wohlfahrt, Mads Melbye, Arieh S. Cohen,
Published: 8 January 2021
Metabolomics, Volume 17, pp 1-10; doi:10.1007/s11306-020-01763-2

Abstract:
Introduction Infantile hypertrophic pyloric stenosis (IHPS) is caused by hypertrophy of the pyloric sphincter muscle. Objectives Since previous reports have implicated lipid metabolism, we aimed to (1) investigate associations between IHPS and a wide array of lipid-related metabolites in newborns, and (2) address whether detected differences in metabolite levels were likely to be driven by genetic differences between IHPS cases and controls or by differences in early life feeding patterns. Methods We used population-based random selection of IHPS cases and controls born in Denmark between 1997 and 2014. We randomly took dried blood spots of newborns from 267 pairs of IHPS cases and controls matched by sex and day of birth. We used a mixed-effects linear regression model to evaluate associations between 148 metabolites and IHPS in a matched case–control design. Results The phosphatidylcholine PC(38:4) showed significantly lower levels in IHPS cases (P = 4.68 × 10−8) as did six other correlated metabolites (four phosphatidylcholines, acylcarnitine AC(2:0), and histidine). Associations were driven by 98 case–control pairs born before 2009, when median age at sampling was 6 days. No association was seen in 169 pairs born in 2009 or later, when median age at sampling was 2 days. More IHPS cases than controls had a diagnosis for neonatal difficulty in feeding at breast (P = 6.15 × 10−3). Genetic variants known to be associated with PC(38:4) levels did not associate with IHPS. Conclusions We detected lower levels of certain metabolites in IHPS, possibly reflecting different feeding patterns in the first days of life.
, Siwat Plaisen, Sopacha Arayamethakorn, Prapatsorn Jitthiang, Wanilada Rungrassamee
Metabolomics, Volume 17, pp 1-6; doi:10.1007/s11306-020-01768-x

The publisher has not yet granted permission to display this abstract.
, E’Lysse A. Santana, Hans T. Alborn, Anna K. Block,
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-020-01739-2

The publisher has not yet granted permission to display this abstract.
, Debora F. B. Leite, Shirish Yakkundi, Lee A Gethings, Gregoire Thomas, Philip N. Baker, Louise C. Kenny, Jane A. English,
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-020-01740-9

Abstract:
Introduction Small for gestational age (SGA) may be associated with neonatal morbidity and mortality. Our understanding of the molecular pathways implicated is poor. Objectives Our aim was to determine the metabolic pathways involved in the pathophysiology of SGA and examine their variation between maternal biofluid samples. Methods Plasma (Cork) and urine (Cork, Auckland) samples were collected at 20 weeks’ gestation from nulliparous low-risk pregnant women participating in the SCOPE study. Women who delivered an SGA infant (birthweight < 10th percentile) were matched to controls (uncomplicated pregnancies). Metabolomics (urine) and lipidomics (plasma) analyses were performed using ultra performance liquid chromatography-mass spectrometry. Features were ranked based on FDR adjusted p-values from empirical Bayes analysis, and significant features putatively identified. Results Lipidomics plasma analysis revealed that 22 out of the 33 significantly altered lipids annotated were glycerophospholipids; all were detected in higher levels in SGA. Metabolomic analysis identified reduced expression of metabolites associated with detoxification (D-Glucuronic acid, Estriol-16-glucuronide), nutrient absorption and transport (Sulfolithocholic acid) pathways. Conclusions This study suggests higher levels of glycerophospholipids, and lower levels of specific urine metabolites are implicated in the pathophysiology of SGA. Further research is needed to confirm these findings in independent samples.
, Minnie Jacob, Xinyun Gu, Mai Abdel Jabar, Hicham Benabdelkamel, Imran Nizami, , ,
Metabolomics, Volume 17, pp 1-19; doi:10.1007/s11306-020-01760-5

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Ajay Kumar, Sheetal Patel, Devyani Bhatkar, ,
Metabolomics, Volume 17, pp 1-16; doi:10.1007/s11306-020-01755-2

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Loïc Mervant, , , , , Jean-François Martin, , Laurent Debrauwer
Metabolomics, Volume 17, pp 1-11; doi:10.1007/s11306-020-01758-z

The publisher has not yet granted permission to display this abstract.
Metabolomics, Volume 16, pp 1-10; doi:10.1007/s11306-020-01741-8

Abstract:
Introduction Metabolomics studies are not routine when quantifying amino acids (AA) in congenital heart disease (CHD). Objectives Comparative analysis of 24 AA in serum by traditional high-performance liquid chromatography (HPLC) based on ion exchange and ninhydrin derivatisation followed by photometry (PM) with ultra-high-performance liquid chromatography and phenylisothiocyanate derivatisation followed by tandem mass spectrometry (TMS); interpretation of findings in CHD patients and controls. Methods PM: Sample analysis as above (total run time, ~ 119 min). TMS: Sample analysis by AbsoluteIDQ® p180 kit assay (BIOCRATES Life Sciences AG, Innsbruck, Austria), which employs PITC derivatisation; separation of analytes on a Waters Acquity UHPLC BEH18 C18 reversed-phase column, using water and acetonitrile with 0.1% formic acid as the mobile phases; and quantification on a Triple-Stage Quadrupole tandem mass spectrometer (Thermo Fisher Scientific, Waltham, MA) with electrospray ionisation in the presence of internal standards (total run time, ~ 8 min). Calculation of coefficients of variation (CV) (for precision), intra- and interday accuracies, limits of detection (LOD), limits of quantification (LOQ), and mean concentrations. Results Both methods yielded acceptable results with regard to precision (CV < 10% PM, < 20% TMS), accuracies (< 10% PM, < 34% TMS), LOD, and LOQ. For both Fontan patients and controls AA concentrations differed significantly between methods, but patterns yielded overall were parallel. Conclusion Serum AA concentrations differ with analytical methods but both methods are suitable for AA pattern recognition. TMS is a time-saving alternative to traditional PM under physiological conditions as well as in patients with CHD. Trial registration number ClinicalTrials.gov Identifier NCT03886935, date of registration March 27th, 2019 (retrospectively registered).
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