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Related Articles Combining NMR and LC-MS Using Backward Variable Elimination: Metabolomics Analysis of Colorectal Cancer, Polyps, and Healthy Controls. Anal Chem. 2016 Jul 20; Authors: Deng L, Gu H, Zhu J, Gowda GA, Djukovic D, Chiorean GE, Raftery D Abstract Both nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) play important roles in metabolomics. The complementary features of NMR and MS make their combination very attractive; however, currently the vast majority of metabolomics studies use either NMR or MS separately, and variable selection that combines NMR and MS for biomarker identification and statistical modeling is still not well developed. In this study focused on methodology, we developed a backward variable elimination partial least squares discriminant analysis algorithm embedded with Monte Carlo cross validation (MCCV-BVE-PLSDA), to combine NMR and targeted liquid chromatography (LC)-MS data. Using the metabolomics analysis of serum for the detection of colorectal cancer (CRC) and polyps as an example, we demonstrate that variable selection is vitally important in combining NMR and MS data. The combined approach was better than using NMR or LC-MS data alone in providing significantly improved predictive accuracy in all the pairwise comparisons among CRC, polyps, and healthy controls. Using this approach, we selected a subset of metabolites responsible for the improved separation for each pairwise comparison, and we achieved a comprehensive profile of altered metabolite levels, including those in glycolysis, the TCA cycle, amino acid metabolism, and other pathways that were related to CRC and polyps. MCCV-BVE-PLSDA is straightforward, easy to implement, and is highly useful to study the contribution of each individual variable to multivariate statistical models. Based on these results, we recommend using an appropriate variable selection step, such as MCCV-BVE-PLSDA, when analyzing data from multiple analytical platforms to obtain improved statistical performance and a more accurate biological interpretation, especially for biomarker discovery. Importantly, the approach described here is relatively universal and can be easily expanded to combine other analytical technologies. PMID: 27437783 [PubMed - as supplied by publisher]

Related Articles Statistical health monitoring applied to a metabolomic study of experimental hepatocarcinogenesis: An alternative approach to supervised methods for the identification of false positives. Anal Chem. 2016 Jul 20; Authors: Del Carratore F, Lussu M, Kowalik MA, Perra A, Griffin JL, Atzori L, Grosso M Abstract In a typical metabolomics experiment, two or more conditions (e.g. treated vs untreated) are compared in order to investigate the potential differences in the metabolic profiles. When dealing with complex biological systems, a two class classification is often unsuitable, since it does not consider the unpredictable differences between samples (e.g. non responder to treatment). An approach based on the Statistical Process Control (SPC), able to monitor the response to a treatment or the development of a pathological condition, is here proposed. Such approach has been applied to an experimental hepatocarcinogenesis model to discover early individual metabolic variations associated with a different response to the treatment. Liver study was performed by NMR spectroscopy followed by multivariate statistical analysis. By this approach, we were able 1) to identify which treated samples have a significant different metabolic profile compared to the control, in fact, as confirmed by immunohistochemistry the method correctly classified 7 responders and 3 non-responders amongst the 10 treated animals; 2) to recognize for each individual sample the metabolites out of control, such as e.g. glutathione, acetate, betaine and phosphocholine. The first point could be used for classification purposes, the second one for a better understanding of the mechanisms underlying the early phase of carcinogenesis. The statistical control approach can be used for diagnosis (e.g. healthy vs pathological, responder vs non responder) and for generating an individual metabolic profile, leading to a better understanding of the individual pathological processes and to a personalized diagnosis and therapy. PMID: 27437557 [PubMed - as supplied by publisher]

Related Articles A metabolic profile in Ruditapes philippinarum associated with growth-promoting effects of alginate hydrolysates. Sci Rep. 2016;6:29923 Authors: Yamasaki Y, Taga S, Kishioka M, Kawano S Abstract The aim of this study is to demonstrate the growth-promoting effect of alginate hydrolysates (AHs) on the Manila clam Ruditapes philippinarum, and to verify the physiological change occurring within a living R. philippinarum stimulated by AHs. We show that growth of clams was dramatically promoted by supplementing a diet of the diatom Chaetoceros neogracile with AHs at 4 mg/mL. Furthermore, metabolomics indicates that each state of starvation, food satiation, and sexual maturation have a characteristic pattern. In the groups given AHs in addition to C. neogracile in particular, excess carbohydrate was actively utilized for the development of reproductive tissue. In contrast, it appeared that clams in the groups given C. neogracile only were actively growing, utilizing their adequate carbohydrate resources. Meanwhile, the unfed groups have slowed growth because of the lack of an energy source. Hence, supplementation of AHs in addition to the algal diet may be an inexpensive way to shorten the rearing period of R. philippinarum. Moreover, metabolomics can evaluate the growth condition of R. philippinarum in a comprehensive way, and this approach is crucially important for not only the development of a mass culture method but also for the conservation of the clam resource in the field. PMID: 27436591 [PubMed - in process]

Related Articles Preterm neonatal urinary renal developmental and acute kidney injury metabolomic profiling: an exploratory study. Pediatr Nephrol. 2016 Jul 19; Authors: Mercier K, McRitchie S, Pathmasiri W, Novokhatny A, Koralkar R, Askenazi D, Brophy PD, Sumner S Abstract BACKGROUND: Acute kidney injury (AKI) staging has been developed in the adult and pediatric populations, but these do not yet exist for the neonatal population. Metabolomics was utilized to uncover biomarkers of normal and AKI-associated renal function in preterm infants. The study comprised 20 preterm infants with an AKI diagnosis who were matched by gestational age and gender to 20 infants without an AKI diagnosis. METHODS: Urine samples from pre-term newborn infants collected on day 2 of life were analyzed using broad-spectrum nuclear magnetic resonance (NMR) metabolomics. Multivariate analysis methods were used to identify metabolite profiles that differentiated AKI and no AKI, and to identify a metabolomics profile correlating with gestational age in infants with and without AKI. RESULTS: There was a clear distinction between the AKI and no-AKI profiles. Two previously identified biomarkers of AKI, hippurate and homovanillate, differentiated AKI from no-AKI profiles. Pathway analysis revealed similarities to cholinergic neurons, prenatal nicotine exposure on pancreatic β cells, and amitraz-induced inhibition of insulin secretion. Additionally, a pH difference was noted. Both pH and the metabolites were found to be associated with AKI; however, only the metabotype was a significant predictor of AKI. Pathways for the no-AKI group that correlated uniquely with gestational age included aminoacyl-t-RNA biosynthesis, whereas pathways in the AKI group yielded potential metabolite changes in pyruvate metabolism. CONCLUSIONS: Metabolomics was able to differentiate the urinary profiles of neonates with and without an AKI diagnosis and metabolic developmental profiles correlated with gestational age. Further studies in larger cohorts are needed to validate these results. PMID: 27435284 [PubMed - as supplied by publisher]

Related Articles Recent applications of NMR in food and dietary studies. J Sci Food Agric. 2016 Jul 20; Authors: Ramakrishnan V, Luthria DL Abstract Over the last decade, a wide variety of new foods have been introduced into the global market place, many with health benefits that exceed those of traditional foods. Simultaneously, a wide range of analytical technologies have evolved that allow greater capability for the determination of food composition. Thus, the world is being offered an unprecedented number of healthful foods and an unprecedented ability to characterize these foods. Nuclear magnetic resonance (NMR), traditionally a research tool used for structural elucidation, is now being used frequently for metabolomics and chemical fingerprinting. Its stability and inherent ease of quantification have been exploited extensively to identify and quantify bioactive components in foods and dietary supplements. In addition, NMR fingerprints have been used to differentiate cultivars, evaluate sensory properties of food, and investigate the influence of growing conditions on food crops. Here we review the latest applications of NMR in food analysis. PMID: 27435122 [PubMed - as supplied by publisher]

Related Articles Training in metabolomics research. I. Designing the experiment, collecting and extracting samples and generating metabolomics data. J Mass Spectrom. 2016 Jul;51(7):ii-iii Authors: Barnes S, Benton HP, Casazza K, Cooper SJ, Cui X, Du X, Engler JA, Kabarowski JH, Li S, Pathmasiri W, Prasain JK, Renfrow MB, Tiwari HK Abstract Metabolomics is perhaps the most challenging of the -omics fields, given the complexity of an organism's metabolome and the rapid rate at which it changes. When one sets out to study metabolism there are numerous dynamic variables that can influence metabolism that must be considered. Recognizing the experimental challenges confronting researchers who undertake metabolism studies, workshops like the one at University of Alabama at Birmingham have been established to offer instructional guidance. A summary of the UAB course training materials is being published as a two-part Special Feature Tutorial. In this month's Part I the authors discuss details of good experimental design and sample collection and handling. In an upcoming Part II, the authors discuss in detail the various aspects of data analysis. PMID: 27434812 [PubMed - in process]

Related Articles Training in metabolomics research. I. Designing the experiment, collecting and extracting samples and generating metabolomics data. J Mass Spectrom. 2016 Jul;51(7):461-75 Authors: Barnes S, Benton HP, Casazza K, Cooper SJ, Cui X, Du X, Engler J, Kabarowski JH, Li S, Pathmasiri W, Prasain JK, Renfrow MB, Tiwari HK Abstract The study of metabolism has had a long history. Metabolomics, a systems biology discipline representing analysis of known and unknown pathways of metabolism, has grown tremendously over the past 20 years. Because of its comprehensive nature, metabolomics requires careful consideration of the question(s) being asked, the scale needed to answer the question(s), collection and storage of the sample specimens, methods for extraction of the metabolites from biological matrices, the analytical method(s) to be employed and the quality control of the analyses, how collected data are correlated, the statistical methods to determine metabolites undergoing significant change, putative identification of metabolites and the use of stable isotopes to aid in verifying metabolite identity and establishing pathway connections and fluxes. The National Institutes of Health Common Fund Metabolomics Program was established in 2012 to stimulate interest in the approaches and technologies of metabolomics. To deliver one of the program's goals, the University of Alabama at Birmingham has hosted an annual 4-day short course in metabolomics for faculty, postdoctoral fellows and graduate students from national and international institutions. This paper is the first part of a summary of the training materials presented in the course to be used as a resource for all those embarking on metabolomics research. The complete set of training materials including slide sets and videos can be viewed at http://www.uab.edu/proteomics/metabolomics/workshop/workshop_june_2015.php. Copyright © 2016 John Wiley & Sons, Ltd. PMID: 27434804 [PubMed - in process]

Related Articles Metabolic Profiles of Obesity in American Indians: The Strong Heart Family Study. PLoS One. 2016;11(7):e0159548 Authors: Zhao Q, Zhu Y, Best LG, Umans JG, Uppal K, Tran VT, Jones DP, Lee ET, Howard BV, Zhao J Abstract Obesity is a typical metabolic disorder resulting from the imbalance between energy intake and expenditure. American Indians suffer disproportionately high rates of obesity and diabetes. The goal of this study is to identify metabolic profiles of obesity in 431 normoglycemic American Indians participating in the Strong Heart Family Study. Using an untargeted liquid chromatography-mass spectrometry, we detected 1,364 distinct m/z features matched to known compounds in the current metabolomics databases. We conducted multivariate analysis to identify metabolic profiles for obesity, adjusting for standard obesity indicators. After adjusting for covariates and multiple testing, five metabolites were associated with body mass index and seven were associated with waist circumference. Of them, three were associated with both. Majority of the obesity-related metabolites belongs to lipids, e.g., fatty amides, sphingolipids, prenol lipids, and steroid derivatives. Other identified metabolites are amino acids or peptides. Of the nine identified metabolites, five metabolites (oleoylethanolamide, mannosyl-diinositol-phosphorylceramide, pristanic acid, glutamate, and kynurenine) have been previously implicated in obesity or its related pathways. Future studies are warranted to replicate these findings in larger populations or other ethnic groups. PMID: 27434237 [PubMed - in process]

Related Articles Biochemical reconstitution of TET1-TDG-BER-dependent active DNA demethylation reveals a highly coordinated mechanism. Nat Commun. 2016;7:10806 Authors: Weber AR, Krawczyk C, Robertson AB, Kuśnierczyk A, Vågbø CB, Schuermann D, Klungland A, Schär P Abstract Cytosine methylation in CpG dinucleotides is an epigenetic DNA modification dynamically established and maintained by DNA methyltransferases and demethylases. Molecular mechanisms of active DNA demethylation began to surface only recently with the discovery of the 5-methylcytosine (5mC)-directed hydroxylase and base excision activities of ten-eleven translocation (TET) proteins and thymine DNA glycosylase (TDG). This implicated a pathway operating through oxidation of 5mC by TET proteins, which generates substrates for TDG-dependent base excision repair (BER) that then replaces 5mC with C. Yet, direct evidence for a productive coupling of TET with BER has never been presented. Here we show that TET1 and TDG physically interact to oxidize and excise 5mC, and proof by biochemical reconstitution that the TET-TDG-BER system is capable of productive DNA demethylation. We show that the mechanism assures a sequential demethylation of symmetrically methylated CpGs, thereby avoiding DNA double-strand break formation but contributing to the mutability of methylated CpGs. PMID: 26932196 [PubMed - indexed for MEDLINE]

Related Articles (1)H NMR metabolomic profiling of the blue crab (Callinectes sapidus) from the Adriatic Sea (SE Italy): A comparison with warty crab (Eriphia verrucosa), and edible crab (Cancer pagurus). Food Chem. 2016 Apr 1;196:601-9 Authors: Zotti M, De Pascali SA, Del Coco L, Migoni D, Carrozzo L, Mancinelli G, Fanizzi FP Abstract The metabolomic profile of blue crab (Callinectes sapidus) captured in the Acquatina lagoon (SE Italy) was compared to an autochthonous (Eriphia verrucosa) and to a commercial crab species (Cancer pagurus). Both lipid and aqueous extracts of raw claw muscle were analyzed by (1)H NMR spectroscopy and MVA (multivariate data analysis). Aqueous extracts were characterized by a higher inter-specific discriminating power compared to lipid fractions. Specifically, higher levels of glutamate, alanine and glycine characterized the aqueous extract of C. sapidus, while homarine, lactate, betaine and taurine characterized E. verrucosa and C. pagurus. On the other hand, only the signals of monounsaturated fatty acids distinguished the lipid profiles of the three crab species. These results support the commercial exploitation and the integration of the blue crab in human diet of European countries as an healthy and valuable seafood. PMID: 26593533 [PubMed - indexed for MEDLINE]

Related Articles Application of 1H NMR spectroscopy-based metabonomics to feces of cervical cancer patients with radiation-induced acute intestinal symptoms. Radiother Oncol. 2015 Nov;117(2):294-301 Authors: Chai Y, Wang J, Wang T, Yang Y, Su J, Shi F, Wang J, Zhou X, He B, Ma H, Liu Z Abstract OBJECTIVE: Radiation-induced acute intestinal symptoms (RIAISs) are a common complication of radiotherapy for cervical cancer. The aim of this study was to use (1)H nuclear magnetic resonance ((1)H NMR) combined with chemometric analysis to develop a metabolic profile of patients with RIAISs. METHODS: Fecal samples were collected from 66 patients with cervical cancer before and after pelvic radiotherapy. After radiotherapy, RIAISs occurred in eleven patients. We selected another 11 patients from participants without RIAISs whose age, stage, histological type and treatment methods are matched with RIAIS patients as the control group. (1)H NMR spectroscopy combined with multivariate pattern recognition analysis was used to generate metabolic profile data, as well as to establish a RIAIS-specific metabolic phenotype. RESULTS: Orthogonal partial least-squares discriminant analysis was used to distinguish samples between the pre- and post-radiotherapy RIAIS patients and between RIAIS patients and controls. Fecal samples from RIAIS patients after pelvic radiotherapy were characterized by increased concentrations of α-ketobutyrate, valine, uracil, tyrosine, trimethylamine N-oxide, phenylalanine, lysine, isoleucine, glutamine, creatinine, creatine, bile acids, aminohippurate, and alanine, accompanied by reduced concentrations of α-glucose, n-butyrate, methylamine, and ethanol relative to samples from RIAIS patients before pelvic radiotherapy, while in RIAIS patients relative to controls, trimethylamine, n-butyrate, fumarate and acetate were down-regulated and valine, TMAO, taurine, phenylalanine, lactate, isoleucine and creatinine were up-regulated. CONCLUSIONS: We obtained the metabolic profile of RIAIS patients from fecal samples using NMR-based metabonomics. This profile has the potential to be developed into a novel clinical tool for RIAIS diagnosis or therapeutic monitoring, and could contribute to an improved understanding of the disease mechanism. However, because of the limitations of methods, technique, bacterial contamination of feces and small sample size, further research and verification are needed. PMID: 26277430 [PubMed - indexed for MEDLINE]

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Related Articles Response of Degarelix treatment in human prostate cancer monitored by HR-MAS (1)H NMR spectroscopy. Metabolomics. 2016;12:120 Authors: Madhu B, Shaw GL, Warren AY, Neal DE, Griffiths JR Abstract INTRODUCTION: The androgen receptor (AR) is the master regulator of prostate cancer cell metabolism. Degarelix is a novel gonadotrophin-releasing hormone blocker, used to decrease serum androgen levels in order to treat advanced human prostate cancer. Little is known of the rapid metabolic response of the human prostate cancer tissue samples to the decreased androgen levels. OBJECTIVES: To investigate the metabolic responses in benign and cancerous tissue samples from patients after treatment with Degarelix by using HRMAS (1)H NMR spectroscopy. METHODS: Using non-destructive HR-MAS (1)H NMR spectroscopy we analysed the metabolic changes induced by decreased AR signalling in human prostate cancer tissue samples. Absolute concentrations of the metabolites alanine, lactate, glutamine, glutamate, citrate, choline compounds [t-choline = choline + phosphocholine (PC) + glycerophosphocholine (GPC)], creatine compounds [t-creatine = creatine (Cr) + phosphocreatine (PCr)], taurine, myo-inositol and polyamines were measured in benign prostate tissue samples (n = 10), in prostate cancer specimens from untreated patients (n = 7) and prostate cancer specimens from patients treated with Degarelix (n = 6). RESULTS: Lactate, alanine and t-choline concentrations were significantly elevated in high-grade prostate cancer samples when compared to benign samples in untreated patients. Decreased androgen levels resulted in significant decreases of lactate and t-choline concentrations in human prostate cancer biopsies. CONCLUSIONS: The reduced concentrations of lactate and t-choline metabolites due to Degarelix could in principle be monitored by in vivo (1)H MRS, which suggests that it would be possible to monitor the effects of physical or chemical castration in patients by that non-invasive method. PMID: 27429605 [PubMed - as supplied by publisher]

Related Articles Metabotyping human endometrioid endometrial adenocarcinoma reveals an implication of endocannabinoid metabolism. Oncotarget. 2016 Jul 13; Authors: Jové M, Gatius S, Yeramian A, Portero-Otin M, Eritja N, Santacana M, Colas E, Ruiz M, Pamplona R, Matias-Guiu X Abstract 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. PMID: 27429042 [PubMed - as supplied by publisher]

Related Articles Metabolomics Provides Quality Characterization of Commercial Gochujang (Fermented Pepper Paste). Molecules. 2016;21(7) Authors: Lee GM, Suh DH, Jung ES, Lee CH Abstract To identify the major factors contributing to the quality of commercial gochujang (fermented red pepper paste), metabolites were profiled by mass spectrometry. In principal component analysis, cereal type (wheat, brown rice, and white rice) and species of hot pepper (Capsicum annuum, C. annuum cv. Chung-yang, and C. frutescens) affected clustering patterns. Relative amino acid and citric acid levels were significantly higher in wheat gochujang than in rice gochujang. Sucrose, linoleic acid, oleic acid, and lysophospholipid levels were high in brown-rice gochujang, whereas glucose, maltose, and γ-aminobutyric acid levels were high in white-rice gochujang. The relative capsaicinoid and luteolin derivative contents in gochujang were affected by the hot pepper species used. Gochujang containing C. annuum cv. Chung-yang and C. frutescens showed high capsaicinoid levels. The luteolin derivative level was high in gochujang containing C. frutescens. These metabolite variations in commercial gochujang may be related to different physicochemical phenotypes and antioxidant activity. PMID: 27428946 [PubMed - as supplied by publisher]

Related Articles Recovery of trees from drought depends on belowground sink control. Nat Plants. 2016;2:16111 Authors: Hagedorn F, Joseph J, Peter M, Luster J, Pritsch K, Geppert U, Kerner R, Molinier V, Egli S, Schaub M, Liu JF, Li M, Sever K, Weiler M, Siegwolf RT, Gessler A, Arend M Abstract Climate projections predict higher precipitation variability with more frequent dry extremes(1). CO2 assimilation of forests decreases during drought, either by stomatal closure(2) or by direct environmental control of sink tissue activities(3). Ultimately, drought effects on forests depend on the ability of forests to recover, but the mechanisms controlling ecosystem resilience are uncertain(4). Here, we have investigated the effects of drought and drought release on the carbon balances in beech trees by combining CO2 flux measurements, metabolomics and (13)CO2 pulse labelling. During drought, net photosynthesis (AN), soil respiration (RS) and the allocation of recent assimilates below ground were reduced. Carbohydrates accumulated in metabolically resting roots but not in leaves, indicating sink control of the tree carbon balance. After drought release, RS recovered faster than AN and CO2 fluxes exceeded those in continuously watered trees for months. This stimulation was related to greater assimilate allocation to and metabolization in the rhizosphere. These findings show that trees prioritize the investment of assimilates below ground, probably to regain root functions after drought. We propose that root restoration plays a key role in ecosystem resilience to drought, in that the increased sink activity controls the recovery of carbon balances. PMID: 27428669 [PubMed - as supplied by publisher]

Related Articles Different metabolite profile and metabolic pathway with leaves and roots in response to boron deficiency at the initial stage of citrus rootstock growth. Plant Physiol Biochem. 2016 Jul 9;108:121-131 Authors: Dong X, Liu G, Wu X, Lu X, Yan L, Muhammad R, Shah A, Wu L, Jiang C Abstract Boron (B) is a microelement required for higher plants, and B deficiency has serious negative effect on metabolic processes. We concentrated on the changes in metabolite profiles of trifoliate orange leaves and roots as a consequence of B deficiency at the initial stage of growth by gas chromatography-mass spectrometry (GC-MS)-based metabolomics. Enlargement and browning of root tips were observed in B-deficient plants, while any obvious symptom was not recorded in the leaves after 30 days of B deprivation. The distinct patterns of alterations in metabolites observed in leaves and roots due to B deficiency suggest the presence of specific organ responses to B starvation. The accumulation of soluble sugars was occurred in leaves, which may be attributed to down-regulated pentose phosphate pathway (PPP) and amino acid biosynthesis under B deficiency, while the amount of most amino acids in roots was increased, indicating that the effects of B deficiency on amino acids metabolism in trifoliate orange may be a consequence of disruptions in root tissues and decreased protein biosynthesis. Several important products of shikimate pathway were also significantly affected by B deficiency, which may be related to abnormal growth of roots induced by B deficiency. Conclusively, our results revealed a global perspective of the discriminative metabolism responses appearing between B-deprived leaves and roots and provided new insight into the relationship between B deficiency symptom in roots and the altered amino acids profiling and shikimate pathway induced by B deficiency during seedling establishment. PMID: 27428366 [PubMed - as supplied by publisher]

Related Articles "Omics" Prospective Monitoring of Bariatric Surgery: Roux-En-Y Gastric Bypass Outcomes Using Mixed-Meal Tolerance Test and Time-Resolved (1)H NMR-Based Metabolomics. OMICS. 2016 Jul;20(7):415-423 Authors: Lopes TI, Geloneze B, Pareja JC, Calixto AR, Ferreira MM, Marsaioli AJ Abstract Roux-en-Y gastric bypass (RYGB) surgery goes beyond weight loss to induce early beneficial hormonal changes that favor glycemic control. In this prospective study, ten obese subjects diagnosed with type 2 diabetes underwent bariatric surgery. Mixed-meal tolerance test was performed before and 12 months after RYGB, and the outcomes were investigated by a time-resolved hydrogen nuclear magnetic resonance ((1)H NMR)-based metabolomics. To the best of our knowledge, no previous omics-driven study has used time-resolved (1)H NMR-based metabolomics to investigate bariatric surgery outcomes. Our results presented here show a significant decrease in glucose levels after bariatric surgery (from 159.80 ± 61.43 to 100.00 ± 22.94 mg/dL), demonstrating type 2 diabetes remission (p < 0.05). The metabolic profile indicated lower levels of lactate, alanine, and branched chain amino acids for the operated subject at fasting state after the surgery. However, soon after food ingestion, the levels of these metabolites increased faster in operated than in nonoperated subjects. The lipoprotein profile achieved before and after RYGB at fasting was also significantly different, but converging 180 min after food ingestion. For example, the very low-density lipoprotein, low-density lipoprotein, N-acetyl-glycoproteins, and unsaturated lipid levels decreased after RYGB, while phosphatidylcholine and high-density lipoprotein increased. This study provides important insights on RYGB surgery and attendant type 2 diabetes outcomes using an "omics" systems science approach. Further research on metabolomic correlates of RYGB surgery in larger study samples is called for. PMID: 27428253 [PubMed - as supplied by publisher]

Related Articles Prader Willi Syndrome: Genetics, Metabolomics, Hormonal Function, and New Approaches to Therapy. Adv Pediatr. 2016 Aug;63(1):47-77 Authors: Irizarry KA, Miller M, Freemark M, Haqq AM PMID: 27426895 [PubMed - in process]

Related Articles Characterization of the phytochelatins and their derivatives in rice exposed to cadmium based on high-performance liquid chromatography coupled with data-dependent hybrid linear ion trap orbitrap mass spectrometry. Rapid Commun Mass Spectrom. 2016 Jul 17; Authors: Mou RX, Cao ZY, Lin XY, Wu L, Cao ZZ, Zhu ZW, Chen MX Abstract RATIONALE: The identification and quantification of phytochelatins (PCs) and their derivatives are important to understand their roles in plant growth and development. A method couplling high-performance liquid chromatography with hybrid linear ion trap Orbitrap mass spectrometry (HPLC-LTQ/Orbitrap) was developed to screen PCs that have the same characteristic product ions. This approach was used for the fragmentation pattern analysis of glutathione (GSH) and PC standards, which allowed identification of the fragmentation pathways of their derivatives isolated from rice roots, stems and leaves. METHODS: In this study, we developed a method to detect and identify PCs and their derivatives in rice based on HPLC/LTQ-Orbitrap. Spectrum interpretation and MS/MS fragmentation patterns of PCs provide sufficient information to discover the novel PC derivatives. This approach includes precursor ion scan and product ion scan to detect and character the novel PC derivatives. RESULTS: Based on HCD-MS/MS fragmentation patterns, four PCs and 18 PC derivatives were identified. Among them, seven PC derivatives, i.e., iso-PC2 (Asn), iso-PC3 (Asn), iso-PC2 (Cys), des-γGlu-iso-PC3 (Ser), des-Cys-iso-PC2 (Glu), des-Cys-iso-PC3 (Glu) and des-Cys-iso-PC4 (Glu), have not been previously reported. This method was validated by profiling GSH, PCs and PC derivatives in rice. Preliminary results revealed that PCs and their derivatives, except GSH, are markedly induced by Cd treatment. CONCLUSIONS: The HPLC/LTQ-Orbitrap method was successfully developed for the identification of PCs and their derivatives. The C-terminal linked to Gly is replaced with Glu, Ser, Asn, Gln or Cys, thereby creating a family of chemicals that share several structural properties. This technique could be particularly useful for investigators studying plant metabolomics. PMID: 27426698 [PubMed - as supplied by publisher]