Special Issue "Metabolomics 2016"

A special issue of Metabolites (ISSN 2218-1989).

Deadline for manuscript submissions: closed (20 December 2016)

Special Issue Editor

Guest Editor
Dr. Helen G. Gika

Laboratory of Forensic Medicine and Toxicology, School of Medicine, Aristotle University Thessaloniki, 54124 Greece
Website | E-Mail
Interests: bioanalysis of small molecules; metabolomics; human growth; healthy ageing; biomarker discovery; disease biomarkers; diagnostic/prognostic; patient stratification; food authenticity/geographical origin verification; investigation of gut microbiota host-guest interactions

Special Issue Information

Dear Colleagues,

This Special Issue will mainly consist of selected papers presented at the 4th Metabolomics Workshop (http://bioanalysis.web.auth.gr/metabolomics/). Papers applying metabolomics in life and plant/food/nutrition sciences are also welcomed on this special issue, selected examples include, but are not limited to:

  • Human growth, healthy ageing biomarker discovery
  • Disease biomarkers: diagnostic/prognostic, patient stratification
  • Food authenticity/geographical origin verification
  • Investigation of gut microbiota host-guest interactions

Dr. Helen G. Gika
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed open access quarterly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 850 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • LC-MS,
  • GC-MS, NMR
  • Statistical Analysis
  • Biomarker discovery
  • Disease biomarkers
  • Food authenticity
  • Gut microbiota host-guest interactions

Published Papers (5 papers)

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Research

Open AccessArticle Sample Preparation Strategies for the Effective Quantitation of Hydrophilic Metabolites in Serum by Multi-Targeted HILIC-MS/MS
Metabolites 2017, 7(2), 13; doi:10.3390/metabo7020013
Received: 30 December 2016 / Revised: 25 February 2017 / Accepted: 23 March 2017 / Published: 30 March 2017
Cited by 1 | PDF Full-text (1568 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The effect of endogenous interferences of serum in multi-targeted metabolite profiling HILIC-MS/MS analysis was investigated by studying different sample preparation procedures. A modified QuEChERS dispersive SPE protocol, a HybridSPE protocol, and a combination of liquid extraction with protein precipitation were compared to a
[...] Read more.
The effect of endogenous interferences of serum in multi-targeted metabolite profiling HILIC-MS/MS analysis was investigated by studying different sample preparation procedures. A modified QuEChERS dispersive SPE protocol, a HybridSPE protocol, and a combination of liquid extraction with protein precipitation were compared to a simple protein precipitation. Evaluation of extraction efficiency and sample clean-up was performed for all methods. SPE sorbent materials tested were found to retain hydrophilic analytes together with endogenous interferences, thus additional elution steps were needed. Liquid extraction was not shown to minimise matrix effects. In general, it was observed that a balance should be reached in terms of recovery, efficient clean-up, and sample treatment time when a wide range of metabolites are analysed. A quick step for removing phospholipids prior to the determination of hydrophilic endogenous metabolites is required, however, based on the results from the applied methods, further studies are needed to achieve high recoveries for all metabolites. Full article
(This article belongs to the Special Issue Metabolomics 2016)
Figures

Figure 1

Open AccessArticle Impact of Exercise and Aging on Rat Urine and Blood Metabolome. An LC-MS Based Metabolomics Longitudinal Study
Metabolites 2017, 7(1), 10; doi:10.3390/metabo7010010
Received: 2 January 2017 / Revised: 13 February 2017 / Accepted: 18 February 2017 / Published: 23 February 2017
Cited by 1 | PDF Full-text (2167 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Aging is an inevitable condition leading to health deterioration and death. Regular physical exercise can moderate the metabolic phenotype changes of aging. However, only a small number of metabolomics-based studies provide data on the effect of exercise along with aging. Here, urine and
[...] Read more.
Aging is an inevitable condition leading to health deterioration and death. Regular physical exercise can moderate the metabolic phenotype changes of aging. However, only a small number of metabolomics-based studies provide data on the effect of exercise along with aging. Here, urine and whole blood samples from Wistar rats were analyzed in a longitudinal study to explore metabolic alterations due to exercise and aging. The study comprised three different programs of exercises, including a life-long protocol which started at the age of 5 months and ended at the age of 21 months. An acute exercise session was also evaluated. Urine and whole blood samples were collected at different time points and were analyzed by LC-MS/MS (Liquid Chromatography–tandem Mass Spectrometry). Based on their metabolic profiles, samples from trained and sedentary rats were differentiated. The impact on the metabolome was found to depend on the length of exercise period with acute exercise also showing significant changes. Metabolic alterations due to aging were equally pronounced in sedentary and trained rats in both urine and blood analyzed samples. Full article
(This article belongs to the Special Issue Metabolomics 2016)
Figures

Figure 1

Open AccessArticle The Role of Sarcosine, Uracil, and Kynurenic Acid Metabolism in Urine for Diagnosis and Progression Monitoring of Prostate Cancer
Metabolites 2017, 7(1), 9; doi:10.3390/metabo7010009
Received: 29 December 2016 / Revised: 14 February 2017 / Accepted: 18 February 2017 / Published: 23 February 2017
PDF Full-text (1711 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The aim of this pilot study is to evaluate sarcosine, uracil, and kynurenic acid in urine as potential biomarkers in prostate cancer detection and progression monitoring. Sarcosine, uracil, and kynurenic acid were measured in urine samples of 32 prostate cancer patients prior to
[...] Read more.
The aim of this pilot study is to evaluate sarcosine, uracil, and kynurenic acid in urine as potential biomarkers in prostate cancer detection and progression monitoring. Sarcosine, uracil, and kynurenic acid were measured in urine samples of 32 prostate cancer patients prior to radical prostatectomy, 101 patients with increased prostate-specific antigen prior to ultrasonographically-guided prostatic biopsy collected before and after prostatic massage, and 15 healthy volunteers (controls). The results were related to histopathologic data, Gleason score, and PSA (Prostate Specific Antigen). Metabolites were measured after analysis of urine samples with Ultra-High Performance Liquid Chromatography coupled to tandem mass spectrometry (UPLC-MS/MS) instrumentation. Multivariate, nonparametric statistical tests including receiver operating characteristics analyses, one-way analysis of variance (Kruskal–Wallis test), parametric statistical analysis, and Pearson correlation, were performed to evaluate diagnostic performance. Decreased median sarcosine and kynurenic acid and increased uracil concentrations were observed for patients with prostate cancer compared to participants without malignancy. Results showed that there was no correlation between the concentration of the studied metabolites and the cancer grade (Gleason score <7 vs. ≥7) and the age of the patients. Evaluation of biomarkers by ROC (Receiving Operating Characteristics) curve analysis showed that differentiation of prostate cancer patients from participants without malignancy was not enhanced by sarcosine or uracil levels in urine. In contrast to total PSA values, kynurenic acid was found a promising biomarker for the detection of prostate cancer particularly in cases where collection of urine samples was performed after prostatic massage. Sarcosine and uracil in urine samples of patients with prostate cancer were not found as significant biomarkers for the diagnosis of prostate cancer. None of the three metabolites can be used reliably for monitoring the progress of the disease. Full article
(This article belongs to the Special Issue Metabolomics 2016)
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Figure 1

Open AccessArticle QSRR Modeling for Metabolite Standards Analyzed by Two Different Chromatographic Columns Using Multiple Linear Regression
Metabolites 2017, 7(1), 7; doi:10.3390/metabo7010007
Received: 21 December 2016 / Accepted: 5 February 2017 / Published: 9 February 2017
PDF Full-text (178 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Modified quantitative structure retention relationships (QSRRs) are proposed and applied to describe two retention data sets: A set of 94 metabolites studied by a hydrophilic interaction chromatography system under organic content gradient conditions and a set of tryptophan and its major metabolites analyzed
[...] Read more.
Modified quantitative structure retention relationships (QSRRs) are proposed and applied to describe two retention data sets: A set of 94 metabolites studied by a hydrophilic interaction chromatography system under organic content gradient conditions and a set of tryptophan and its major metabolites analyzed by a reversed-phase chromatographic system under isocratic as well as pH and/or simultaneous pH and organic content gradient conditions. According to the proposed modification, an additional descriptor is added to a conventional QSRR expression, which is the analyte retention time, tR(R), measured under the same elution conditions, but in a second chromatographic column considered as a reference one. The 94 metabolites were studied on an Amide column using a Bare Silica column as a reference. For the second dataset, a Kinetex EVO C18 and a Gemini-NX column were used, where each of them was served as a reference column of the other. We found in all cases a significant improvement of the performance of the QSRR models when the descriptor tR(R) was considered. Full article
(This article belongs to the Special Issue Metabolomics 2016)
Open AccessArticle Effects of Different Exercise Modes on the Urinary Metabolic Fingerprint of Men with and without Metabolic Syndrome
Metabolites 2017, 7(1), 5; doi:10.3390/metabo7010005
Received: 27 December 2016 / Revised: 20 January 2017 / Accepted: 24 January 2017 / Published: 26 January 2017
Cited by 3 | PDF Full-text (3018 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Exercise is important in the prevention and treatment of the metabolic syndrome (MetS), a cluster of risk factors that raises morbidity. Metabolomics can facilitate the optimization of exercise prescription. This study aimed to investigate whether the response of the human urinary metabolic fingerprint
[...] Read more.
Exercise is important in the prevention and treatment of the metabolic syndrome (MetS), a cluster of risk factors that raises morbidity. Metabolomics can facilitate the optimization of exercise prescription. This study aimed to investigate whether the response of the human urinary metabolic fingerprint to exercise depends on the presence of MetS or exercise mode. Twenty-three sedentary men (MetS, n = 9, and Healthy, n = 14) completed four trials: resting, high-intensity interval exercise (HIIE), continuous moderate-intensity exercise (CME), and resistance exercise (RE). Urine samples were collected pre-exercise and at 2, 4, and 24 h for targeted analysis by liquid chromatography-mass spectrometry. Time exerted the strongest differentiating effect, followed by exercise mode and health status. The greatest changes were observed in the first post-exercise samples, with a gradual return to baseline at 24 h. RE caused the greatest responses overall, followed by HIIE, while CME had minimal effect. The metabolic fingerprints of the two groups were separated at 2 h, after HIIE and RE; and at 4 h, after HIIE, with evidence of blunted response to exercise in MetS. Our findings show diverse responses of the urinary metabolic fingerprint to different exercise modes in men with and without metabolic syndrome. Full article
(This article belongs to the Special Issue Metabolomics 2016)
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