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Applied Sciences
Special Issues
Application of Spectroscopic Techniques to Metabolomic Research
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Application of Spectroscopic Techniques to Metabolomic Research

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Applied Biosciences and Bioengineering".

Deadline for manuscript submissions: closed (31 December 2020) | Viewed by 6411

Special Issue Editors

Dr. Giuseppina Andreotti

E-Mail Website
Guest Editor
Institute of Biomolecular Chemistry, National Research Council, Pozzuoli, Naples, Italy
Interests: pharmacological chaperones; glycosyl hydrolases; metabolomic; NMR; protein expression; protein purification; enzymatic assay; peptide/protein structure; thermal shift assay; Fabry disease; PMM2-CDG
Special Issues, Collections and Topics in MDPI journals
Dr. Debora Paris

E-Mail Website
Guest Editor
Institute of Biomolecular Chemistry, National Research Council, Pozzuoli (Naples), Italy
Interests: NMR spectroscopy; metabolomics; metabolic profiling; biomarker; multivariate statistical data analysis; data prediction; dataset integration; multi-omics regression; pathway analysis

Special Issue Information

Dear Colleagues,

Metabolomics is no longer an emerging technology; it is an established powerful approach that can be extended to a wide range of biological investigations. Even if the study of small molecules is more ancient than that of large bio-molecules, its application in terms of whole metabolome is quite recent. It is, in fact, the youngest amongst the “omics” tools.

NMR- and MS-based metabolomics strategies allow for the contemporary analysis (both qualitative and quantitative) of the ‘metabolic profile’, including many metabolites (hundreds to thousands) within (at least in principle) any kind of biological specimens (bacteria, eukaryotic cells, tissues, biological fluids, culture medium, food, etc).

The metabolome is the ultimate product of the cellular metabolism, reflecting the overall state of the studied cell/organism/ecosystem, and hence a metabolomic analysis of biological samples allows for the identification of a specific set of metabolites permitting their classification according to the levels of selected molecules expressed within the data. Therefore, the analysis can provide insights about the distinct pathways that are altered as a consequence (direct and/or indirect) of a specific disease/drug/chemical/environmental condition/stimulus/genetic background, etc.

We would like to contribute this Special Issue to spread recent advances in the field. We encourage you to submit either papers concerning the novel application of the already assessed protocols (for the study of new biological systems, cellular models, etc.) or papers regarding the improvement of the protocols and/or the methodologies.

Dr. Giuseppina Andreotti
Dr. Debora Paris
Guest Editors

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 submissions that pass pre-check are 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. Applied Sciences is an international peer-reviewed open access semimonthly 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 2400 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

  • Mass spectrometry
  • Nuclear magnetic resonance spectroscopy
  • Metabolomics
  • Biomarker
  • Metabolites
  • Metabolic profile/phenotype
  • Targeted profiling
  • Untargeted profiling
  • Metabolic pathway
  • Metabolic flux

Published Papers (3 papers)

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Research

10 pages, 3157 KiB  
Article
Saururus chinensis Prevents Estrogen Deficiency-Induced Osteoporosis in Rats: A Metabolomic Study Using UPLC/Q-TOF MS
by Sanghee Lee, Gwang Ju Jang, Miyoung Yoo, Haeng Jeon Hur and Mi Jeong Sung
Appl. Sci. 2021, 11(4), 1392; https://doi.org/10.3390/app11041392 - 04 Feb 2021
Cited by 1 | Viewed by 1770
Abstract
Saururus chinensis (SC), a traditional medicine, has been used for the treatment of edema, jaundice, gonorrhea, and several inflammatory diseases in China and Korea. Our previous studies reported the anti-osteoporotic activity of SC extract (SCE) in ovariectomized (OVX) rats but the mechanism of [...] Read more.
Saururus chinensis (SC), a traditional medicine, has been used for the treatment of edema, jaundice, gonorrhea, and several inflammatory diseases in China and Korea. Our previous studies reported the anti-osteoporotic activity of SC extract (SCE) in ovariectomized (OVX) rats but the mechanism of this effect was unclear. The aim of this study was to explore the anti-osteoporotic effect of SCE and elucidate the underlying mechanisms in ovariectomized rats using a metabolomics approach based on ultra-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC/ESI-Q-TOF MS) to analyze metabolic changes. Female Sprague-Dawley (SD) rats were divided into sham, OVX, and SCE treatment groups. Partial least squares-discriminant analysis (PLS-DA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) score plots separated OVX and sham groups fairly well. Further, 22 potential biomarkers were identified in the rat models of estrogen deficiency-induced osteoporosis, and SCE showed regulatory effects on three vital metabolic pathways associated with these biomarkers, namely, glycerophospholipid metabolism, glycosylphosphatidylinositol-anchor biosynthesis, and linoleic acid metabolism. The metabolomics approach reliably confirmed that SCE exerted its anti-osteoporotic effect by intervening with lipid metabolism, thus preventing osteoporosis. This study also showed the promising potential of this approach in an evaluation of natural medicine efficacy. Full article
(This article belongs to the Special Issue Application of Spectroscopic Techniques to Metabolomic Research)
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11 pages, 3259 KiB  
Article
Urinary 1H-NMR Metabolic Signature in Subjects Undergoing Colonoscopy for Colon Cancer Diagnosis
by Cristina Piras, Monica Pibiri, Vera Piera Leoni, Francesco Cabras, Angelo Restivo, Julian Leether Griffin, Vassilios Fanos, Michele Mussap, Luigi Zorcolo and Luigi Atzori
Appl. Sci. 2020, 10(16), 5401; https://doi.org/10.3390/app10165401 - 05 Aug 2020
Cited by 3 | Viewed by 2154
Abstract
Metabolomics represents a promising non-invasive approach that can be applied to identify biochemical changes in colorectal cancer patients (CRC) and is potentially useful for diagnosis and follow-up. Despite the literature regarding metabolomics CRC-specific profiles, discrimination between metabolic changes specifically related to CRC and [...] Read more.
Metabolomics represents a promising non-invasive approach that can be applied to identify biochemical changes in colorectal cancer patients (CRC) and is potentially useful for diagnosis and follow-up. Despite the literature regarding metabolomics CRC-specific profiles, discrimination between metabolic changes specifically related to CRC and intra-individual variability is still a problem to be solved. This was a preliminary case-control study, in which 1H-NMR spectroscopy combined with multivariate statistical analysis was used to profile urine metabolites in subjects undergoing colonoscopy for colon cancer diagnosis. To reduce intra-individual variability, metabolic profiles were evaluated in participants’ urine samples, collected just before the colonoscopy and after a short-term dietary regimen required for the endoscopy procedure. Data obtained highlighted different urinary metabolic profiles between CRC and unaffected subjects (C). The metabolites altered in the CRC urine (acetoacetate, creatine, creatinine, histamine, phenylacetylglycine, and tryptophan) significantly correlated with colon cancer and discriminated with accuracy CRC patients from C patients (receiver operator characteristic (ROC) curve with an area under the curve (AUC) of 0.875; 95% CI: 0.667–1). These results confirm that urinary metabolomic analysis can be a valid tool to improve CRC diagnosis, prognosis, and response to therapy, representing a noninvasive approach that could precede more invasive tests. Full article
(This article belongs to the Special Issue Application of Spectroscopic Techniques to Metabolomic Research)
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14 pages, 4240 KiB  
Article
Illustration of the Effects of Five Fungi on Acacia saligna Wood Organic Acids and Ultrastructure Alterations in Wood Cell Walls by HPLC and TEM Examinations
by Maisa M. A. Mansour, Safa Abd El-Kader Mohamed Hamed, Mohamed Z. M. Salem and Hayssam M. Ali
Appl. Sci. 2020, 10(8), 2886; https://doi.org/10.3390/app10082886 - 22 Apr 2020
Cited by 11 | Viewed by 2011
Abstract
In the present study, Acacia saligna (Labill.) H.L.Wendl. wood blocks with dimensions of 0.5 × 1 × 2 cm were inoculated with five molds (Aspergillus niger, A. flavus, Alternaria tenuissima, Fusarium culmorum, and Trichoderma harzianum) and the changes [...] Read more.
In the present study, Acacia saligna (Labill.) H.L.Wendl. wood blocks with dimensions of 0.5 × 1 × 2 cm were inoculated with five molds (Aspergillus niger, A. flavus, Alternaria tenuissima, Fusarium culmorum, and Trichoderma harzianum) and the changes in the organic acids (oxalic, citric, tartaric, succinic, glutaric, acetic, propionic, and butyric) of powdered wood were analyzed by HPLC. The effects of the five inoculated fungi on the alterations to the wood cell wall ultrastructures were examined by TEM. The wood became more acidic as it was inoculated with the studied fungi. From the HPLC analysis, the oxalic acid (293.34 µg/g o.d.) in the A. saligna, A. tenuissima (167.33 µg/g o.d.), and T. harzianum (245.01 µg/g o.d.) wood decreased, but it increased in the A. flavus (362.08 µg/g o.d.), A. niger (1202.53 µg/g o.d.), and F. culmorum (431.85 µg/g o.d.) inoculated wood. Citric acid was observed in the wood inoculated with A. flavus (110 µg/g o.d) and A. niger (2499.63 µg/g o.d). Tartaric (1150.98 µg/g o.d), acetic (2.04 µg/g o.d), and propionic (1.79 µg/g o.d) acids were found in the wood inoculated with A. niger. Butyric acid was found in small amounts. A loss of wood substances appeared as the electron-lucent increased in the middle lamella and the layers of the secondary wall. Within the secondary cell wall regions, checks and splits were also noted, which resulted from the effects of the acids on the carbohydrates, according to the fungus type and the acids. In conclusion, increasing the amount of organic acids in the wood samples through inoculation with fungi results in more degradations in the wood, especially in the wood inoculated with A. niger. Full article
(This article belongs to the Special Issue Application of Spectroscopic Techniques to Metabolomic Research)
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