Characterizing Marathon-Induced Metabolic Changes Using 1H-NMR Metabolomics

Although physical activity is a health-promoting, popular global pastime, regular engagement in strenuous exercises, such as long-distance endurance running races, has been associated with a variety of detrimental physiological and immunological health effects. The resulting altered physiological state has previously been associated with fluctuations in various key metabolite concentrations; however, limited literature exists pertaining to the global/holistic metabolic changes that are induced by such. This investigation subsequently aims at elucidating the metabolic changes induced by a marathon by employing an untargeted proton nuclear magnetic resonance (1H-NMR) spectrometry metabolomics approach. A principal component analysis (PCA) plot revealed a natural differentiation between pre- and post-marathon metabolic profiles of the 30-athlete cohort, where 17 metabolite fluctuations were deemed to be statistically significant. These included reduced concentrations of various amino acids (AA) along with elevated concentrations of ketone bodies, glycolysis, tricarboxylic acid (TCA) cycle, and AA catabolism intermediates. Moreover, elevated concentrations of creatinine and creatine in the post-marathon group supports previous findings of marathon-induced muscle damage. Collectively, the results of this investigation characterize the strenuous metabolic load induced by a marathon and the consequential regulation of main energy-producing pathways to accommodate this, and a better description of the cause of the physiological changes seen after the completion of a marathon.

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Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics

International Journal of Molecular Sciences ◽

10.3390/ijms19113288 ◽

2018 ◽

Vol 19 (11) ◽

pp. 3288 ◽

Cited By ~ 2

Author(s):

Panteleimon Takis ◽

Antonio Taddei ◽

Riccardo Pini ◽

Stefano Grifoni ◽

Francesca Tarantini ◽

...

Keyword(s):

Abdominal Pain ◽

1H Nmr ◽

Intestinal Ischemia ◽

Principal Component ◽

Disease Diagnosis ◽

Proton Nuclear Magnetic Resonance ◽

Mechanical Obstruction ◽

Symptomatic Gallstones ◽

Symptom Group ◽

Upper Abdominal

Precision medicine may significantly contribute to rapid disease diagnosis and targeted therapy, but relies on the availability of detailed, subject specific, clinical information. Proton nuclear magnetic resonance (1H–NMR) spectroscopy of body fluids can extract individual metabolic fingerprints. Herein, we studied 64 patients admitted to the Florence main hospital emergency room with severe abdominal pain. A blood sample was drawn from each patient at admission, and the corresponding sera underwent 1H–NMR metabolomics fingerprinting. Unsupervised Principal Component Analysis (PCA) analysis showed a significant discrimination between a group of patients with symptoms of upper abdominal pain and a second group consisting of patients with diffuse abdominal/intestinal pain. Prompted by this observation, supervised statistical analysis (Orthogonal Partial Least Squares–Discriminant Analysis (OPLS-DA)) showed a very good discrimination (>90%) between the two groups of symptoms. This is a surprising finding, given that neither of the two symptoms points directly to a specific disease among those studied here. Actually herein, upper abdominal pain may result from either symptomatic gallstones, cholecystitis, or pancreatitis, while diffuse abdominal/intestinal pain may result from either intestinal ischemia, strangulated obstruction, or mechanical obstruction. Although limited by the small number of samples from each of these six conditions, discrimination of these diseases was attempted. In the first symptom group, >70% discrimination accuracy was obtained among symptomatic gallstones, pancreatitis, and cholecystitis, while for the second symptom group >85% classification accuracy was obtained for intestinal ischemia, strangulated obstruction, and mechanical obstruction. No single metabolite stands up as a possible biomarker for any of these diseases, while the contribution of the whole 1H–NMR serum fingerprint seems to be a promising candidate, to be confirmed on larger cohorts, as a first-line discriminator for these diseases.

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LC-QTOF-MS and 1H NMR Metabolomics Verifies Potential Use of Greater Omentum for Klebsiella pneumoniae Biofilm Eradication in Rats

Pathogens ◽

10.3390/pathogens9050399 ◽

2020 ◽

Vol 9 (5) ◽

pp. 399

Author(s):

Joanna Teul ◽

Stanisław Deja ◽

Katarzyna Celińska-Janowicz ◽

Adam Ząbek ◽

Piotr Młynarz ◽

...

Keyword(s):

Klebsiella Pneumoniae ◽

1H Nmr ◽

Surgical Procedures ◽

High Performance ◽

Tca Cycle ◽

Alternative Methods ◽

Proton Nuclear Magnetic Resonance ◽

Greater Omentum ◽

Surgical Interventions ◽

Wound Recovery

Bacterial wound infections are a common problem associated with surgical interventions. In particular, biofilm-forming bacteria are hard to eradicate, and alternative methods of treatment based on covering wounds with vascularized flaps of tissue are being developed. The greater omentum is a complex organ covering the intestines in the abdomen, which support wound recovery following surgical procedures and exhibit natural antimicrobial activity that could improve biofilm eradication. We investigated changes in rats’ metabolome following Klebsiella pneumoniae infections, as well as the greater omentum’s ability for Klebsiella pneumoniae biofilm eradication. Rats received either sterile implants or implants covered with Klebsiella pneumoniae biofilm (placed in the peritoneum or greater omentum). Metabolic profiles were monitored at days 0, 2, and 5 after surgery using combined proton nuclear magnetic resonance (1H NMR) and high performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry (LC–QTOF-MS) measurements of urine samples followed by chemometric analysis. Obtained results indicated that grafting of the sterile implant to the greater omentum did not cause major disturbances in rats’ metabolism, whereas the sterile implant located in the peritoneum triggered metabolic perturbations related to tricarboxylic acid (TCA) cycle, as well as choline, tryptophan, and hippurate metabolism. Presence of implants colonized with Klebsiella pneumoniae biofilm resulted in similar levels of metabolic perturbations in both locations. Our findings confirmed that surgical procedures utilizing the greater omentum may have a practical use in wound healing and tissue regeneration in the future.

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Metabolite Profiles of Red and Yellow Watermelon (Citrullus lanatus) Cultivars Using a 1H-NMR Metabolomics Approach

Molecules ◽

10.3390/molecules25143235 ◽

2020 ◽

Vol 25 (14) ◽

pp. 3235 ◽

Cited By ~ 1

Author(s):

Fadzil Sulaiman ◽

Amalina Ahmad Azam ◽

Muhammad Safwan Ahamad Bustamam ◽

Sharida Fakurazi ◽

Faridah Abas ◽

...

Keyword(s):

1H Nmr ◽

Deuterium Oxide ◽

Citrullus Lanatus ◽

Principal Component ◽

Solvent System ◽

Proton Nuclear Magnetic Resonance ◽

Metabolite Profiles ◽

Polar Metabolites ◽

Distinct Color ◽

Β Carotene

Watermelon, a widely commercialized fruit, is famous for its thirst-quenching property. The broad range of cultivars, which give rise to distinct color and taste, can be attributed to the differences in their chemical profile, especially that of the carotenoids and volatile compounds. In order to understand this distribution properly, water extracts of red and yellow watermelon pulps with predominantly polar metabolites were subjected to proton nuclear magnetic resonance (1H-NMR) analysis. Deuterium oxide (D2O) and deuterated chloroform (CDCl3) solvents were used to capture both polar and non-polar metabolites from the same sample. Thirty-six metabolites, of which six are carotenoids, were identified from the extracts. The clustering of the compounds was determined using unsupervised principal component analysis (PCA) and further grouping was achieved using supervised orthogonal partial least squares discriminant analysis (OPLS-DA). The presence of lycopene, β-carotene, lutein, and prolycopene in the red watermelon plays an important role in its differentiation from the yellow cultivar. A marked difference in metabolite distribution was observed between the NMR solvents used as evidenced from the PCA model. OPLS-DA and relative quantification of the metabolites, on the other hand, helped in uncovering the discriminating metabolites of the red and yellow watermelon cultivars from the same solvent system.

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The sensitivity of photosynthesis to phosphorus deficiency differs between C3 and C4 tropical grasses

Functional Plant Biology ◽

10.1071/fp07256 ◽

2008 ◽

Vol 35 (3) ◽

pp. 213 ◽

Cited By ~ 20

Author(s):

Oula Ghannoum ◽

Matthew J. Paul ◽

Jane L. Ward ◽

Michael H. Beale ◽

Delia-Irina Corol ◽

...

Keyword(s):

1H Nmr ◽

Phosphorus Deficiency ◽

Principal Component ◽

Co2 Assimilation ◽

Proton Nuclear Magnetic Resonance ◽

Grass Species ◽

Panicum Maximum ◽

C4 Grasses ◽

P Deficiency ◽

Tropical Grasses

Phosphorus (P) is an important determinant of plant productivity, particularly in the tropical grasslands of Australia, which contain both C3 and C4 species. Few studies have compared the responses of such species to P deficiency. Previous work led us to hypothesise that C3 photosynthesis and the three subtypes of C4 photosynthesis have different sensitivities to P deficiency. To examine their dynamic response to P deficiency in more detail, four taxonomically related tropical grasses (Panicum laxum (C3) and Panicum coloratum, Cenchrus ciliaris and Panicum maximum belonging to the C4 subtypes NAD-ME, NADP-ME and PCK, respectively) were grown under contrasting P supplies, including P withdrawal from the growing medium. Changes in photosynthesis and growth were compared with leaf carbohydrate contents and metabolic fingerprints obtained using high-resolution proton nuclear magnetic resonance (1H-NMR). The response of CO2 assimilation rates to leaf contents of inorganic phosphate ([Pi]) was linear in the C3 grass, but asymptotic for the three C4 grasses. Relative growth rate was affected most by low P in the C3 species and was correlated with the leaf content of glucose 6-phosphate more than with carbohydrates. Principal component analysis of the 1H-NMR spectra revealed distinctive profiles of carbohydrates and amino acids for the four species. Overall, the data showed that photosynthesis of the three C4 subtypes behaved similarly. Compared with the C3 counterpart, photosynthesis of the three C4 grasses had a higher P use efficiency and lower Pi requirement, and responded to a narrower range of [Pi]. Although each of the four grass species showed distinctive 1H-NMR fingerprints, there were no differences in response that could be attributed to the C4 subtypes.

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Investigation of Andrographolide Effect on Non-Infected Red Blood Cells Using the 1H-NMR-Based Metabolomics Approach

Metabolites ◽

10.3390/metabo11080486 ◽

2021 ◽

Vol 11 (8) ◽

pp. 486

Author(s):

Ashraf Ahmad Issa Alapid ◽

Roslaini Abd. Majid ◽

Zaid O. Ibraheem ◽

Ahmed Mediani ◽

Intan Safinar Ismail ◽

...

Keyword(s):

Data Analysis ◽

Red Blood Cells ◽

1H Nmr ◽

Blood Cells ◽

Metabolic Pathways ◽

Metabolic Changes ◽

Glutamine Metabolism ◽

Proton Nuclear Magnetic Resonance ◽

Glutathione Metabolism ◽

Pharmacological Effects

Andrographolide (AG) has been shown to have several medicinal and pharmaceutical effects, such as antimicrobial, anti-inflammatory, antioxidant, anti-diabetic, and anti-malarial activities. Moreover, studies to assess the pharmacological effect of AG on the metabolic changes of uninfected red blood cells (uRBCs) have not yet been investigated. This study aims to evaluate the pharmacological effects of AG compared to chloroquine (CQ) on the metabolic variations of uRBCs in vitro using a proton nuclear magnetic resonance (1H-NMR)-based metabolomics approach coupled with multivariate data analysis (MVDA). Forty-one metabolites were successfully identified by 1H-NMR. The results of the unsupervised data analysis principal component analysis (PCA) showed ideal differentiation between AG and CQ. PC1 and PC2 accounted for 71.4% and 17.7% of the explained variation, respectively, with a total variance of 89.10%. Based on S-plot and VIP values, a total of 28 and 32 metabolites were identified as biomarkers in uRBCs-AG and uRBCs-CQ, respectively. In uRBCs treated with AG, ten metabolic pathways were determined to be disturbed, including riboflavin metabolism, d-glutamate and d-glutamine metabolism, phenylalanine metabolism, glutathione metabolism, proline and arginine metabolism, arginine biosynthesis, citrate cycle, glycolysis/gluconeogenesis, and pyruvate metabolism as well as alanine, aspartate, and glutamate metabolism. In contrast, in CQ-treated uRBCs, nine affected metabolic pathways were determined, which involved the same metabolic pathways for uRBCs-AG, except for glutathione metabolism. These findings suggest an evident relationship between AG and CQ associated with metabolic changes in intact RBCs after being exposed to the treatment. The metabolomics results could allow useful comprehensive insights into the underlying mechanism of the action of AG and CQ on red blood cells. Consequently, the 1H-NMR-based metabolomics approach was successfully utilized to identify the pharmacological effects of AG and CQ on the metabolic variations of uRBCs.

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Fast 1H-NMR Species Differentiation Method for Camellia Seed Oils Applied to Spanish Ornamentals Plants. Comparison with Traditional Gas Chromatography

Plants ◽

10.3390/plants10101984 ◽

2021 ◽

Vol 10 (10) ◽

pp. 1984

Author(s):

Rocío Barreiro ◽

Raquel Rodríguez-Solana ◽

Leocadio Alonso ◽

Carmen Salinero ◽

José Ignacio López Sánchez ◽

...

Keyword(s):

Gas Chromatography ◽

1H Nmr ◽

Principal Component ◽

Proton Nuclear Magnetic Resonance ◽

Species Differentiation ◽

Resonance Spectroscopy ◽

Seed Oils ◽

As Species ◽

Camellia Species ◽

Cultivated Species

Camellia genus (Theaceae) is comprised of world famous ornamental flowering plants. C. japonica L. and C. sasanqua Thunb are the most cultivated species due to their good adaptation. The commercial interest in this plant linked to its seed oil increased in the last few years due to its health attributes, which significantly depend on different aspects such as species and environmental conditions. Therefore, it is essential to develop fast and reliable methods to distinguish between different varieties and ensure the quality of Camellia seed oils. The present work explores the study of Camellia seed oils by species and location. Two standardized gas chromatography methods were applied and compared with that of data obtained from proton nuclear magnetic resonance spectroscopy (1H-NMR) for fatty acids profiling. The principal component analysis indicated that the proposed 1H-NMR methodology can be quickly and reliably applied to separate specific Camellia species, which could be extended to other species in future works.

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Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices

Molecules ◽

10.3390/molecules24183289 ◽

2019 ◽

Vol 24 (18) ◽

pp. 3289

Author(s):

Antoni Delpino-Rius ◽

Jordi Eras ◽

Ferran Gatius ◽

Mercè Balcells ◽

Ramon Canela-Garayoa

Keyword(s):

Phenolic Compounds ◽

1H Nmr ◽

Principal Component ◽

Ultra Performance Liquid Chromatography ◽

Quality Characteristic ◽

Proton Nuclear Magnetic Resonance ◽

Primary Metabolite ◽

Primary Metabolites ◽

Combining Data ◽

Photodiode Array

Here we authenticated single-varietal peach purees and pear juices on the basis of primary metabolite and phenolic compound analysis by Proton Nuclear Magnetic Resonance (1H-NMR) and Ultra Performance Liquid Chromatography coupled to Photodiode Array and Tandem Mass Spectrometry (UPLC-PDA-MS/MS), respectively. After suitable preprocessing, the 1H-NMR and chromatographic data were evaluated by principal component analysis (PCA). The PCA combining data from primary metabolites and phenolic compounds allowed the separation of the clusters in all cases, allowing discrimination of processed and unprocessed peach purees, both separately and pooled. The PCA of primary metabolites allowed the cluster separation of purees of distinct peach varieties but not between processed and non-processed purees. The PCA of phenolic compounds allowed better cluster separation than of primary metabolites. For pear juices, both PCA approaches allowed satisfactory discrimination of Alejandrina, Conference, and Blanquilla cultivars. These approaches may help to better control cultivar authenticity in fruit products. It could therefore contribute to the development of a process to achieve products characterized by a quality characteristic of a given cultivar.

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Proton NMR Enables the Absolute Quantification of Aqueous Metabolites and Lipid Classes in Unique Mouse Liver Samples

Metabolites ◽

10.3390/metabo10010009 ◽

2019 ◽

Vol 10 (1) ◽

pp. 9

Author(s):

Aurélien Amiel ◽

Marie Tremblay-Franco ◽

Roselyne Gautier ◽

Simon Ducheix ◽

Alexandra Montagner ◽

...

Keyword(s):

Fatty Acids ◽

1H Nmr ◽

Physiological State ◽

Saturated Fatty Acids ◽

Proton Nmr ◽

Absolute Quantification ◽

Lipid Classes ◽

Proton Nuclear Magnetic Resonance ◽

Lipid Species ◽

The Absolute

Hepatic metabolites provide valuable information on the physiological state of an organism, and thus, they are monitored in many clinical situations. Typically, monitoring requires several analyses for each class of targeted metabolite, which is time consuming. The present study aimed to evaluate a proton nuclear magnetic resonance (1H-NMR) method for obtaining quantitative measurements of aqueous and lipidic metabolites. We optimized the extraction protocol, the standard samples, and the organic solvents for the absolute quantification of lipid species. To validate the method, we analyzed metabolic profiles in livers of mice fed three different diets. We compared our results with values obtained with conventional methods and found strong correlations. The 1H-NMR protocol enabled the absolute quantification of 29 aqueous metabolites and eight lipid classes. Results showed that mice fed a diet enriched in saturated fatty acids had higher levels of triglycerides, cholesterol ester, monounsaturated fatty acids, lactate, 3-hydroxy-butyrate, and alanine and lower levels of glucose, compared to mice fed a control diet. In conclusion, proton NMR provided a rapid overview of the main lipid classes (triglycerides, cholesterol, phospholipids, fatty acids) and the most abundant aqueous metabolites in liver.

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A Metabonomic Comparison of Urinary Changes in Zucker and GK Rats

Journal of Biomedicine and Biotechnology ◽

10.1155/2010/431894 ◽

2010 ◽

Vol 2010 ◽

pp. 1-6 ◽

Cited By ~ 24

Author(s):

Liang-Cai Zhao ◽

Xiao-Dong Zhang ◽

Shi-Xian Liao ◽

Hong-Chang Gao ◽

He-Yao Wang ◽

...

Keyword(s):

Metabolic Profiling ◽

Ketone Bodies ◽

Principal Component ◽

Tca Cycle ◽

Tricarboxylic Acid ◽

Gk Rats ◽

Obese Rats ◽

Two Stages ◽

Pathogenic Process

To further investigate pathogenesis and pathogenic process of type 2 diabetes mellitus (T2DM), we compared the urinary metabolic profiling of Zucker obese and Goto-kakizaki (GK) rats by NMR-based metabonomics. Principal component analysis (PCA) on urine samples of both models rats indicates markedly elevated levels of creatine/creatinine, dimethylamine, and acetoacetate, with concomitantly declined levels of citrate, 2-ketoglurarate, lactate, hippurate, and succinate compared with control rats, respectively. Simultaneously, compared with Zucker obese rats, the GK rats show decreased levels of trimethylamine, acetate, and choline, as well as increased levels of creatine/creatinine, acetoacetate, alanine, citrate, 2-ketoglutarate, succinate, lactate, and hippurate. This study demonstrates metabolic similarities between the two stages of T2DM, including reduced tricarboxylic acid (TCA) cycle and increased ketone bodies production. In addition, compared with Zucker obese rats, the GK rats have enhanced concentration of energy metabolites, which indicates energy metabolic changes produced in hyperglycemia stage more than in insulin resistance stage.

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Suitability Analysis of 17 Probiotic Type Strains of Lactic Acid Bacteria as Starter for Kimchi Fermentation

Foods ◽

10.3390/foods10061435 ◽

2021 ◽

Vol 10 (6) ◽

pp. 1435

Author(s):

Hee Seo ◽

Jae-Han Bae ◽

Gayun Kim ◽

Seul-Ah Kim ◽

Byung Hee Ryu ◽

...

Keyword(s):

Lactic Acid ◽

Lactic Acid Bacteria ◽

Growth Rates ◽

Principal Component ◽

Fermented Foods ◽

Suitability Analysis ◽

Moderate Growth ◽

Health Promoting ◽

Highly Correlated ◽

Type Strains

The use of probiotic starters can improve the sensory and health-promoting properties of fermented foods. This study aimed to evaluate the suitability of probiotic lactic acid bacteria (LAB) as a starter for kimchi fermentation. Seventeen probiotic type strains were tested for their growth rates, volatile aroma compounds, metabolites, and sensory characteristics of kimchi, and their characteristics were compared to those of Leuconostoc (Le.) mesenteroides DRC 1506, a commercial kimchi starter. Among the tested strains, Limosilactobacillus fermentum, Limosilactobacillus reuteri, Lacticaseibacillus rhamnosus, Lacticaseibacillus paracasei, and Ligilactobacillus salivarius exhibited high or moderate growth rates in simulated kimchi juice (SKJ) at 37 °C and 15 °C. When these five strains were inoculated in kimchi and metabolite profiles were analyzed during fermentation using GC/MS and 1H-NMR, data from the principal component analysis (PCA) showed that L. fermentum and L. reuteri were highly correlated with Le. mesenteroides in concentrations of sugar, mannitol, lactate, acetate, and total volatile compounds. Sensory test results also indicated that these three strains showed similar sensory preferences. In conclusion, L. fermentum and L. reuteri can be considered potential candidates as probiotic starters or cocultures to develop health-promoting kimchi products.

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