scholarly journals Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics

2018 ◽  
Vol 19 (11) ◽  
pp. 3288 ◽  
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.

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

Molecules ◽  
2020 ◽  
Vol 25 (14) ◽  
pp. 3235 ◽  
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.

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

2008 ◽  
Vol 35 (3) ◽  
pp. 213 ◽  
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.

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

Plants ◽  
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.

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

Molecules ◽  
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.

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

Metabolites ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 656
Author(s):  
Rachelle Bester ◽  
Zinandré Stander ◽  
Shayne Mason ◽  
Karen M. Keane ◽  
Glyn Howatson ◽  
...  
Keyword(s):  
1H Nmr ◽  
Ketone Bodies ◽  
Physiological State ◽  
Principal Component ◽  
Tca Cycle ◽  
Metabolic Changes ◽  
Proton Nuclear Magnetic Resonance ◽  
Endurance Running ◽  
Long Distance ◽  
Health Promoting

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.

Enterogastric Reflux: an Uncommon Diagnosis Analyzed by Hepatobiliary Imaging

2019 ◽  
Vol 8 (2) ◽  
Author(s):  
Peter Wang
Keyword(s):  
Abdominal Pain ◽  
Digestive Enzymes ◽  
Gallbladder Disease ◽  
Hepatobiliary Scintigraphy ◽  
Hepatobiliary Imaging ◽  
Upper Gi ◽  
Gi Symptoms ◽  
Upper Abdominal ◽  
Enterogastric Reflux

Enterogastric reflux (EGR) is the reflux of bile and digestive enzymes from the small bowel into the stomach. While it is a normal physiologic process in small amounts, excessive reflux and chronic EGR can cause upper GI symptoms often mimicking more common diseases such as gallbladder disease and GERD that often leads to its underdiagnosis. Identifying EGR is significant as it has been associated with the development of gastroesophogeal pathology including gastritis, esophagitis, ulcers, and mucosal metaplasia. This article presents a 22-year-old male with enterogastric reflux causing upper abdominal pain and will discuss the role of hepatobiliary scintigraphy in its diagnosis.

scholarly journals Neuroendocrine Neoplasms: Identification of Novel Metabolic Circuits of Potential Diagnostic Utility

Cancers ◽  
2021 ◽  
Vol 13 (3) ◽  
pp. 374
Author(s):  
Beatriz Jiménez ◽  
Mei Ran Abellona U ◽  
Panagiotis Drymousis ◽  
Michael Kyriakides ◽  
Ashley K. Clift ◽  
...  
Keyword(s):  
1H Nmr ◽  
Cancer Metabolism ◽  
Proton Nuclear Magnetic Resonance ◽  
Neuroendocrine Neoplasms ◽  
Resonance Spectroscopy ◽  
Diagnostic Utility ◽  
Signalling Molecules ◽  
Prognostic Accuracy ◽  
Diagnostic Potential ◽  
Healthy Control

The incidence of neuroendocrine neoplasms (NEN) is increasing, but established biomarkers have poor diagnostic and prognostic accuracy. Here, we aim to define the systemic metabolic consequences of NEN and to establish the diagnostic utility of proton nuclear magnetic resonance spectroscopy (1H-NMR) for NEN in a prospective cohort of patients through a single-centre, prospective controlled observational study. Urine samples of 34 treatment-naïve NEN patients (median age: 59.3 years, range: 36–85): 18 had pancreatic (Pan) NEN, of which seven were functioning; 16 had small bowel (SB) NEN; 20 age- and sex-matched healthy control individuals were analysed using a 600 MHz Bruker 1H-NMR spectrometer. Orthogonal partial-least-squares-discriminant analysis models were able to discriminate both PanNEN and SBNEN patients from healthy control (Healthy vs. PanNEN: AUC = 0.90, Healthy vs. SBNEN: AUC = 0.90). Secondary metabolites of tryptophan, such as trigonelline and a niacin-related metabolite were also identified to be universally decreased in NEN patients, while upstream metabolites, such as kynurenine, were elevated in SBNEN. Hippurate, a gut-derived metabolite, was reduced in all patients, whereas other gut microbial co-metabolites, trimethylamine-N-oxide, 4-hydroxyphenylacetate and phenylacetylglutamine, were elevated in those with SBNEN. These findings suggest the existence of a new systems-based neuroendocrine circuit, regulated in part by cancer metabolism, neuroendocrine signalling molecules and gut microbial co-metabolism. Metabonomic profiling of NEN has diagnostic potential and could be used for discovering biomarkers for these tumours. These preliminary data require confirmation in a larger cohort.

scholarly journals Vapor Phase Modification for Selective Enrichment of Grafted Styrene/Acrylonitrile onto Carbon Nanotubes Via ATRP

Processes ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 459
Author(s):  
Maryam Azadbakht ◽  
Elnaz Esmizadeh ◽  
Ali Vahidifar ◽  
Tizazu H. Mekonnen ◽  
Mehdi Salami-Kalajahi
Keyword(s):  
Carbon Nanotubes ◽  
1H Nmr ◽  
Vapor Phase ◽  
Proton Nuclear Magnetic Resonance ◽  
Acid Vapor ◽  
Selective Enrichment ◽  
Pristine Mwcnts ◽  
Morphological Studies ◽  
Phase Oxidation ◽  
Multi Walled Carbon Nanotubes

Nitric acid vapor phase oxidation of multi-walled carbon nanotubes (MWCNTs) was proposed as a promising technique to fabricate poly styrene-co-acrylonitrile (SAN)-grafted-CNTs via atom transfer radical polymerization (ATRP). The in-situ ATRP grafting approach was successfully employed to graft polystyrene (PS), SAN and polyacrylonitrile (PAN), onto the convex surfaces of pristine MWCNTs (PCNT) and acid-functionalized MWCNTs (FCNT). Fourier transform infrared spectroscopy (FTIR), proton nuclear magnetic resonance (1H-NMR), and thermogravimetric analysis (TGA) confirmed the effectiveness of the modification via the ATRP grafting approach. The molar composition of acrylonitrile in the synthesized copolymer on the surface of CNTs for an FCNTs was calculated to be about 80% and 67.5% by 1H-NMR and TGA respectively, whereas the value is lower for PCNTs. Morphological studies showed that SAN-grafted FCNTs exhibit rougher surface morphology compared to the SAN-grafted PCNTs. Moreover, the higher diameter of the FCNTs indicated the higher polymer content, which was coated onto CNTs functionalized by vapor-phase oxidation. Therefore, the vapor phase oxidation strategy employed in this study could be utilized as a general method to prepare CNTs which can serve as an ATRP macroinitiator for the fabrication of various polymer grafted CNTs.

scholarly journals Foreign Body in abdomen

2015 ◽  
Vol 14 (2) ◽  
pp. 210-212
Author(s):  
Md Zakirul Alam ◽  
Mohibul Aziz
Keyword(s):  
Abdominal Pain ◽  
Foreign Body ◽  
Medical Science ◽  
X Ray ◽  
Diagnostic Center ◽  
History Of ◽  
Upper Abdominal ◽  
Married Female

A 19 years old married female presented with severe upper abdominal pain, repeated vomiting having history of swallowing a knife 7 months ago was admitted in Mordern Clinic and Diagnostic center, Joypurhat, Bangladesh. USG abdomen & X-ray (fig-1) abdomen were done when presence of a large foreign body (knife fig-3) in abdomen was made which latter on confirmed by Endoscopy of upper GIT (fig-2). Surprisingly the patient kept it in her abdomen for 7 months without any symptoms until the symptoms got worse and compelled her to seek medical help. The knife was removed by laparotomy, gastrotomy with uneventful recovery.Bangladesh Journal of Medical Science Vol.14(2) 2015 p.210-212

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