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 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 Metabolomic Analysis for Compositional Differences of Bush Tea (Athrixia phylicoides DC.) Subjected to Seasonal Dynamics

Agronomy ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 892
Author(s):  
Keletso C. Mohale ◽  
Olusola Bodede ◽  
Hintsa T. Araya ◽  
Fhatuwani N. Mudau
Keyword(s):  
South African ◽  
1H Nmr ◽  
Essential Amino Acids ◽  
Proton Nuclear Magnetic Resonance ◽  
Metabolomic Analysis ◽  
Tea Leaves ◽  
Herbal Tea ◽  
Primary Metabolites ◽  
Different Seasons ◽  
Athrixia Phylicoides

Bush tea (Athrixia phylicoides DC.) is a South African indigenous herbal tea rich in secondary metabolites with medicinal significance. However, studies on the effects of seasonal changes on bush tea and quantification of its metabolites using untargeted approach have not been explored. Therefore, this study’s objective was to investigate the effects of seasonal variation on the metabolites of bush tea using LC-MS/MS (Liquid Chromatography with Tandem Mass Spectrometry) and 1H NMR (High-Resolution Proton Nuclear Magnetic Resonance) techniques. Bush tea leaves were plucked once in each season namely, autumn (March to May), winter (June to August), spring (September to November), and summer (December to February). The primary metabolites including non-essential amino acids, organic acids, and vitamins in bush tea were predominantly elevated during summer and spring. The 1H NMR-based metabolomic analysis revealed that bush tea metabolome was strongly affected by seasonal variations, using the partial least squares-discriminant analysis (PLS-DA) which demonstrated four distinct groups of seasons. Similarly, the 1H NMR based metabolic profiling of bush tea subjected to different seasons resulted in putative annotation of six phenolic compounds which included rutin, 4-(hydroxyphenyl) propyl coumarate, caffeic acid, hymenoxin, quercetin, and kaempferol. The phenolics and primary metabolites differed remarkably per season with enhanced accumulation observed in the summer and spring harvested bush tea. The LC-MS and 1H NMR metabolomics analysis suggests that summer and spring can be recommended as preferred plucking seasons for bush tea leaves and twigs.

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 Metabolic Profiles, Bioactive Compounds, and Antioxidant Capacity in Lentinula edodes Cultivated on Log versus Sawdust Substrates

Biomolecules ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1654
Author(s):  
Miso Nam ◽  
Ji Yeon Choi ◽  
Min-Sun Kim
Keyword(s):  
Antioxidant Capacity ◽  
Bioactive Compounds ◽  
Lentinula Edodes ◽  
Principal Component ◽  
High Growth ◽  
Edible Mushroom ◽  
Ultra Performance Liquid Chromatography ◽  
Metabolic Profiles ◽  
Medicinal Uses ◽  
Primary Metabolites

Lentinula edodes (shiitake) is a popular nutritious edible mushroom with a desirable aroma and flavor. Traditional cultivation of L. edodes on beds of logs has been replaced by cultivation on sawdust, but the effects of cultivation changes on L. edodes mushrooms have not been well characterized. We determined the metabolic profile, bioactive compounds, and antioxidant capacity in L. edodes grown on log or sawdust substrates. Metabolic profiles of L. edodes extracts were determined by 1H nuclear magnetic resonance (NMR) and ultra-performance liquid chromatography to quadrupole time-of-flight mass spectrometry. Principal component analysis score plots from 1H NMR analysis showed clear differences between samples. Concentrations of primary metabolites, especially amino acids, generally decreased in L. edodes grown on logs compared to sawdust. Phenolic compounds showed variations in concentration depending on the cultivation method. Bioactive compounds and their antioxidant capacity were analyzed spectrophotometrically. L. edodes cultivated on logs had high concentrations of bioactive compounds with strong antioxidant capacity compared to L. edodes cultivated on sawdust. Thus, the concentration of primary metabolites was high in L. edodes grown on sawdust, which produces a high growth rate. In contrast, log-cultivated L. edodes, which were similar to wild mushrooms, had high levels of bioactive compounds and high antioxidant capacity. This information is useful for determining optimal cultivation conditions for nutritional and medicinal uses of L. edodes mushrooms.

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.

scholarly journals Simultaneous Estimation of Twenty Eight Phenolic Compounds by a Novel and Expeditious Method Developed on Quaternary Ultra-Performance Liquid Chromatography System with a Photodiode Array Detector

Biomolecules ◽  
2019 ◽  
Vol 10 (1) ◽  
pp. 6
Author(s):  
Shiwani Mandhania ◽  
Ajay Pal ◽  
Vinod Saharan
Keyword(s):  
Phenolic Compounds ◽  
Benzoic Acid ◽  
Limit Of Detection ◽  
Plant Secondary Metabolites ◽  
Correlation Coefficients ◽  
Ultra Performance Liquid Chromatography ◽  
Array Detector ◽  
Simultaneous Estimation ◽  
Intermediate Precision ◽  
Photodiode Array

Plant secondary metabolites including phenolics and flavonoidsare synthesized through phenylpropanoid and phenylpropanoid–acetate pathways and significantly contribute against adverse effect of abiotic and biotic stresses. Herein, we present the development and execution of a novel and expeditious ultra-performance liquid chromatographic-photodiode array (UPLC–PDA) method for qualitative and quantitative analysis of 28 phenolic compounds comprising of flavonoids, phenolic acids, aldehydes and alcohols. The method is able to separate phenolic compounds in just 17 min with the separation of isobaric species such as 3,4 dihydroxybenzoic acid and 3,5 dihydroxy benzoic acid; quercetin and taxifolin. Linear curves concentrations ranged from 6–18 µg/mL (3,5 dihydroxy benzoic acid), 4–12 µg/mL (catechin and salicylic acid) and 2–6 µg/mL for rest of the compounds and correlation coefficients were >0.994. The limit of detection (LOD) varied from 0.04–0.45 µg/mL. Cotton root samples were used to assess the method in terms of recovery efficiency (85–120%), precision (0.12–4.09%) and intermediate precision (0.32–4.0%).Phenolics and flavonoidsin root samples of healthy and diseased plants as well as leaf samples of healthy plants were successfully quantified using this novel method without an expensive Mass Spectrometer.

scholarly journals Relationships Between the Content of Phenolic Compounds and the Antioxidant Activity of Polish Honey Varieties as a Tool for Botanical Discrimination

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1810
Author(s):  
Monika Kędzierska-Matysek ◽  
Małgorzata Stryjecka ◽  
Anna Teter ◽  
Piotr Skałecki ◽  
Piotr Domaradzki ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Antioxidant Activity ◽  
Phenolic Compounds ◽  
Caffeic Acid ◽  
Principal Component ◽  
Total Content ◽  
Component Analysis ◽  
Total Phenolic ◽  
Hydroxybenzoic Acid ◽  
Coumaric Acid

The study compared the content of eight phenolic acids and four flavonoids and the antioxidant activity of six Polish varietal honeys. An attempt was also made to determine the correlations between the antioxidant parameters of the honeys and their polyphenol profile using principal component analysis. Total phenolic content (TPC), total flavonoid content (TFC), antioxidant activity (ABTS) and reduction capacity (FRAP) were determined spectrophotometrically, and the phenolic compounds were determined using high-performance liquid chromatography (HPLC). The buckwheat honeys showed the strongest antioxidant activity, most likely because they had the highest concentrations of total phenols, total flavonoids, p-hydroxybenzoic acid, caffeic acid, p-coumaric acid, vanillic acid and chrysin. The principal component analysis (PCA) of the data showed significant relationships between the botanic origin of the honey, the total content of phenolic compounds and flavonoids and the antioxidant activity of the six Polish varietal honeys. The strongest, significant correlations were shown for parameters of antioxidant activity and TPC, TFC, p-hydroxybenzoic acid, caffeic acid and p-coumaric acid. Analysis of four principal components (explaining 86.9% of the total variance), as a classification tool, confirmed the distinctiveness of the Polish honeys in terms of their antioxidant activity and content of phenolic compounds.

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