Metabolite characterization of different palm date varieties and the correlation with their NO inhibitory activity, texture and sweetness

The aim of this study was to examine the variation in metabolite constituents of five commercial varieties of date fruits; Ajwa, Safawi and Ambar which originated from Madinah, the Iranian Bam and Tunisian Deglet Noor. The differences of metabolome were inves-tigated using proton nuclear magnetic resonance (1HNMR) spectroscopy combined with multivariate data analysis (MVDA). Principal Component Analysis (PCA) revealed clear separation between the date varieties. The Tunisian Deglet Noor demonstrated distinct cluster from the rest of the palm date samples based on the metabolite composition as shown by the pattern observed in Hierarchical Clustering Analysis (HCA) and PCA. Deglet Noor exhibited a significant higher level of sucrose (d5.40) and fructose (d4.16) in comparison with the other four varieties which can be associated with the distinctive sweet taste of this variety.Dates originated from Madinah and Tunisia exhibited a contrast manner in the amount of xylose and moisture content. These two aspects may contribute towards the soft texture of Tunisian dates. All Madinah dates were found to contain phenolic compounds which were well established as great antioxidant and anti-inflammatory agent. Ajwa dates exerted greater effect in inhibiting the generation of nitric oxide (NO) from the stimulated RAW264.7 cells at 95.37% inhibition. Succinic acid was suggested to have the most significant correlation with the trend of NO inhibitory shown by the selected date palm varieties

Metabolomic analysis and biochemical changes in the urine and serum of streptozotocin-induced normal- and obese-diabetic rats

Diabetes mellitus (DM) is a chronic disease that can affect metabolism of glucose and other metabolites. In this study, the normal-and obese-diabetic rats were compared to understand the diabetes disorders of type 1 and 2 diabetes mellitus. This was done byevaluating their urine metabolites using proton nuclear magnetic resonance (1H NMR)-based metabolomics and comparing withcontrols at different time points, considering the induction periods of obesity and diabetes. The biochemical parameters of theserum were also investigated. The obese-diabetic model was developed by feeding the rats a high-fat diet and inducing diabeticconditions with a low dose of streptozotocin (STZ) (25 mg/kg bw). However, the normal rats were induced by a high dose of STZ(55 mg/kg bw). A partial least squares discriminant analysis (PLS-DA) model showed the biomarkers of both DM typescompared to control. The synthesis and degradation of ketone bodies, tricarboxylic (TCA) cycles, and amino acid pathwayswere the ones most involved in the variation with the highest impact. The diabetic groups also exhibited a noticeable increase inthe plasma glucose level and lipid profile disorders compared to the control. There was also an increase in the plasma cholesteroland low-density lipoprotein (LDL) levels and a decline in the high-density lipoprotein (HDL) of diabetic rats. The normal-diabetic rats exhibited the highest effect of all parameters compared to the obese-diabetic rats in the advancement of the DMperiod. This finding can build a platform to understand the metabolic and biochemical complications of both types of DM and cangenerate ideas for finding targeted drugs

Application of BATMAN and BAYESIL for quantitative ¹H-NMR based metabolomics of urine: discriminant analysis of lean, obese, and obese-diabetic rats

Introduction: BATMAN and BAYESIL are software tools, which can provide a solution for automated metabolite quantifications based on the proton nuclear magnetic resonance (1H-NMR) spectral data of bio-fluids. However, their specific application for the quantitative 1H-NMR based metabolomics of urine has not been investigated. Objectives: The aim of this study is to evaluate the performance of BATMAN and BAYESIL in the quantitative metabolite analysis of urine based on its 1H-NMR spectra. Methods: BATMAN and BAYESIL were used for automated metabolite quantification based on the 1H-NMR spectra of the urine from the lean, obese and obese-diabetic rat groups. PLS-DA model was used to discriminate the three different groups based on the results from the quantifications. Results:BATMAN was found to be superior to BAYESIL in identifying and quantifying the metabolites in the urine samples, owing to its flexibility that allows users to define and adjust the relevant signals of the pure standard metabolites in the database in order to fit the signals in the samples, a necessary step since variations and peak shift are natural in most 1H-NMR spectra. The results of BATMAN also agreed well with that of the manual deconvolution method, which indicated the higher accuracy in metabolite quantification, despite the need of pre-processing and longer processing time than BAYESIL. However, in the case where the problems in baseline correction and peak shift of 1H-NMR spectra are absent, the use of BAYESIL is more advantageous. Application of quantitative 1H-NMR based metabolomics of the urine showed that PLS-DA model derived from BATMAN could satisfactorily discriminate the lean, obese, and obese-diabetic rat groups. Conclusion: Both BATMAN and BAYESIL are useful for the quantitative automation of urine metabolites based on its 1H-NMR spectra. The results from BATMAN method is superior to BAYESIL but require expertise in spectroscopy and longer computer time. Both methods help in simplifying the interpretation of metabolite status in the VIP analysis

Discrimination of Ipomoea aquatica cultivars and bioactivity correlations using NMR-based metabolomics approach

Ipomoea aquatica Forsk is a green leafy vegetable that is a rich source of minerals, proteins, vitamins, amino acids, and secondary metabolites. Different types of I. aquatica cultivars are grown for consumption but little is known about the metabolites variation. Proton nuclear magnetic resonance (1H NMR) spectroscopy combined with multivariate data analysis was applied for metabolic profiling of three I. aquatica cultivars including “broad leaf (K-25)”, “bamboo leaf (K-88)”, and “special pointed leaf (K-11)”. The orthogonal partial least squares discriminant analysis (OPLS-DA) indicated a clear separation among cultivars. The relative levels of various compounds, such as amino acids, organic acids, sugars, and phenolic compounds were specific to each cultivar. The K-11 cultivar was different from the other cultivars due to a high phenolic content. The content of sugars and some amino acids was higher in K-88 and K-25 possessed a higher content of organic acids. The in vitro study revealed that the I. aquatica cultivars exhibited potent antioxidant and α-glucosidase activities. The results of this study indicate that the K-11 cultivar was the most active due to the abundance of epicatechin, 4,5-dicaffeoylquinic, protocatechuic acid, and rutin

1H-NMR-based metabolomics approach to understanding the drying effects on the phytochemicals in Cosmos caudatus

medicinal herb to treat several maladies. Proton nuclear magnetic resonance (1H-NMR) combined with principal component analysis (PCA) and partial least-squares analysis (PLS) was applied to distinguish variations among C. caudatus materials processed with various drying techniques. A discriminatory report on the metabolites responsible for the variation between air (AD), oven (OD) and freeze (FD) dryings of C. caudatus samples was successfully achieved using 1H-NMR-based metabolomics. The correlation between antioxidant activity (AA) represented by radical DPPH scavenging activity and metabolite variation among processed samples dried in three different ways was also determined by partial least-squares analysis (PLS). The PCA and PLS scores showed a noticeable and clear separation into three clusters representing the three drying methods by PC1 and PC2, with an eigenvalue of 77.9%. Various assigned 1H-NMR chemical shifts referring to themetabolites responsible for sample variation were ascribed. The identified compounds were β- and α-glucose, chlorogenic acid, catechin, rutin, quercetin, quercetin 3-O-rhamnoside, quercetin 3-O-β-arabinofuranoside and quercetin 3-O-β-glucoside. This research demonstrates thatmost of the identified compounds were present in all samples from the three processing methods. However, there was marked variance in the concentration of the constituents present

Metabolite profiling of Ipomoea aquatica at different growth stages in correlation to the antioxidant and alpha-glucosidase inhibitory activities elucidated by H-1 NMR-based metabolomics

tIpomoea aquatica Forsk is a green leafy vegetable that is a rich source of secondary metabolites, vitaminsand amino acids with many health benefits. Proton Nuclear Magnetic Resonance (1H NMR) spectroscopywas combined with multivariate data analyses to distinguish Ipomoea aquatica samples at different devel-opmental stages. A principal component analysis (PCA) of Ipomoea leaves provides clusters based on thedifferent developmental stages by combining principal components PC1 and PC2 with a total varianceof 65.1%. A loading plot analysis revealed that the initial stages (weeks 3 and 4) showed comparativelylow contents of phenolic and organic acids, such as citric and maleic acid; the latter stages (weeks 5and 6) exhibited higher glucose and phenolic compound contents. The sugar, phenolic compound andorganic acid contents increased based on the developmental stage of the Ipomoea aquatica. The latentstructures were projected using a partial least squares (PLS) model to predict the biological activity of theIpomoea extracts based on their1H NMR spectra. The results of this study indicate that1H NMR-basedmetabolomics data could be used to discriminate the different developmental stages and to predict thebiological activities of Ipomoea leaves. The present study may be applied when monitoring the quality offruits and vegetables

Metabolic alteration in obese diabetes rats upon treatment with Centella asiatica extract

Ethnopharmacological relevance ‘Pegaga’ is a traditional Malay remedy for a wide range of complaints. Among the 'pegaga’, Centella asiatica has been used as a remedy for diabetes mellitus. Thus, we decided to validate this claim by evaluating the in vivo antidiabetic property of C. asiatica (CA) on T2DM rat model using the holistic 1H NMR-based metabolomics approach. Method In this study, an obese diabetic (mimic of T2DM condition) animal model was developed using Sprague–Dawley rats fed with a high-fat diet and induced into diabetic condition by the treatment of a low dose of streptozotocin (STZ). The effect of C. asiatica extract on the experimental animals was followed based on the changes observed in the urinary and serum metabolites, measured by 1H NMR of urine and blood samples collected over the test period. Results A long-term treatment of obese diabetic rats with CA extract could reverse the glucose and lipid levels, as well as the tricarboxylic acid cycle and amino acid metabolic disorders, back towards normal states. Biochemical analysis also showed an increase of insulin production in diabetic rats upon treatment of CA extract. Conclusion This study has provided evidence that clearly supported the traditional use of CA as a remedy for diabetes. NMR-based metabolomics was successfully applied to show that CA produced both anti-hyperglycemic and anti-hyperlipidemic effects on a rat model. In addition to increasing the insulin secretion, the CA extract also ameliorates the metabolic pathways affected in the induced diabectic rats. This study further revealed the potential usage of CA extract in managing diabetes mellitus and the results of this work may contribute towards the further understanding of the underlying molecular mechanism of this herbal remed

Effect of cosmos caudatus kunth leaves on the lipid profile of a hyperlipidemia-induced animal model

Hyperlipidemia, a metabolic disorder closely associated with the modern life-style and eating habits, is increasingly prevalent among the world population. This study was conducted on obese rats to evaluate the efficacy of Cosmos caudatus leaves as a treatment of hyperlipidemia. Hyperlipidemic conditions were induced in rats by submitting them to a high-fat diet during 3 months. After this, the rats were administered 200 mg/kg body weight of an ethanolic C. caudatus leaf extract or 35 mg/kg body weight atorvastatin for four weeks. The rats treated with the C. caudatus extract showed a significant (P<0.05) reduction of plasma triglycerides, total cholesterol, low density lipoprotein-cholesterol and glucose, and a significant (P< 0.05) increase in high density lipoprotein-cholesterol and Atherogenic Index values. The study indicated that supplementation with C. caudatus has a potential for the treatment of hyperlipidemia