Comparison of partial least squares and random forests for evaluating relationship between phenolics and bioactivities of <scp><i>Neptunia oleracea</i></scp>

Lee, Soo Yee; Mediani, Ahmed; Maulidiani, M.; Khatib, Alfi; Ismail, Intan Safinar; Zawawi, Norhasnida; Abas, Faridah

doi:10.1002/jsfa.8462

Cited by 13 publications

(11 citation statements)

References 33 publications

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“…The method of Lee et al [ 42 ] with slight modifications was adopted for sample preparation. For measurement of 1 H NMR spectra of the solvent extracts, approximately 5 mg of extract was dissolved in 600 µL deuterated acetone in a 2 mL Eppendorf tube.…”

Section: Methodsmentioning

confidence: 99%

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Metabolite Profiling of the Microalgal Diatom Chaetoceros Calcitrans and Correlation with Antioxidant and Nitric Oxide Inhibitory Activities via 1H NMR-Based Metabolomics

et al. 2018

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Microalgae are promising candidate resources from marine ecology for health-improving effects. Metabolite profiling of the microalgal diatom, Chaetoceros calcitrans was conducted by using robust metabolomics tools, namely 1H nuclear magnetic resonance (NMR) spectroscopy coupled with multivariate data analysis (MVDA). The unsupervised data analysis, using principal component analysis (PCA), resolved the five types of extracts made by solvents ranging from polar to non-polar into five different clusters. Collectively, with various extraction solvents, 11 amino acids, cholesterol, 6 fatty acids, 2 sugars, 1 osmolyte, 6 carotenoids and 2 chlorophyll pigments were identified. The fatty acids and both carotenoid pigments as well as chlorophyll, were observed in the extracts made from medium polar (acetone, chloroform) and non-polar (hexane) solvents. It is suggested that the compounds were the characteristic markers that influenced the separation between the clusters. Based on partial least square (PLS) analysis, fucoxanthin, astaxanthin, violaxanthin, zeaxanthin, canthaxanthin, and lutein displayed strong correlation to 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging and nitric oxide (NO) inhibitory activity. This metabolomics study showed that solvent extractions are one of the main bottlenecks for the maximum recovery of bioactive microalgal compounds and could be a better source of natural antioxidants due to a high value of metabolites.

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Section: Methodsmentioning

confidence: 99%

“…Determination of radical scavenging properties of C. calcitrans extracts were performed by following method as described by Lee et al [ 42 ]. 100 µL methanolic DPPH solution was prepared was mixed with 50 µL of sample extracts.…”

Section: Methodsmentioning

confidence: 99%

Metabolite Profiling of the Microalgal Diatom Chaetoceros Calcitrans and Correlation with Antioxidant and Nitric Oxide Inhibitory Activities via 1H NMR-Based Metabolomics

et al. 2018

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“…The adsorption process was conducted over 24 h at 25 • C. The experiment was carried out on OPL extract solutions of different pH (5, 7, and 9; adjusted with 1 M HCl or 1 M NaOH), in triplicate. At 0, 5,10,15,20,25,30,40,50,60,120,180,240,300,360,480, and 1440 min time points, 0.125-mL aliquots of the treated OPL extract were withdrawn for TFC determination. The adsorption kinetics equation for each resin was accordingly established for each.…”

Section: Adsorption Kinetics Of Opl Total Flavonoids On the Selected mentioning

confidence: 99%

“…The 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging assay was performed as described earlier by Lee et al [40], with some modifications. Test concentrations of the OPL extract ranging from 0.7 to 100 µg·mL −1 were prepared by serial dilutions of a 0.1 mg/mL stock solution.…”

Section: Determination Of Dpph Free Radical Scavenging Activitymentioning

confidence: 99%

Adsorption and Desorption Properties of Total Flavonoids from Oil Palm (Elaeis guineensis Jacq.) Mature Leaf on Macroporous Adsorption Resins

et al. 2020

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Three different macroporous resins (XAD7HP, DAX-8, and XAD4) were evaluated for their adsorption and desorption properties in preparing flavonoid-enriched oil palm (Elaeis guineensis Jacq.) leaf extract. The influences of initial concentration, solution pH, contact time, and desorption solvent (ethanol) concentration were determined by static sorption/desorption methods. The optimal condition for adsorption of flavonoids was achieved when the solution of the extract was adjusted to pH 7, reaching equilibrium after 1440 min at 298 K. The adsorption process was well described by a pseudo-second-order kinetics model, while the adsorption isotherm data fitted well with a Freundlich model. The adsorption by each resin was via an exothermic and physical adsorption process. Based on the static experiment results, XAD7HP was found to be the most appropriate adsorbent, while 80% ethanol was the best solvent for desorbent. Further evaluation of its dynamic adsorption and desorption characteristics on a packed glass column showed that XAD7HP could enrich the OPL total flavonoid content by a 3.57-fold increment. Moreover, UHPLC-UV/PDA and UHPLC-MS/MS analysis revealed that apigenin and luteolin derivatives were selectively adsorbed by XAD7HP. Additionally, both the crude OPL extract and the flavonoid-enriched fraction have good DPPH and NO free radical scavenging activities. Multiple interactions between the flavonoids and cross-linked polymeric XAD7HP resin through van der Waals forces and hydrogen bonding described the sorption processes. Therefore, by utilizing this method, the flavonoid-enriched fraction from crude OPL extract could be used as a potential bioactive ingredient in nutraceutical and pharmaceutical applications at minimum cost with optimum efficiency.Molecules 2020, 25, 778 2 of 17 shown to be safe for use in disease treatments based on the absence of adverse effects in several studies on rodents [5,6].Previous chemical investigations revealed that OPL extract is rich in flavonoids, mainly flavonoid O-glycosides and flavonoid C-glycosides [7]. As a class of compounds, flavonoids are well known to have positive effects on human health with reports of being hepatoprotective, antioxidative, and antidiabetic, among others [8]. Presently, there is a high demand for flavonoids globally by the nutraceutical and pharmaceutical industries, which is forecasted to reach approximately RM 4.40 billion by the year 2025 [9]. Thus, to meet requirements, the availability of simple and efficient methods for their separation and purification is needed.Conventionally, flavonoids are separated from plant matrixes by methods that require high amounts of solvents, long separation time and low recovery. These methods include solid-liquid extraction, liquid-liquid extraction, and column chromatography, either packed with silica gel or Sephadex LH-20. Macroporous resin (MAR), with the property of high cross-linkage and many permanent pores, was also utilized in the separation and purification of flavonoids, for example, separation of...

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“…Besides, to identify antioxidants and α-glucosidase inhibitors from natural resources, N. oleracea has been studied by our research group for its free radical scavenging and α-glucosidase inhibitory properties. The results have shown that this plant is a prominent source of free radical scavengers and α-glucosidase inhibitors; with phenolics as the potential candidates for these active compounds [11, 12].…”

Section: Introductionmentioning

confidence: 99%

Antioxidants and α-glucosidase inhibitors from Neptunia oleracea fractions using 1H NMR-based metabolomics approach and UHPLC-MS/MS analysis

Lee

Mediani

Ismail

et al. 2019

BMC Complement Altern Med

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BackgroundNeptunia oleracea is a plant cultivated as vegetable in Southeast Asia. Previous works have revealed the potential of this plant as a source of natural antioxidants and α-glucosidase inhibitors. Continuing our interest on this plant, the present work is focused in identification of the bioactive compounds from different polarity fractions of N. oleracea, namely hexane (HF), chloroform (CF), ethyl acetate (EF) and methanol (MF).MethodsThe N. oleracea fractions were obtained using solid phase extraction (SPE). A metabolomics approach that coupled the use of proton nuclear magnetic resonance (1H NMR) with multivariate data analysis (MVDA) was applied to distinguish the metabolite variations among the N. oleracea fractions, as well as to assess the correlation between metabolite variation and the studied bioactivities (DPPH free radical scavenging and α-glucosidase inhibitory activities). The bioactive fractions were then subjected to ultra-high performance liquid chromatography tandem mass spectrometry (UHPLC–MS/MS) analysis to profile and identify the potential bioactive constituents.ResultsThe principal component analysis (PCA) discriminated EF and MF from the other fractions with the higher distributions of phenolics. Partial least squares (PLS) analysis revealed a strong correlation between the phenolics and the studied bioactivities in the EF and the MF. The UHPLC-MS/MS profiling of EF and MF had tentatively identified the phenolics present. Together with some non-phenolic metabolites, a total of 37 metabolites were tentatively assigned.ConclusionsThe findings of this work supported that N. oleracea is a rich source of phenolics that can be potential antioxidants and α-glucosidase inhibitors for the management of diabetes. To our knowledge, this study is the first report on the metabolite-bioactivity correlation and UHPLC–MS/MS analysis of N. oleracea fractions.

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Comparison of partial least squares and random forests for evaluating relationship between phenolics and bioactivities of Neptunia oleracea

Cited by 13 publications

References 33 publications

Metabolite Profiling of the Microalgal Diatom Chaetoceros Calcitrans and Correlation with Antioxidant and Nitric Oxide Inhibitory Activities via 1H NMR-Based Metabolomics

Metabolite Profiling of the Microalgal Diatom Chaetoceros Calcitrans and Correlation with Antioxidant and Nitric Oxide Inhibitory Activities via 1H NMR-Based Metabolomics

Adsorption and Desorption Properties of Total Flavonoids from Oil Palm (Elaeis guineensis Jacq.) Mature Leaf on Macroporous Adsorption Resins

Antioxidants and α-glucosidase inhibitors from Neptunia oleracea fractions using 1H NMR-based metabolomics approach and UHPLC-MS/MS analysis

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