2017
DOI: 10.1016/j.jfca.2016.11.014
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A computational tool for accelerated analysis of oligomeric proanthocyanidins in plants

Abstract: A computational tool was developed to facilitate proanthocyanidin analysis using data collected by ultra-high-performance liquid chromatography-diode array detection-high resolution accurate mass-mass spectrometry (UHPLC-DAD-HRAM-MS). Both identification and semi-quantitation of proanthocyanidins can be achieved by the developed computational tool. It can extract proanthocyanidin chromatographic peaks, deconvolute the isotopic patterns of A-type, B-type, and multi-charged proanthocyanidins ions, and predict pr… Show more

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Cited by 10 publications
(14 citation statements)
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“…Other than xanthones, mangosteen pericarp is also known to contain one of the highest procyanidin content, compared to other fruit such as cranberry, Fuji apple, jujube, and litchi (Zhang, Sun & Chen, 2017c). These procyanidins include monomer (47.7%), dimer (24.1%), and trimer (26%) may also contribute to the anti-oxidant capability of mangosteen extract as shown in 1,1-diphenyl-2-picrylhydrazyl (DPPH) and Ferric Reducing Antioxidant Power (FRAP) assays (Qin et al, 2017).…”
Section: Introductionmentioning
confidence: 99%
“…Other than xanthones, mangosteen pericarp is also known to contain one of the highest procyanidin content, compared to other fruit such as cranberry, Fuji apple, jujube, and litchi (Zhang, Sun & Chen, 2017c). These procyanidins include monomer (47.7%), dimer (24.1%), and trimer (26%) may also contribute to the anti-oxidant capability of mangosteen extract as shown in 1,1-diphenyl-2-picrylhydrazyl (DPPH) and Ferric Reducing Antioxidant Power (FRAP) assays (Qin et al, 2017).…”
Section: Introductionmentioning
confidence: 99%
“…PCA is an unsupervised multivariate technique that models the variation in a data set with orthogonal vectors or principal components (PC) representing the maximum amount of variance . PPMC is a statistical method used to measure the similarity or association between two vectors (e.g., mass spectra, chromatograms). , The correlation coefficient ( r ) can be calculated as where x and y represent the relative intensity of each ion in two mass spectra and x̅ and y̅ are the average intensity of ions for each mass spectrum. The larger the correlation coefficient, the more similar the two mass spectra.…”
Section: Methodsmentioning
confidence: 99%
“…15 PPMC is a statistical method used to measure the similarity or association between two vectors (e.g., mass spectra, chromatograms). 16,17 The correlation coefficient (r) can be calculated as…”
Section: ■ Materials and Methodsmentioning
confidence: 99%
“…Other than xanthones, mangosteen pericarp is also known to contain one of the highest procyanidin content, compared to other fruit such as cranberry, Fuji apple, jujube and litchi (Zhang et al 2017c). These procyanidins include monomer (47.7%), dimer (24.1%) and trimer (26%) may also contribute to the anti-oxidant capability of mangosteen extract as shown in DPPH and FRAP assays (Qin et al 2017).…”
Section: Metabolite Composition Of Mangosteenmentioning
confidence: 99%