scholarly journals Metabolic Profiling of Cultivated Bush Tea (Athrixia phylicoides DC.) in Response to Different Pruning Types

HortScience ◽  
2018 ◽  
Vol 53 (7) ◽  
pp. 993-998 ◽  
Author(s):  
Keletso C. Mohale ◽  
Araya T. Hintsa ◽  
Machel A. Emanuel ◽  
Fhatuwani N. Mudau
Keyword(s):  
South African ◽  
Block Design ◽  
Partial Least Square ◽  
Least Square ◽  
Flight Mass Spectrometry ◽  
Tea Quality ◽  
Indigenous Plant ◽  
Discriminatory Analysis ◽  
Tea Plants ◽  
Athrixia Phylicoides

Bush tea (Athrixia phylicoides DC.) is a popular medicinal South African indigenous plant and it has been used for many decades as a health beverage and medicine. The objective of the study was to profile metabolites for assessment of quality of bush tea (A. phylicoides DC.) subjected to different pruning levels. Treatments consisted of untreated control, top-branch pruning, middle pruning, and basal pruning arranged in a randomized complete block design (RCBD) using 10 single trees as replications. The liquid chromatography quadrupole time-of-flight mass spectrometry (LC–QTOF–MS) was carried out to annotate the bush tea metabolites present in bush tea. Orthogonal partial least square-discriminatory analysis (OPLS-DA) from 1H nuclear magnetic resonance (NMR) revealed a separation between the basal, middle, top pruning, and the unpruned bush tea plants. The pruned (top) and unpruned tea plants, exhibited higher levels of metabolites than the basal and middle pruned. Pruning bush tea showed a significant effect on accumulation of secondary metabolites and thus could enhance bush tea quality. The study successfully annotated 28 metabolites (compounds), which elucidated canonical differences in pruning treatment of bush tea, as validated through multivariate analysis. Top pruning (apically pruned) resulted in improved metabolite accumulation than other treatment and can be recommended in bush tea cultivation. Future studies to enhance vegetative enhancement after pruning will be evaluated.

scholarly journals Microscopic Mass Spectrometry Imaging Reveals the Distribution of Phytochemicals in the Dried Root of Isatis tinctoria

2021 ◽  
Vol 12 ◽  
Author(s):  
Li-Xing Nie ◽  
Jing Dong ◽  
Lie-Yan Huang ◽  
Xiu-Yu Qian ◽  
Chao-Jie Lian ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectrometry Imaging ◽  
Viral Infections ◽  
Ion Trap ◽  
Partial Least Square ◽  
Least Square ◽  
Isatis Tinctoria ◽  
Chinese Medicines ◽  
Flight Mass Spectrometry ◽  
First Time

The dried root of Isatis tinctoria L. (Brassicaceae) is one of the most popular traditional Chinese medicines with well-recognized prevention and treatment effects against viral infections. Above 300 components have been isolated from this herb, but their spatial distribution in the root tissue remains unknown. In recent years, mass spectrometry imaging (MSI) has become a booming technology for capturing the spatial accumulation and localization of molecules in fresh plants, animal, or human tissues. However, few studies were conducted on the dried herbal materials due to the obstacles in cryosectioning. In this study, distribution of phytochemicals in the dried root of Isatis tinctoria was revealed by microscopic mass spectrometry imaging, with application of atmospheric pressure–matrix-assisted laser desorption/ionization (AP-MALDI) and ion trap–time-of-flight mass spectrometry (IT-TOF/MS). After optimization of the slice preparation and matrix application, 118 ions were identified without extraction and isolation, and the locations of some metabolites in the dried root of Isatis tinctoria were comprehensively visualized for the first time. Combining with partial least square (PLS) regression, samples collected from four habitats were differentiated unambiguously based on their mass spectrometry imaging.

scholarly journals Metabolomics profiling of Polygoni Multiflori Radix and Polygoni Multiflori Radix Preparata extracts using UPLC-Q/TOF-MS

2019 ◽  
Vol 14 (1) ◽  
Author(s):  
Zhaoyan Zhang ◽  
Liang Yang ◽  
Xiaoyan Huang ◽  
Yue Gao
Keyword(s):  
High Performance ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Alpha Linolenic Acid ◽  
Multivariate Statistical ◽  
Biochemical Indicators ◽  
Flight Mass Spectrometry ◽  
Underlying Mechanisms ◽  
Tof Ms

Abstract Background The side effects caused by Polygoni Multiflori Radix (PMR) and Polygoni Multiflori Radix Praeparata (PMRP) have often appeared globally. There is no research on the changes of endogenous metabolites among PMR- and PMRP-treated rats. The aim of this study was to evaluate the varying metabolomic effects between PMR- and PMRP-treated rats. We tried to discover relevant differences in biomarkers and endogenous metabolic pathways. Methods Hematoxylin and eosin staining and immunohistochemistry staining were performed to find pathological changes. Biochemical indicators were also measured, one-way analysis of variance with Dunnett’s multiple comparison test was used for biochemical indicators comparison among various groups. Metabolomics analysis based on ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UPLC-Q/TOF-MS) was performed to find the changes in metabolic biomarkers. Multivariate statistical approaches such as principal component analysis (PCA) and orthogonal partial least square-discriminant analysis (OPLS-DA) were applied to reveal group clustering trend, evaluate and maximize the discrimination between the two groups. MetaboAnalyst 4.0 was performed to find and confirm the pathways. Results PMR extracts exhibited slight hepatotoxic effects on the liver by increasing aspartate and alanine aminotransferase levels. Twenty-nine metabolites were identified as biomarkers, belonging to five pathways, including alpha-linolenic acid metabolism, taurine and hypotaurine metabolism, glycerophospholipid metabolism, arginine and proline metabolism, and primary bile acid biosynthesis. Conclusion This study provided a comprehensive description of metabolomic changes between PMR- and PMRP-treated rats. The underlying mechanisms require further research.

AN IMPROVED QSPR STUDY OF REVERSE FACTOR OF NANOPARTICLES IN ROADSIDE ATMOSPHERE ON KERNEL PARTIAL LEAST SQUARES AND GENETIC ALGORITHM

2013 ◽  
Vol 12 (01) ◽  
pp. 1250106 ◽  
Author(s):  
ALI MEHDIKHANI ◽  
HAMID REZA LOTFIZADEH ◽  
KAMYAR ARMAN ◽  
HADI NOORIZADEH
Keyword(s):  
Genetic Algorithm ◽  
Cross Validation ◽  
Partial Least Square ◽  
Least Square ◽  
Structure Property ◽  
Resolution Time ◽  
Kernel Partial Least Squares ◽  
Flight Mass Spectrometry ◽  
Structure Property Relationship ◽  
Test Sets

Thermal desorption-comprehensive two-dimensional gas chromatography high-resolution time-of-flight mass spectrometry (TD–GC × GC–HRTOF-MS) is one of the most powerful tools in analytical nanoparticle compounds. Genetic algorithm and partial least square (GA-PLS) and kernel PLS (GA-KPLS) models were used to investigate the correlation between reverse factor (RF) and descriptors for 50 nanoparticles fraction with a diameter of 29–58 nm in roadside atmosphere which obtained by TD–GC×GC–HRTOF-MS. The correlation coefficient leave-group-out cross validation (LGO-CV (Q2)) of prediction for the GA-PLS and GA-KPLS models for training and test sets were (0.761 and 0.718) and (0.825 and 0.814), respectively, revealing the reliability of these models. This is the first research on the quantitative structure-property relationship (QSPR) of the nanoparticles in roadside atmosphere using the GA-PLS and GA-KPLS.

scholarly journals Variation in Carbohydrate Reserves and Dry Matter Production of Bush Tea (Athrixia phylicoides) Grown under Different Environmental Conditions

HortScience ◽  
2016 ◽  
Vol 51 (12) ◽  
pp. 1537-1541 ◽  
Author(s):  
Fhatuwani N. Mudau ◽  
Ambani R. Mudau ◽  
Mpumelelo Nkomo ◽  
Wonder Ngezimana
Keyword(s):  
Dry Matter ◽  
Block Design ◽  
Management Strategies ◽  
Dry Matter Production ◽  
Carbohydrate Accumulation ◽  
Matter Production ◽  
Randomized Complete Block Design ◽  
Tea Plants ◽  
Athrixia Phylicoides ◽  
Seasonal Responses

Reserve carbohydrates are critical for herbage yields, productivity as well as management strategies of bush tea (Athrixia phylicoides DC). This study was conducted to evaluate carbohydrate accumulation in response to pruning seasons (summer, autumn, winter, and spring) involving different organs grown under different conditions and to determine mean dry matter production of bush tea. Three separate parallel trials were conducted under wild, field, and glasshouse conditions. Seasons and different growing sites were considered as treatments. Treatments for all controlled trials (field and glasshouse) consisted of seasonal pruning (winter, spring, summer, and autumn). Trials were arranged using a randomized complete block design with 25 single plants as replicates per treatment. Seasonal responses revealed that winter had the highest starch (145.0 mg·g−1) in the stems and reserve carbohydrates (480.6 mg·g−1) in the roots, whereas in the roots sugar (400.6 mg·g−1) was highest in summer. The highest significant root reserve carbohydrates occurred in winter (594.6 mg·g−1) and the lowest in autumn (fall) (313.3 mg·g−1). Bush tea plants pruned during winter had the highest overall reserve carbohydrates in the stem (598.7 mg·g−1). Under glasshouse conditions, the highest dry matter production was observed in December (midsummer) (170 g per plant); while in field-grown plants in the same month dry matter production was 400 g per plant. Therefore, the best time to maximize production of bush tea is during the spring and summer seasons.

scholarly journals Metabolomics of Ginger Based on Ultra-Performance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Mass Spectrometry Technology

2020 ◽  
Author(s):  
Hui Yan ◽  
Dongqian Zou ◽  
Guisheng Zhou ◽  
Hanwen Yu ◽  
Penghui Li ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Quality Evaluation ◽  
Time Of Flight ◽  
Ultra Performance Liquid Chromatography ◽  
Partial Least Square ◽  
Least Square ◽  
Related Factors ◽  
Flight Mass Spectrometry ◽  
Mass Spectrometry Technology

Abstract Objectives Dried ginger and ginger are the same type of medicine and food. The differential components of ginger and dried ginger, dried ginger and ginger charcoal were investigated. Materials and Methods The experimental materials were divided into three sample groups: the ginger group, dried ginger group and ginger charcoal group. The ginger group, dried ginger group and ginger charcoal group were qualitatively analyzed by ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS). The data were processed by Marker View Software. Principal component analysis (PCA) and orthogonal partial least-square discriminant analysis (OPLS-DA) were performed with SIMCA 13.0 Software. The differential components of the ginger group and dried ginger group as well as the dried ginger group and ginger charcoal group with a VIP>2 (p<0.05), were identified with PeakView 1.2 Software. Results Ten differential components, including 6-gingerol, 8-gingerol and 10-gingerol, were identified between the ginger group and dried ginger group; 13 differential components, including 6-shogaol, 10-gingerol and zingiberone, were identified between the dried ginger group and ginger charcoal group. Conclusions The main differential components between the ginger group and dried ginger group, dried ginger group and ginger charcoal group were gingerols and diphenylheptanes. Based on metabolomics analysis of the chemical composition of ginger medicinal materials, effects and other related factors, it is recommended that 6-gingerol, 6-shogaol and zingiberone should be used as indicative components for the respective quality evaluation of ginger, dried ginger and ginger charcoal. The results of this study may provide a basis for the reasonable quality evaluation of ginger medicinal materials.

scholarly journals A Preliminary Study of Uric Metabolomic Alteration for Postpartum Depression Based on Liquid Chromatography Coupled to Quadrupole Time-of-Flight Mass Spectrometry

2019 ◽  
Vol 2019 ◽  
pp. 1-9 ◽  
Author(s):  
Li Zhang ◽  
Wei Zou ◽  
Yi Huang ◽  
Xiaoke Wen ◽  
Jianxi Huang ◽  
...  
Keyword(s):  
Postpartum Depression ◽  
Permutation Test ◽  
Disease Diagnosis ◽  
Partial Least Square ◽  
Least Square ◽  
Multivariate Statistical ◽  
Flight Mass Spectrometry ◽  
Metabolomic Data ◽  
Statistical Analysis Method ◽  
Metabolomic Study

Postpartum depression affects about 10-20% of newly delivered women, which is harmful for both mothers and infants. However, the current diagnosis of postpartum depression depends on the subjective judgment of a practitioner, which may lead to misdiagnosis. Hence, an appended objective diagnosis index may help the practitioner to improve diagnosis. A metabolomic study can find biomarkers as an objective index to facilitate disease diagnosis. Forty-nine postpartum depressed patients and 50 healthy controls were recruited into this study. The metabolites in urine were scanned with LC-Q-TOF-MS. The metabolomic data were analyzed with a multivariate statistical analysis method. Data from 40 patients and 40 controls were used for partial least square-discriminate analysis (PLS-DA). The urine metabolomic profiles of patients were different from those of controls. The PLS-DA model was validated by a permutation test, and the model could accurately classify the other 9 patients and 10 controls in T-prediction. Ten differentiating metabolites were found as main contributors to this difference, which are involved in amino acid metabolism, neurotransmitter metabolism, bacteria population, etc. Some of these potential biomarkers, such as 4-hydroxyhippuric acid, homocysteine, and tyrosine, showed relatively high sensitivities and specificities. The metabolic profile alteration induced by postpartum depression was found, and some of the differentiating metabolites may serve as biomarkers to facilitate the diagnosis of postpartum depression.

scholarly journals Estimation of leaf nitrogen levels in sugarcane using hyperspectral models

2022 ◽  
Vol 52 (7) ◽  
Author(s):  
Pedro Paulo da Silva Barros ◽  
Peterson Ricardo Fiorio ◽  
José Alexandre de Melo Demattê ◽  
Juliano Araújo Martins ◽  
Zaqueu Fernando Montezano ◽  
...  
Keyword(s):  
Block Design ◽  
Critical Role ◽  
Leaf Nitrogen ◽  
Hyperspectral Data ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Nitrogen Levels ◽  
Nitrogen Concentrations ◽  
Santa Maria

ABSTRACT: Sugarcane is a good source of renewable energy and helps reduce the emission of greenhouse gases. Nitrogen has a critical role in plant growth; therefore,estimating nitrogen levels is essential, and remote sensing can improve fertilizer management. This field study selects wavelengths from hyperspectral data on a sugarcane canopy to generate models for estimating leaf nitrogen concentrations. The study was carried out in the municipalities of Piracicaba, Jaú, and Santa Maria da Serra, state of São Paulo, in the 2013/2014 growing season. The experiments were carried out using a completely randomized block design with split plots (three sugarcane varieties per plot [variety SP 81-3250 was common to all plots] and four nitrogen concentrations [0, 50, 100, and 150 kgha-1] per subplot) and four repetitions. The wavelengths that best correlated with leaf nitrogen were selected usingsparse partial least square regression. The wavelength regionswere combinedby stepwise multiple linear regression. Spectral bands in the visible (700-705 nm), red-edge (710-720 nm), near-infrared (725, 925, 955, and 980 nm), and short-wave infrared (1355, 1420, 1595, 1600, 1605, and 1610 nm) regions were identified. The R² and RMSE of the model were 0.50 and 1.67 g.kg-1, respectively. The adjusted R² and RMSE of the models for Piracicaba, Jaú, and Santa Maria were 0.31 (unreliable) and 1.30 g.kg-1, 0.53 and 1.96 g.kg-1, and 0.54 and 1.46 g.kg-1, respectively. Our results showed that canopy hyperspectral reflectance can estimate leaf nitrogen concentrations and manage nitrogen application in sugarcane.

scholarly journals Analysis of Biomarkers for Congenital Heart Disease Based on Maternal Amniotic Fluid Metabolomics

2021 ◽  
Vol 8 ◽  
Author(s):  
Yahong Li ◽  
Yun Sun ◽  
Lan Yang ◽  
Mingtao Huang ◽  
Xiaojuan Zhang ◽  
...  
Keyword(s):  
Congenital Heart Disease ◽  
Uric Acid ◽  
Heart Disease ◽  
Amniotic Fluid ◽  
Congenital Heart ◽  
Partial Least Square ◽  
Least Square ◽  
Flight Mass Spectrometry ◽  
Validation Set ◽  
Control Samples

Congenital heart disease (CHD) is the most common birth defect. The prenatal diagnosis of fetal CHD is completely dependent on ultrasound testing, but only ~40% of CHD can be detected. The purpose of this study is to find good biomarkers in amniotic fluid (AF) to detect CHD in the second trimester, so as to better manage this group of people and reduce the harm of CHD to the fetus. Metabolites analysis were performed in two separate sets. The discovery set consisted of 18 CHD fetal maternal AF samples and 35 control samples, and the validation set consisted of 53 CHD fetal maternal AF samples and 114 control samples. Untargeted metabolite profiles were analyzed by gas chromatography/time-of-flight-mass spectrometry (GC-TOF/MS). Orthogonal partial least square discrimination analysis (OPLS-DA) demonstrated that CHD and control samples had significantly different metabolic profiles. Two metabolites, uric acid and proline, were significantly elevated in CHD and verified in two data sets. Uric acid was associated with CHD [odds ratio (OR): 7.69 (95% CI: 1.18–50.13) in the discovery set and 3.24 (95% CI:1.62–6.48) in the validation set]. Additionally, uric acid showed moderate predictive power; the area under curve (AUC) was 0.890 in the discovery set and 0.741 in the validation set. The sensitivity and specificity of uric acid to detect CHD was, respectively, 94.4 and 74.3% in the discovery set and 67.9 and 71.9% in the validation set. The identification of uric acid as a biomarker for CHD has the potential to stimulate research on the pathological mechanism of CHD and the development of a diagnostic test for clinical applications.

scholarly journals Metabolomics by UHPLC-Q-TOF Reveals Host Tree-Dependent Phytochemical Variation in Viscum album L.

Plants ◽  
2021 ◽  
Vol 10 (8) ◽  
pp. 1726
Author(s):  
Tim Jäger ◽  
Carla Holandino ◽  
Michelle Melo ◽  
Evelyn Peñaloza ◽  
Adriana Oliveira ◽  
...  
Keyword(s):  
Viscum Album ◽  
Ultra Performance Liquid Chromatography ◽  
Partial Least Square ◽  
Least Square ◽  
Host Tree ◽  
Flight Mass Spectrometry ◽  
Methanolic Extracts ◽  
In Vivo Effects

Viscum album L., commonly known as European mistletoe, is a hemi-parasitic plant of the Santalaceae family. The in vitro and in vivo effects of V. album differ, according to its host tree. However, little is known about the host-dependent phytochemical diversity in V. album. In this study, the metabolic profiles of V. album ssp. album from Malus domestica Bork., Quercus robur L., and Ulmus carpinifolia Gled were compared. Leaves, stems, and berries were collected in Switzerland, by the same procedure, in September 2016 and 2017. The methanolic extracts were analyzed by ultra-performance liquid chromatography, coupled to electrospray quadrupole time-of-flight mass spectrometry in positive ionization mode. The data were submitted to partial-least square discriminant analysis (PLS-DA) and the results showed that the V. album ssp. album samples were clustered into three groups, according to the three distinct host trees. Seven compounds, with high VIP scores (variable importance in projection), were responsible for this differentiation. The following four compounds were detected in both the harvest years: arginine, pipecolic acid or lysine, dimethoxycoumarin, and sinapyl alcohol, suggesting their use as host specific V. album biomarkers. The present work highlights the importance of standardized harvest and analytical procedures for the reproducibility of the chemical results of herbal materials.

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