scholarly journals Small in size, big on taste: Metabolomics analysis of flavor compounds from Philippine garlic

PLoS ONE ◽  
2021 ◽  
Vol 16 (5) ◽  
pp. e0247289
Author(s):  
Ralph John Emerson J. Molino ◽  
Klidel Fae B. Rellin ◽  
Ricky B. Nellas ◽  
Hiyas A. Junio
Keyword(s):  
High Performance ◽  
Allium Sativum ◽  
Bioinformatics Analysis ◽  
Principal Component ◽  
Flavor Compounds ◽  
Local Market ◽  
Multivariate Statistical ◽  
Flight Mass Spectrometry ◽  
Nutritional Benefits ◽  
Distinct Separation

Philippine garlic (Allium sativum L.) is arguably known to pack flavor and aroma in smaller bulbs compared to imported varieties saturating the local market. In this study, ethanolic extracts of Philippine garlic cultivars were profiled using ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-QTOF). γ-Glu dipeptides, oligosaccharides and lipids were determined in Philippine garlic cultivars through bioinformatics analysis in GNPS Molecular Networking Platform and fragmentation analysis. Multivariate statistical analysis using XCMS Online showed the abundance of γ-Glu allyl cysteine in Batanes-sourced garlic while γ-Glu propenyl cysteine, γ-Glu methyl cysteine, and alliin are enriched in the Ilocos cultivar. Principal component analysis showed that the γ-Glu dipeptides found in local garlic influenced their distinct separation across PC1 from imported varieties. This presence of high levels of γ-Glu dipeptides and probiotic oligosaccharides may potentially contribute to the superior flavor and nutritional benefits of Philippine garlic.

scholarly journals Small in size, big on taste: metabolomics analysis of flavor compounds from Philippine garlic

2021 ◽  
Author(s):  
Ralph John Emerson J. Molino ◽  
Klidel Fae B. Rellin ◽  
Ricky B. Nellas ◽  
Hiyas A. Junio
Keyword(s):  
High Performance ◽  
Allium Sativum ◽  
Bioinformatics Analysis ◽  
Principal Component ◽  
Flavor Compounds ◽  
Local Market ◽  
Multivariate Statistical ◽  
Flight Mass Spectrometry ◽  
Nutritional Benefits ◽  
Distinct Separation

AbstractPhilippine garlic (Allium sativum L.) is arguably known to pack flavor and aroma in smaller bulbs compared to imported varieties saturating the local market. In this study, ethanolic extracts of Philippine garlic cultivars were profiled using ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-QTOF). γ-Glu dipeptides, oligosaccharides and lipids were determined in Philippine garlic cultivars through bioinformatics analysis in GNPS Molecular Networking Platform and fragmentation analysis. Multivariate statistical analysis using XCMS Online showed the abundance of γ-Glu allyl cysteine in Batanes-sourced garlic while γ-Glu propenyl cysteine, γ-Glu methyl cysteine, and alliin are enriched in the Ilocos cultivar. Principal component analysis showed that the γ-Glu dipeptides found in local garlic influenced their distinct separation across PC1 from imported varieties. This presence of high levels of γ-Glu dipeptides and probiotic oligosaccharides may potentially contribute to the superior flavor and nutritional benefits of Philippine garlic.

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.

scholarly journals LC–MS based metabolic fingerprinting of apricot pistils after self-compatible and self-incompatible pollinations

2020 ◽  
Author(s):  
József Lénárt ◽  
Attila Gere ◽  
Tim Causon ◽  
Stephan Hann ◽  
Mihály Dernovics ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
High Performance ◽  
Differential Expression Analysis ◽  
Principal Component ◽  
Prunus Armeniaca ◽  
Metabolic Fingerprinting ◽  
Negative Ion ◽  
Multivariate Statistical ◽  
Flight Mass Spectrometry ◽  
Incompatibility Reactions

Abstract Key message LC-MS based metabolomics approach revealed that putative metabolites other than flavonoids may significantly contribute to the sexual compatibility reactions in Prunus armeniaca. Possible mechanisms on related microtubule-stabilizing effects are provided. Abstract Identification of metabolites playing crucial roles in sexual incompatibility reactions in apricot (Prunus armeniaca L.) was the aim of the study. Metabolic fingerprints of self-compatible and self-incompatible apricot pistils were created using liquid chromatography coupled to time-of-flight mass spectrometry followed by untargeted compound search. Multivariate statistical analysis revealed 15 significant differential compounds among the total of 4006 and 1005 aligned metabolites in positive and negative ion modes, respectively. Total explained variance of 89.55% in principal component analysis (PCA) indicated high quality of differential expression analysis. The statistical analysis showed significant differences between genotypes and pollination time as well, which demonstrated high performance of the metabolic fingerprinting and revealed the presence of metabolites with significant influence on the self-incompatibility reactions. Finally, polyketide-based macrolides similar to peloruside A and a hydroxy sphingosine derivative are suggested to be significant differential metabolites in the experiment. These results indicate a strategy of pollen tubes to protect microtubules and avoid growth arrest involved in sexual incompatibility reactions of apricot.

scholarly journals Identification of Urine Metabolic Biomarkers for Vogt-Koyanagi-Harada Disease

2021 ◽  
Vol 9 ◽  
Author(s):  
Rui Chang ◽  
Ying Zhu ◽  
Jing Xu ◽  
Lin Chen ◽  
Guannan Su ◽  
...  
Keyword(s):  
High Performance ◽  
Area Under The Curve ◽  
Enrichment Analysis ◽  
Pathway Enrichment Analysis ◽  
Healthy Controls ◽  
Roc Curve Analysis ◽  
Multivariate Statistical ◽  
Flight Mass Spectrometry ◽  
Laboratory Biomarkers ◽  
Vkh Disease

The diagnosis of Vogt-Koyanagi-Harada (VKH) disease is mainly based on a complex clinical manifestation while it lacks objective laboratory biomarkers. To explore the potential molecular biomarkers for diagnosis and disease activity in VKH, we performed an untargeted urine metabolomics analysis by ultra-high-performance liquid chromatography equipped with quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF/MS). Through univariate and multivariate statistical analysis, we found 9 differential metabolites when comparing VKH patients with healthy controls, and 26 differential metabolites were identified when comparing active VKH patients with inactive VKH patients. Pathway enrichment analysis showed that glycine, serine and threonine metabolism, and arginine and proline metabolism were significantly altered in VKH versus healthy controls. Lysine degradation and biotin metabolism pathways were significantly altered in active VKH versus inactive VKH. Furthermore, the receiver operating characteristic (ROC) curve analysis revealed that the combination of acetylglycine and gamma-glutamylalanine could differentiate VKH from healthy controls with an area under the curve (AUC) of 0.808. A combination of ureidopropionic acid and 5′-phosphoribosyl-5-amino-4-imidazolecarboxamide (AICAR) had an excellent AUC of 0.958 for distinguishing active VKH from inactive VKH. In summary, this study identified abnormal metabolites in urine of patients with VKH disease. Further studies are needed to confirm whether these metabolites are specific for this disease.

scholarly journals A Study of the Lipidomic Profiles of the CAL-27 and HOK Cell Lines Using EMS Spectra

2021 ◽  
Vol 11 ◽  
Author(s):  
Xue-ying Wang ◽  
Ting Zhang ◽  
Wei-qun Guan ◽  
Hua-zhu Li ◽  
Ling Lin
Keyword(s):  
Cell Line ◽  
Cell Lines ◽  
Metabolic Pathway ◽  
High Performance ◽  
Bioinformatics Analysis ◽  
Tongue Cancer ◽  
Cancer Cell Line ◽  
Principal Component ◽  
Metabolic Pathway Analysis ◽  
Human Tongue

ObjectiveThe aim of this study was to explore the lipidomic profiles of the CAL-27 human tongue cancer cell line and the human oral keratinocyte (HOK) cell line.MethodsThe lipidomic differences between the CAL-27 and the HOK cell lines were investigated using non-targeted high-performance liquid chromatography–mass spectrometry lipidomic analysis. The resulting data were then further mined via bioinformatics analysis technology and metabolic pathway analysis was conducted in order to map the most affected metabolites and pathways in the two cell lines.ResultsA total of 711 lipids were identified, including 403 glycerophospholipids (GPs), 147 glycerolipids, and 161 sphingolipids. Comparison of the enhanced MS (EMS) spectra of the two cell lines in positive and negative ionization modes showed the lipid compositions of HOK and CAL-27 cells to be similar. The expressions of most GP species in CAL-27 cells showed an increasing trend as compared with HOK, whereas a significant increase in phosphatidylcholine was observed (p < 0.05). Significant differences in the lipid composition between CAL-27 and HOK cells were shown as a heatmap. Through principal component analysis and orthogonal partial least squares discriminant analysis, noticeably clear separation trends and satisfactory clustering trends between groups of HOK and CAL-27 cells were identified. The numbers of specific lipid metabolites that could distinguish CAL-27 from HOK in positive and negative modes were 100 and 248, respectively. GP metabolism was the most significantly altered lipid metabolic pathway, with 4 metabolites differentially expressed in 39 hit products.ConclusionThis study demonstrated the potential of using untargeted mass spectra and bioinformatics analysis to describe the lipid profiles of HOK and CAL-27 cells.

scholarly journals Population-Level Analysis to Determine Parameters That Drive Variation in the Plasma Metabolite Profiles

Metabolites ◽  
2018 ◽  
Vol 8 (4) ◽  
pp. 78 ◽  
Author(s):  
Mahmoud Al-Majdoub ◽  
Katharina Herzog ◽  
Bledar Daka ◽  
Martin Magnusson ◽  
Lennart Råstam ◽  
...  
Keyword(s):  
High Performance ◽  
Principal Component ◽  
Population Level ◽  
Metabolite Profile ◽  
Cross Sectional Study ◽  
Cross Sectional ◽  
Flight Mass Spectrometry ◽  
Multiple Phenotypes ◽  
Metabolite Profiles ◽  
Plasma Metabolite

The plasma metabolome is associated with multiple phenotypes and diseases. However, a systematic study investigating clinical determinants that control the metabolome has not yet been conducted. In the present study, therefore, we aimed to identify the major determinants of the plasma metabolite profile. We used ultra-high performance liquid chromatography (UHPLC) coupled to quadrupole time of flight mass spectrometry (QTOF-MS) to determine 106 metabolites in plasma samples from 2503 subjects in a cross-sectional study. We investigated the correlation structure of the metabolite profiles and generated uncorrelated metabolite factors using principal component analysis (PCA) and varimax rotation. Finally, we investigated associations between these factors and 34 clinical covariates. Our results suggest that liver function, followed by kidney function and insulin resistance show the strongest associations with the plasma metabolite profile. The association of specific phenotypes with several components may suggest multiple independent metabolic mechanisms, which is further supported by the composition of the associated factors.

Metabolic Profiling of Hoodia, Chamomile, Terminalia Species and Evaluation of Commercial Preparations Using Ultrahigh-Performance Liquid Chromatography Quadrupole-Time-of-Flight Mass Spectrometry

Planta Medica ◽  
2017 ◽  
Vol 83 (16) ◽  
pp. 1297-1308 ◽  
Author(s):  
Bharathi Avula ◽  
Yan-Hong Wang ◽  
Giorgis Isaac ◽  
Jimmy Yuk ◽  
Mark Wrona ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
High Resolution Mass Spectrometry ◽  
Time Of Flight ◽  
Principal Component ◽  
Chemical Information ◽  
Multivariate Statistical ◽  
Commercial Products ◽  
Flight Mass Spectrometry ◽  
Ultrahigh Performance Liquid Chromatography

AbstractUltrahigh-performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UHPLC-QToF-MS) profiling was used for the identification of marker compounds and generation of metabolic patterns that could be interrogated using chemometric modeling software. UHPLC-QToF-MS was used to generate comprehensive fingerprints of three botanicals (Hoodia, Terminalia, and chamomile), each having different classes of compounds. Detection of a broad range of ions was carried out in full scan mode in both positive and negative modes over the range m/z 100–1700 using high-resolution mass spectrometry. Multivariate statistical analysis was used to extract relevant chemical information from the data to easily differentiate between Terminalia species, chamomile varieties, and quality control of Hoodia products. Using nontargeted analysis, identification of 37 compounds contributed to the differences between Terminalia species, 26 flavonoids were identified to show the differences between German and Roman chamomile, and 43 pregnane glycosides were identified from Hoodia gordonii samples. The UHPLC-QToF-MS-based chemical fingerprinting with principal component analysis was able to correctly distinguish botanicals and their commercial products. This work can be used as a basis to assure the quality of botanicals and commercial products.

scholarly journals Profiling of Altered Metabolomic States in Bidens pilosa Leaves in Response to Treatment by Methyl Jasmonate and Methyl Salicylate

Plants ◽  
2020 ◽  
Vol 9 (10) ◽  
pp. 1275
Author(s):  
Anza-Tshilidzi Ramabulana ◽  
Paul A. Steenkamp ◽  
Ntakadzeni E. Madala ◽  
Ian A. Dubery
Keyword(s):  
Methyl Jasmonate ◽  
Methyl Salicylate ◽  
High Performance ◽  
Biological Significance ◽  
Response To Treatment ◽  
Signal Molecules ◽  
Bidens Pilosa ◽  
Multivariate Statistical ◽  
Geometrical Isomers ◽  
Flight Mass Spectrometry

Bidens pilosa (Asteraceae) is an edible medicinal plant with many bioactivities reported to have a health-beneficial role in controling various diseases. Though B. pilosa contain a diverse array of natural products, these are produced in relatively low concentrations. A possible way to enhance secondary metabolite production can be through the use of elicitors. Here, the effects of exogenous treatments with two signal molecules—methyl jasmonate (MeJA) and methyl salicylate (MeSA)—on the metabolomic profiles of B. pilosa leaves were investigated. Plants were treated with 0.5 mM of MeJA or MeSA and harvested at 12 h and 24 h. Metabolites were extracted with methanol and separated on an ultra-high performance liquid chromatography system hyphenated to quadrupole time-of-flight mass spectrometry detection. Data was subjected to multivariate statistical analysis and modeling for annotation of metabolites. Hydroxycinnamic acid (HCA) derivatives, such as caffeoylquinic acids (CQAs), tartaric acid esters (chicoric acid and caftaric acid), chalcones, and flavonoids were identified as differentially regulated. The altered metabolomes in response to MeSA and MeJA overlapped to a certain extent, suggestive of a cross-talk between signaling and metabolic pathway activation. Moreover, the perturbation of isomeric molecules, especially the cis geometrical isomers of HCA derivatives by both treatments, further point to the biological significance of these molecules during physiological responses to stress. The results highlight the possibility of using phytohormones to enhance the accumulation of bioactive secondary metabolites in this plant.

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