scholarly journals A Pilot Study on Characteristics of Metabolomics and Lipidomics according to Sasang Constitution

2018 ◽  
Vol 2018 ◽  
pp. 1-12 ◽  
Author(s):  
Min Jung Kim ◽  
Da-Hye Lee ◽  
Jiyun Ahn ◽  
Tae-Youl Ha ◽  
Young Jin Jang ◽  
...  
Keyword(s):  
Pilot Study ◽  
High Performance ◽  
The Other ◽  
Metabolomics Data ◽  
Flight Mass Spectrometry ◽  
Sasang Constitution ◽  
Canonical Pathways ◽  
Phenylalanine Metabolism ◽  
Lipid Metabolites

Although classification of an individual’s Sasang constitution is a key step in the prescription of traditional Korean medicine, the classifying process is complex and not objective. Identification of metabolic-based biomarkers could allow the development of a reliable and sensitive classification technique and even therapeutic management. Our pilot study investigated whether metabolites in plasma are characteristic of Sasang constitutions. Ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry-based metabolic analysis was conducted against 15 Soyangin (SY), 15 Taeeumin (TE), and 18 Soeumin (SE) individuals, as classified according to the Questionnaire for Sasang Constitution Classification II (QSCC II) and specialist diagnosis. Metabolomics data showed that the TE group was significantly separated from the SY and SE groups. Nine canonical pathways related to constitution; phenylalanine metabolism, aminoacyl-tRNA, tyrosine, and tryptophan biosynthesis were activated in the TE group as compared with the other groups. Similar to the results of the metabolomics analysis, the TE group was also significantly separated from the other two groups by lipidomic analysis. On the other hand, the intensity of lipid metabolites was higher in the SY group than in the other groups. Our findings suggest that the combined analysis of metabolomics and lipidomics can provide useful information for characteristics of Sasang constitutions.

scholarly journals Simultaneous Profiling and Holistic Comparison of the Metabolomes among the Flower Buds of Panax ginseng, Panax quinquefolius, and Panax notoginseng by UHPLC/IM-QTOF-HDMSE-Based Metabolomics Analysis

Molecules ◽  
2019 ◽  
Vol 24 (11) ◽  
pp. 2188 ◽  
Author(s):  
Li Jia ◽  
Tiantian Zuo ◽  
Chunxia Zhang ◽  
Weiwei Li ◽  
Hongda Wang ◽  
...  
Keyword(s):  
High Performance ◽  
Three Dimensional ◽  
Panax Notoginseng ◽  
High Definition ◽  
Flower Buds ◽  
Flower Bud ◽  
Species Classification ◽  
Metabolomics Data ◽  
Flight Mass Spectrometry ◽  
Panax Species

The flower buds of three Panax species (PGF: flower bud of P. ginseng; PQF: flower bud of P. quinquefolius; PNF: flower bud of P. notoginseng), widely consumed as healthcare products, are easily confused particularly in the extracts or traditional Chinese medicine (TCM) formulae. We are aimed to develop an untargeted metabolomics approach, by ultra-high performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS) to unveil the chemical markers diagnostic for the differentiation of PGF, PQF, and PNF. Key parameters affecting chromatographic separation and MS detection were optimized in sequence. Forty-two batches of flower bud samples were analyzed in negative high-definition MSE (HDMSE; enabling three-dimensional separations). Efficient metabolomics data processing was performed by Progenesis QI (Waters, Milford, MA, USA), while pattern-recognition chemometrics was applied for species classification and potential markers discovery. Reference compounds comparison, analysis of both HDMSE and targeted MS/MS data, and retrieval of an in-house ginsenoside library, were simultaneously utilized for the identification of discovered potential markers. Satisfactory conditions for metabolite profiling were achieved on a BEH Shield RP18 column and Vion™ IMS-QTOF instrument (Waters; by setting the capillary voltage of 1.0 kV and the cone of voltage 20 V) within 37 min. A total of 32 components were identified as the potential markers, of which Rb3, Ra1, isomer of m-Rc/m-Rb2/m-Rb3, isomer of Ra1/Ra2, Rb1, and isomer of Ra3, were the most important for differentiating among PGF, PQF, and PNF. Conclusively, UHPLC/IM-QTOF-MS-based metabolomics is a powerful tool for the authentication of TCM at the metabolome level.

scholarly journals Classification of Raw Stingless Bee Honeys by Bee Species Origins using NMR-LCMS-based Metabolomics Approach

2018 ◽  
Author(s):  
Muhammad Taufiq Atsifa Razali ◽  
Zaim Akmal Zainal ◽  
Maulidiani Maulidiani ◽  
Khozirah Shaari ◽  
Zulkifli Zambri ◽  
...  
Keyword(s):  
1H Nmr ◽  
High Performance ◽  
Stingless Bee ◽  
Proton Nuclear Magnetic Resonance ◽  
Flight Mass Spectrometry ◽  
Nmr Data ◽  
Classification Technique ◽  
Diagnostic Ions

Background: The official standard for quality control of honey is currently based on physicochemical properties. However, this method is time-consuming, cost intensive, and do not lead to information on the originality of honey. This study aims to classify raw stingless bee honeys by bee species origins as a potential classifier using NMR-LCMS-based metabolomics approach. Methods: Raw stingless bee honeys were analysed and classified by bee species origins using proton nuclear magnetic resonance (1H NMR) spectroscopy and an ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-QTOF MS) in combination with chemometrics tools. Results: The honey samples were able to be classified into three different groups based on the bee species origins of Heterotrigona itama, Geniotrigona thoracica, and Tetrigona apicalis. D-Fructofuranose (H. itama honey), β-D-Glucose, D-Xylose, α-D-Glucose (G. thoracica honey), and L-Lactic acid, Acetic acid, L-Alanine (T. apicalis honey) identified via 1H NMR data and the diagnostic ions of UHPLC-QTOF MS were characterized as the discriminant metabolites or putative chemical markers. Conclusion: It could be suggested that the quality of honey in terms of originality and purity can be rapidly determined using classification technique by bee species origins via 1H NMR- and UHPLC-QTOF MS-based metabolomics approach.

scholarly journals Classification of Raw Stingless Bee Honeys by Bee Species Origins Using the NMR- and LC-MS-Based Metabolomics Approach

Molecules ◽  
2018 ◽  
Vol 23 (9) ◽  
pp. 2160 ◽  
Author(s):  
Muhammad Razali ◽  
Zaim Zainal ◽  
M. Maulidiani ◽  
Khozirah Shaari ◽  
Zulkifli Zamri ◽  
...  
Keyword(s):  
1H Nmr ◽  
High Performance ◽  
Stingless Bee ◽  
Proton Nuclear Magnetic Resonance ◽  
Flight Mass Spectrometry ◽  
Nmr Data ◽  
Classification Technique ◽  
Diagnostic Ions

The official standard for quality control of honey is currently based on physicochemical properties. However, this method is time-consuming, cost intensive, and does not lead to information on the originality of honey. This study aims to classify raw stingless bee honeys by bee species origins as a potential classifier using the NMR-LCMS-based metabolomics approach. Raw stingless bee honeys were analysed and classified by bee species origins using proton nuclear magnetic resonance (1H-NMR) spectroscopy and an ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-QTOF MS) in combination with chemometrics tools. The honey samples were able to be classified into three different groups based on the bee species origins of Heterotrigona itama, Geniotrigona thoracica, and Tetrigona apicalis. d-Fructofuranose (H. itama honey), β-d-Glucose, d-Xylose, α-d-Glucose (G. thoracica honey), and l-Lactic acid, Acetic acid, l-Alanine (T. apicalis honey) ident d-Fructofuranose identified via 1H-NMR data and the diagnostic ions of UHPLC-QTOF MS were characterized as the discriminant metabolites or putative chemical markers. It could be suggested that the quality of honey in terms of originality and purity can be rapidly determined using the classification technique by bee species origins via the 1H-NMR- and UHPLC-QTOF MS-based metabolomics approach.

scholarly journals Identification of Metabolites and Metabolic Pathways Related to Treatment with Bufei Yishen Formula in a Rat COPD Model Using HPLC Q-TOF/MS

2015 ◽  
Vol 2015 ◽  
pp. 1-9 ◽  
Author(s):  
Liping Yang ◽  
Jiansheng Li ◽  
Ya Li ◽  
Yange Tian ◽  
Suyun Li ◽  
...  
Keyword(s):  
Metabolic Pathways ◽  
High Performance ◽  
Acid Metabolism ◽  
Phospholipid Metabolism ◽  
Chinese Herbs ◽  
Chronic Obstructive ◽  
Obstructive Pulmonary Disease ◽  
Flight Mass Spectrometry ◽  
Pathways Analysis ◽  
Phenylalanine Metabolism

As a traditional Chinese medicine, Bufei Yishen Formula (BYF) is widely used in China as an effective treatment for chronic obstructive pulmonary disease (COPD). Because of the component complexity and multiple activities of Chinese herbs, the mechanism whereby BYF affects COPD is not yet fully understood. Herein, pulmonary function experiments and histomorphological assessments were used to evaluate the curative effect of BYF, which showed that BYF had an effect on COPD. Additionally, a high performance liquid chromatography quadrupole time-of-flight mass spectrometry (HPLC QTOF/MS) metabonomics method was used to analyze the mechanism of the actions of BYF on rats with COPD induced by a combination of bacteria and smoking. Partial least squares discriminate analysis (PLS-DA) was used to screen biomarkers related to BYF treatment. Candidate biomarkers were selected and pathways analysis of these metabolites showed that three types of metabolic pathways (unsaturated fatty acid metabolism-related pathways, phenylalanine metabolism-related pathways, and phospholipid metabolism-related pathways) were associated with BYF treatment. Importantly, arachidonic acid and related metabolic pathways might be useful targets for novel COPD therapies.

scholarly journals A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of Notopterygii Rhizoma et Radix from Different Regions

Molecules ◽  
2019 ◽  
Vol 24 (19) ◽  
pp. 3574 ◽  
Author(s):  
Xie-An Yu ◽  
Jin Li ◽  
John Teye Azietaku ◽  
Wei Liu ◽  
Jun He ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
High Performance ◽  
Internal Standard ◽  
Chemical Markers ◽  
Accurate Identification ◽  
Flight Mass Spectrometry ◽  
Single Standard ◽  
Components Method ◽  
Fisher’S Discriminant Analysis

An ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry is used to identify 33 compounds in Notopterygii rhizoma and radix, after which a single standard to determine multi-components method is established for the simultaneous determination of 19 compounds in Notopterygii rhizoma and radix using chlorogenic acid and notopterol as the internal standard. To screen the potential chemical markers among Notopterygii rhizoma and radix planted in its natural germination area and in others, the quantitative data of 19 compounds are analyzed via partial least-squares discriminant analysis (PLS–DA). Depending on the variable importance parameters (VIP) value of PLS–DA, six compounds are selected to be the potential chemical markers for the discrimination of Notopterygii rhizoma and radix planted in the different regions. Furthermore, the Fisher’s discriminant analysis is used to build the models that are used to classify Notopterygii rhizoma and radix from the different regions based on the six chemical markers. Experimental results indicate that Notopterygii rhizoma and radix planted in the Sichuan province are distinguished successfully from those in other regions, reaching a 96.0% accuracy rating. Therefore, a single standard to determine multi-components method combined with a chemometrics method, which contains the advantages such as simple, rapid, economical and accurate identification, offers a new perspective for the quantification, evaluation and classification of Notopterygii rhizoma and radix from the different regions.

An improved separation method for classification of Macleaya cordata from different geographical origins

2015 ◽  
Vol 7 (5) ◽  
pp. 1866-1871 ◽  
Author(s):  
Zhi-Xing Qing ◽  
Xiu-Bin Liu ◽  
Hui-Min Wu ◽  
Pi Cheng ◽  
Yi-Song Liu ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Performance ◽  
Separation Method ◽  
Flight Mass Spectrometry ◽  
Macleaya Cordata ◽  
Metabolomic Study ◽  
Tof Ms

In this study, an improved separation method for the metabolomic study of polar and basic secondary metabolites by high-performance liquid chromatography-quadrupole-time-of-flight-mass spectrometry (HPLC-Q-TOF-MS) using an “Xcharge C18” column has been developed.

scholarly journals Impact of Tigecycline Versus Other Antibiotics on the Fecal Metabolome and on Colonization Resistance to Clostridium difficile in Mice

2017 ◽  
Vol 2 (1) ◽  
pp. 1 ◽  
Author(s):  
Robin L.P. Jump ◽  
David Kraft ◽  
Kelly Hurless ◽  
Alex Polinkovsky ◽  
Curtis J. Donskey
Keyword(s):  
Clostridium Difficile ◽  
Intestinal Microbiota ◽  
High Performance ◽  
The Other ◽  
Colonization Resistance ◽  
Bacterial Metabolites ◽  
Metabolic Functions ◽  
Short Period ◽  
Lipid Metabolites

Background: The glycylcycline antibiotic tigecycline may have a relatively low propensity to promote Clostridium difficile infection in part because it causes less disruption of the indigenous intestinal microbiota than other broad-spectrum antibiotics.  We used a mouse model to compare the compare the effects of tigecycline versus other commonly used antibiotics on colonization resistance to C. difficile and on metabolic functions of the intestinal microbiota.   Methods: To assess in vivo colonization resistance to C. difficile, mice were challenged with oral C. difficile spores 1, 7, or 12 days after completion of 3 days of treatment with subcutaneous saline, tigecycline, ceftriaxone, piperacillin-tazobactam, or linezolid.  Levels of bacterial metabolites in fecal specimens of mice treated with the same antibiotics were analyzed using non-targeted metabolic profiling by gas chromatograph (GC)/mass spectrometry (MS) and ultra-high performance liquid chromatography-tandem MS (UPLC-MS/MS).  Results:  All of the antibiotics disrupted colonization resistance to C. difficile when challenge occurred 2 days after treatment.  Only piperacillin/tazobactam and ceftriaxone-treated mice had disturbed colonization resistance at 7 days after treatment.  All of the antibiotics altered fecal metabolites in comparison to controls, but tigecycline caused significantly less alteration than the other antibiotics, including less suppression of multiple amino acids, bile acids, and lipid metabolites.   Conclusions:  Tigecycline and linezolid caused transient disruption of colonization resistance to C. difficile, whereas ceftriaxone and piperacillin/tazobactam caused disruption that persisted for 7 days post-treatment.  Tigecycline caused less profound alteration of fecal bacterial metabolites than the other antibiotics, suggesting that the relatively short period of disruption of colonization resistance might be related in part to reduced alteration of the metabolic functions of the microbiota

Consistency in Latency Measurements and Interpretation of ABR Tracings

1997 ◽  
Vol 6 (1) ◽  
pp. 57-62 ◽  
Author(s):  
Wayne O. Olsen ◽  
Terri L. Pratt ◽  
Christopher D. Bauch
Keyword(s):  
The Other

Multichannel ABR recordings for 30 otoneurologic patients were reviewed independently by three audiologists to assess interjudge consistency in determining absolute latencies and overall interpretation of ABR results. Four months later, the tracings were reviewed a second time to evaluate intrajudge consistency in interpretation of ABR waveforms. Interjudge agreement in marking latencies for waves I, III, and V within 0.2 ms was on the order of 90% or better. Intrajudge consistency was slightly higher. Only rarely did inter- or intrajudge differences in latency measurements exceed 0.3 ms. Agreement in overall interpretation of ABR results as "normal" or "abnormal" was unanimous for 90% of the patients. Across pairs of judges, the agreement for "normal" and "abnormal" classification of the ABR tracings was 97%. Intrajudge consistency for "normal" and "abnormal" categorization of the ABR results was 100% for one judge, 97% for the other two judges.

RHYNCHOLITES AND THE PROBLEM OF NARROW AND BROAD CONCEPTION OF TAXONS

2018 ◽  
pp. 12-17 ◽  
Author(s):  
I. R. Khuzina ◽  
V. N. Komarov
Keyword(s):  
Sexual Dimorphism ◽  
Morphological Characteristics ◽  
Mass Scale ◽  
Individual Variability ◽  
Point Of View ◽  
The Other ◽  
New Taxon ◽  
Artificial System ◽  
Broad Understanding

The paper considers a point of view, based on the conception of the broad understanding of taxons. According to this point of view, rhyncholites of the subgenus Dentatobeccus and Microbeccus are accepted to be synonymous with the genus Rhynchoteuthis, and subgenus Romanovichella is considered to be synonymous with the genus Palaeoteuthis. The criteria, exercising influence on the different approaches to the classification of rhyncholites, have been analyzed (such as age and individual variability, sexual dimorphism, pathological and teratological features, degree of disintegration of material), underestimation of which can lead to inaccuracy. Divestment of the subgenuses Dentatobeccus, Microbeccus and Romanovichella, possessing very bright morphological characteristics, to have an independent status and denomination to their synonyms, has been noted to be unjustified. An artificial system (any suggested variant) with all its minuses is a single probable system for rhyncholites. The main criteria, minimizing its negative sides and proving the separation of the new taxon, is an available mass-scale material. The narrow understanding of the genus, used in sensible limits, has been underlined to simplify the problem of the passing the view about the genus to the other investigators and recognition of rhyncholites for the practical tasks.

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