scholarly journals Study of the dynamic changes in the chemical constituents of Soapberry (Sapindus mukorossi Gaertn.) pericarp during fruit development by a non-targeted metabolomics approach

2021 ◽  
Author(s):  
Yuanyuan Xu ◽  
Yuan Gao ◽  
Zhong Chen ◽  
Guochun Zhao ◽  
Jiming Liu ◽  
...  
Keyword(s):  
Fruit Development ◽  
High Performance ◽  
Chemical Constituents ◽  
Biomass Energy ◽  
Alpha Tocopherol ◽  
Targeted Metabolomics ◽  
Dynamic Changes ◽  
Kegg Pathways ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive

Abstract Soapberry (Sapindus mukorossi Gaertn.) is a multi-functional tree, which is widely used in daily chemicals, biomedicine, biomass energy and landscaping. The pericarp of soapberry can be used as medicine or detergent. However, there is no systematic study on chemical constituents of soapberry pericarp in fruit development, and the dynamic changes of these constituents are far from clear. In this study, we applied a non-targeted metabolomics approach using an ultra-high performance liquid chromatography-Q Exactive HF hybrid quadrupole-Orbitrap mass spectrometer (UHPLC-QE-HF-MS) to comprehensively profile the variations of metabolites in soapberry pericarp at eight fruit development stages. The metabolome coverage of UHPLC-QE-HF-MS on a HILIC column was higher than that of a C18 column. A total of 111 metabolites were putatively identified, and these metabolites showed three accumulation patterns (pre-accumulation, mid-accumulation and post-accumulation) with fruit development. Twenty-five of these 111 metabolites (including amino acids and their derivatives, flavonoids, organic acids, fatty acids, nucleotides and their derivatives, alkaloids, carbohydrates, terpenoids, vitamins, phosphorylated intermediates) were present at significantly different levels between the two adjacent stages, which were involved in 13 KEGG pathways, among them 5 pathways (flavonoid biosynthesis; histidine metabolism; aminoacyl-tRNA biosynthesis; flavone and flavonol biosynthesis; and phenylalanine, tyrosine and tryptophan biosynthesis) were most relevant. S8 stage (fruit ripening stage) is the most suitable stage for fruit harvesting to utilize the pericarp, during which the accumulation of many bioactive and valuable metabolites (e.g., furamizole, alpha-tocopherol quinone, sucrose) in the pericarp was highest. To the best of our knowledge, this was the first time that the metabolomics in soapberry pericarp during the whole fruit development was profiled. This study will be beneficial to guide the harvesting, processing and application, and pave the way for further studies on the biosynthesis mechanism of the main metabolites of the soapberry pericarp.

scholarly journals High-Throughput Identification of Organic Compounds from Polygoni Multiflori Radix Praeparata (Zhiheshouwu) by UHPLC-Q-Exactive Orbitrap-MS

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3977
Author(s):  
Shaoyun Wang ◽  
Xiaozhu Sun ◽  
Shuo An ◽  
Fang Sang ◽  
Yunli Zhao ◽  
...  
Keyword(s):  
High Performance ◽  
Chemical Constituents ◽  
Water Extract ◽  
Ethanol Extract ◽  
In Vivo Studies ◽  
Polygonum Multiflorum ◽  
Q Exactive ◽  
Orbitrap Ms

Polygoni Multiflori Radix Praeparata (PMRP), as the processed product of tuberous roots of Polygonum multiflorum Thunb., is one of the most famous traditional Chinese medicines, with a long history. However, in recent years, liver adverse reactions linked to PMRP have been frequently reported. Our work attempted to investigate the chemical constituents of PMRP for clinical research and safe medication. In this study, an effective and rapid method was established to separate and characterize the constituents in PMRP by combining ultra-high performance liquid chromatography with hybrid quadrupole-orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap-MS). Based on the accurate mass measurements for molecular and characteristic fragment ions, a total of 103 compounds, including 24 anthraquinones, 21 stilbenes, 15 phenolic acids, 14 flavones, and 29 other compounds were identified or tentatively characterized. Forty-eight compounds were tentatively characterized from PMRP for the first time, and their fragmentation behaviors were summarized. There were 101 components in PMRP ethanol extract (PMRPE) and 91 components in PMRP water extract (PMRPW). Simultaneously, the peak areas of several potential xenobiotic components were compared in the detection, which showed that PMRPE has a higher content of anthraquinones and stilbenes. The obtained results can be used in pharmacological and toxicological research and provided useful information for further in vitro and in vivo studies.

scholarly journals Rapid Characterizaiton of Chemical Constituents of the Tubers of Gymnadenia conopsea by UPLC–Orbitrap–MS/MS Analysis

Molecules ◽  
2020 ◽  
Vol 25 (4) ◽  
pp. 898
Author(s):  
Xin Wang ◽  
Xiang-Jian Zhong ◽  
Na Zhou ◽  
Ning Cai ◽  
Jia-Hui Xu ◽  
...  
Keyword(s):  
Phenolic Acid ◽  
High Performance ◽  
Chemical Constituents ◽  
Scientific Basis ◽  
Negative Ion ◽  
Chemical Components ◽  
Gymnadenia Conopsea ◽  
Orbitrap Mass Spectrometer ◽  
First Time ◽  
Orbitrap Ms

Gymnadenia conopsea R. Br. is a traditional Tibetan medicinal plant that grows at altitudes above 3000 m, which is used to treat neurasthenia, asthma, coughs, and chronic hepatitis. However, a comprehensive configuration of the chemical profile of this plant has not been reported because of the complexity of its chemical constituents. In this study, a rapid and precise method based on ultra-high performance liquid chromatography (UPLC) combined with an Orbitrap mass spectrometer (UPLC–Orbitrap–MS/MS) was established in both positive- and negative-ion modes to rapidly identify various chemical components in the tubers of G. conopsea for the first time. Finally, a total of 91 compounds, including 17 succinic acid ester glycosides, 9 stilbenes, 6 phenanthrenes, 19 alkaloids, 11 terpenoids and steroids, 20 phenolic acid derivatives, and 9 others, were identified in the tubers of G. conopsea based on the accurate mass within 3 ppm error. Furthermore, many alkaloids, phenolic acid derivates, and terpenes were reported from G. conopsea for the first time. This rapid method provides an important scientific basis for further study on the cultivation, clinical application, and functional food of G. conopsea.

scholarly journals Mass Spectrometry-based Proteomics Using Q Exactive, a High-performance Benchtop Quadrupole Orbitrap Mass Spectrometer

2011 ◽  
Vol 10 (9) ◽  
pp. M111.011015 ◽  
Author(s):  
Annette Michalski ◽  
Eugen Damoc ◽  
Jan-Peter Hauschild ◽  
Oliver Lange ◽  
Andreas Wieghaus ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectrometer ◽  
High Performance ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive

scholarly journals Rapid Identification of Chemical Constituents in Artemisia argyi Lévi. et Vant by UPLC-Q-Exactive-MS/MS

2021 ◽  
Vol 2021 ◽  
pp. 1-7
Author(s):  
Lili Cui ◽  
Xianzhong Wang ◽  
Jie Lu ◽  
Jing Tian ◽  
Li Wang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Weight ◽  
High Performance Liquid Chromatography ◽  
High Performance ◽  
Chemical Constituents ◽  
Rapid Identification ◽  
Artemisia Argyi ◽  
Orbitrap Mass Spectrometry ◽  
Q Exactive ◽  
Standard Library

Artemisia argyi Lévi. et Vant is a traditional Chinese medicine with a long history, and its buds and seedlings can be used as vegetables. However, the investigations on the chemical constituents of A. argyi are not sufficient. In this paper, ultra-high performance liquid chromatography tandem hybrid quadrupole-orbitrap mass spectrometry (UPLC-Q-Exactive-MS/MS) was used to identify the chemical constituents of A. argyi. The Q Exactive mass spectrometer was used to collect MS and MS2 data. Finally, 125 compounds were preliminarily identified in A. argyi by comparing the retention time and accurate molecular weight with standard databases such as MZVault, MZCloud, and BGI Library (self-built standard Library by BGI Co., Ltd), including flavonoids, phenylpropanoids, terpenoids, and organic acids.

scholarly journals Metabolomics Insights into Chemical Convergence in Xanthomonas perforans and Metabolic Changes Following Treatment with the Small Molecule Carvacrol

Metabolites ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 879
Author(s):  
Mustafa Ojonuba Jibrin ◽  
Qingchun Liu ◽  
Joy Guingab-Cagmat ◽  
Jeffrey B. Jones ◽  
Timothy J. Garrett ◽  
...  
Keyword(s):  
Small Molecule ◽  
High Performance ◽  
Plant Pathogens ◽  
Standard Procedure ◽  
Bacterial Strains ◽  
Xanthomonas Perforans ◽  
Orbitrap Mass Spectrometer ◽  
Microbial System ◽  
Q Exactive

Microbes are natural chemical factories and their metabolome comprise diverse arrays of chemicals. The genus Xanthomonas comprises some of the most important plant pathogens causing devastating yield losses globally and previous studies suggested that species in the genus are untapped chemical minefields. In this study, we applied an untargeted metabolomics approach to study the metabolome of a globally spread important xanthomonad, X. perforans. The pathogen is difficult to manage, but recent studies suggest that the small molecule carvacrol was efficient in disease control. Bacterial strains were treated with carvacrol, and samples were taken at time intervals (1 and 6 h). An untreated control was also included. There were five replicates for each sample and samples were prepared for metabolomics profiling using the standard procedure. Metabolomics profiling was carried out using a thermo Q-Exactive orbitrap mass spectrometer with Dionex ultra high-performance liquid chromatography (UHPLC) and an autosampler. Annotation of significant metabolites using the Metabolomics Standards Initiative level 2 identified an array of novel metabolites that were previously not reported in Xanthomonas perforans. These metabolites include methoxybrassinin and cyclobrassinone, which are known metabolites of brassicas; sarmentosin, a metabolite of the Passiflora-heliconiine butterfly system; and monatin, a naturally occurring sweetener found in Sclerochiton ilicifolius. To our knowledge, this is the first report of these metabolites in a microbial system. Other significant metabolites previously identified in non-Xanthomonas systems but reported in this study include maculosin; piperidine; β-carboline alkaloids, such as harman and derivatives; and several important medically relevant metabolites, such as valsartan, metharbital, pirbuterol, and ozagrel. This finding is consistent with convergent evolution found in reported biological systems. Analyses of the effect of carvacrol in time-series and associated pathways suggest that carvacrol has a global effect on the metabolome of X. perforans, showing marked changes in metabolites that are critical in energy biosynthesis and degradation pathways, amino acid pathways, nucleic acid pathways, as well as the newly identified metabolites whose pathways are unknown. This study provides the first insight into the X. perforans metabolome and additionally lays a metabolomics-guided foundation for characterization of novel metabolites and pathways in xanthomonad systems.

Identification of the toxic components in Semen Strychni and their metabolites in rat serum by high performance liquid chromatography coupled with a Q Exactive high-resolution benchtop quadrupole Orbitrap mass spectrometer

RSC Advances ◽  
2015 ◽  
Vol 5 (95) ◽  
pp. 77689-77698 ◽  
Author(s):  
Shujuan Li ◽  
Meiyu Zhang ◽  
Pengyi Hou ◽  
Ruowen Zhang ◽  
Chenzhi Hou ◽  
...  
Keyword(s):  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Resolution ◽  
High Performance ◽  
Rat Serum ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive ◽  
Semen Strychni

Scheme of the identification of components in vitro and in vivo.

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