Ultra‐performance liquid chromatography/time‐of‐flight mass spectrometry based metabolomics of raw and steamed <i>Panax notoginseng</i>

Chan, Eric Chun Yong; Yap, Swee-Lee; Lau, Aik Jiang; Leow, Pay-Chin; Toh, Ding-Fung; Koh, Hwee‐Ling

doi:10.1002/rcm.2864

Cited by 166 publications

(109 citation statements)

References 20 publications

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“…Hence, it was important to validate the mass measurement of the TOF mass spectrometer [17]. In order to obtain accurate MS data, a group of known low-moleculer-weight (between 100 and 1500 m/z) compounds, including acetaminophen, tolbutamide, 39-azido-39-deoxythymidine, reserpine, verapamil, coumarin, ginsenoside Rb1, ginsenoside F1, ginsenoside Rb2, notoginsenoside R4, was utilized to determine the mass accuracy of the instrument and the average mass accuracy was determined to be 1.18 ppm.…”

Section: Mass Detection Conditionsmentioning

confidence: 99%

“…The ability to generate high peak capacities in short time by UPLC has facilitated the simultaneous analysis of the complex samples (e. g., herbal extracts and biological samples) with diverse chemical characteristics [22,24,25]. Several profound reports have covered the application of UPLC to pharmaceutical analyses [26 -31] particularly in the field of metabolism or metabolomic studies [17,22,23,26,27,32].…”

Section: Introductionmentioning

confidence: 99%

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Ultra‐performance LC/TOF MS analysis of medicinal Panax herbs for metabolomic research

Xie

Plumb

et al. 2008

J of Separation Science

159

108

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Original Paper Ultra-performance LC/TOF MS analysis of medicinal Panax herbs for metabolomic researchIn this study, metabolite profiling of five medicinal Panax herbs including Panax ginseng (Chinese ginseng), Panax notoginseng (Sanchi), Panax japonicus (Rhizoma Panacis Majoris), Panax quinquefolium L. (American ginseng), and P. ginseng (Korean ginseng) were performed using ultra-performance LC-quadrupole TOF MS (UPLC-QTOFMS) and multivariate statistical analysis technique. Principal component analysis (PCA) of the analytical data showed that the five Panax herbs could be separated into five different groups of phytochemicals. The chemical markers such as ginsenoside Rf, 20(S)-pseudoginsenoside F11, malonyl gisenoside Rb1, and gisenoside Rb2 accountable for such variations were identified through the loadings plot of PCA, and were identified tentatively by the accurate mass of TOFMS and partially verified by the available reference standards. Results from this study indicate that the proposed method is reliable for the rapid analysis of a group of metabolites present in herbal medicines and other natural products and applicable in the differentiation of complex samples that share similar chemical ingredients. IntroductionMetabolomics aims to identify and quantify the full complement of low-molecular-weight, soluble metabolites in actively metabolizing tissues [1 -4], which has aroused extensive awareness and interests, especially in the botanical studies such as quality control of plants [5 -9], plant engineering [10, 11] using a number of techniques including NMR or different combinations of LC, GC, and MS. Also, based on the multivariate analysis of complex biological profiles, metabolomics has been successfully applied to plant genotype discrimination and differentiation [1, 12 -14]. Plants are rich in chemically diverse metabolites, which cannot be completely detected by a single analytical method currently available in phytochemical laboratories. Over the past 20 years, HPLC/MS (LC/MS) has become one of the main analytical techniques used in controlling the quality and consistency of both the chemical markers and active substances of traditional Chinese medicines (TCMs). Despite early claims that MS, and particularly MS/MS, is able to remove the need for good chromatographic separation in the analysis of low abundance samples, a poor LC run prior to MS analysis will lead to issues of ion suppression and isobaric interferences that cannot be overcome by a spectrometer alone. More recently, the desire for significantly reduced analysis time with increased sample throughput, resolution, and sensitivity has resulted in the development of ultrafast separation and identification using LC-MS techniques [15,16]. Among the various LC platforms, ultra-performance LC (UPLC) is considered suitable for metabolite profiling and metabolomics [17 -28], especially, for large-scale untargeted metabolic profiling due to its enhanced reproducibility in retention time [24]. The ability to generate high peak capacities in short...

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Section: Mass Detection Conditionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Ultra‐performance LC/TOF MS analysis of medicinal Panax herbs for metabolomic research

Xie

Plumb

et al. 2008

J of Separation Science

159

108

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“…A number of techniques including nuclear magnetic resonance (NMR), liquid chromatography (LC) or gas chromatography (GC) coupled with mass spectrometry (MS) have been employed for metabolite profiling (Fiehn et al 2000;Want et al 2005;Fukusaki et al 2006;Nordstrom et al 2006;Wagner et al 2006;Farag et al 2007). While the NMR metabolite profiling approach provides the valuable metabolite signature of a complex sample, LC-MS has higher sensitivity, resolution and resolves individual chemical components into separate peaks, enhancing the opportunity to mine and uncover novel metabolites (Chan et al 2007). Unlike GC-MS, LC-MS is in principle a more versatile analytical tool.…”

Section: Articlementioning

confidence: 99%

“…Among the various LC platforms, the soaring development of column particle materials has highlighted a new addition to chromatographic separation technology, the ultra-performance liquid chromatography (UPLC), which allows satisfactory separation, good resolution and sensitivity, and high-speed detection (Shen et al 2005;Wilson et al 2005;Nordstrom et al 2006) with complex biological samples, such as herbal medicine (Guan et al 2007). Coupled to quadrupole time-of-flight mass spectrometry (QTOFMS), UPLC/QTOFMS was used to achieve comprehensive and reliable metabolite profiling (Nordstrom et al 2006) and recently the UPLC coupled with MS has been used for metabolite profiling in herbal medicine successfully both by other researchers and our group (Chan et al 2007;Xie et al 2008).Panax ginseng, Panax notoginseng and Panax japonicus are all highly valuable and important tonic herbs belonging to Panax genus cultivated in different locations in China. While the P. ginseng, mainly cultivated in northeastern China, Jilin, for example, is used in traditional Chinese medicine (TCM) to enhance stamina and capacity coping with fatigue and physical stress.…”

mentioning

confidence: 99%

Application of ultra-performance LC-TOF MS metabolite profiling techniques to the analysis of medicinal Panax herbs

Xie

Ming

et al. 2008

Metabolomics

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Abstract:The morphological appearance and some ingredients of Panax ginseng, Panax notoginseng and Panax japonicus of the Panax genus are similar. However, their pharmacological activities are obviously different due to the significant differences in the types and quantity of saponins in each herb. In the present study, ultra-performance liquid chromatography-quadrupole time-offlight mass spectrometry (UPLC-QTOFMS) was used to profile the abundances of metabolites in the three medicinal Panax herbs. Multivariate statistical analysis technique, that is, principle component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) were used to discriminate between the Panax samples. PCA of the analytical data showed a clear separation of compositions among the three medicinal herbs. The critical markers such as chikusetsusaponin IVa, ginsenoside R0, ginsenoside Rc, ginsenoside Rb1, ginsenoside Rb2 and ginsenoside Rg2 accountable for such variations were identified through the corresponding loading weights, and the tentative identification of biomarkers is completed by the accurate mass of TOFMS and high resolution and high retention time reproducibility performed by UPLC. The proposed analytical method coupled with multivariate statistical analysis is reliable to analyze a group of metabolites present in the herbal extracts and other natural products. This method can be further utilized to evaluate chemical components obtained from different plants and/or the plants of different geographical locations, thereby classifying the medicinal plant resources and potentially elucidating the mechanism of inherent phytochemical diversity. Article:INTRODUCTION It is estimated that about 65-80% of the world's population is using traditional medicine as the primary form of healthcare (Akerele 1992). Traditional Chinese medicines (TCMs) are gaining more and more attention in many fields because of their low toxicity and good therapeutic performance. The quality and contents of herbs are highly variable depending on geographical origins, climate, cultivation, and the growth stage when harvested (Mahady et al. 2001). The profiling of natural products requires an analytical system capable of generating an information rich data set and needs to identify the compounds of interest, compare different batches of material to be compared and contrasted and isolate the compounds of interest from bulk solution. However, because of the chemical diversity of the metabolome, which for any given multicellular species comprises a mixture of thousands of compounds differing in size, polarity etc., and varying in abundance by several orders of magnitude, the need for multiparallel analytical techniques is obvious and well-accepted (Goodacre et al. 2004;Hall 2006). A number of techniques including nuclear magnetic resonance (NMR), liquid chromatography (LC) or gas chromatography (GC) coupled with mass spectrometry (MS) have been employed for metabolite profiling (Fiehn et al. 2000;Want et al. 2005;Fukusaki et al. 2006;Nordstrom et al...

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“…A combinação de UPLC-MS/MS fornece vantagens significativas com relação à seletividade, detectabilidade e velocidade de análise. Até o momento, a UPLC tem sido aplicada principalmente no campo farmacêutico, [15][16][17] havendo uma carência de dados na literatura sobre a determinação de resíduos de pesticidas em amostras de alimentos. [18][19][20] Alguns exemplos de aplicação da UPLC-MS/MS em análises de resíduos de pesticidas em alimentos foram publicados recentemente para as matrizes citros, 21 chá, 22 frutas e alimentos infantis 23 e vinho.…”

Section: Introductionunclassified

Validação de método multirresíduo para determinação de pesticidas em alimentos empregando QuEChERS E UPLC-MS/MS

Queiroz¹,

Ferracini²,

Rosa³

2012

Quím. Nova

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Recebido em 1/2/11; aceito em 23/5/11; publicado na web em 22/7/11 MULTIRESIDUE METHOD VALIDATION FOR DETERMINATION OF PESTICIDES IN FOOD USING QuEChERS AND UPLC-MS/MS. This paper presents a practical and rapid method which was validated for simultaneous quantification and confirmation of 29 pesticides in fruits and vegetables using ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The samples were extracted following the method known as QuEChERS. Using the developed chromatographic conditions, the pesticides can be separated in less than 9 min. Two multiple reaction monitoring (MRM) assays were used for each pesticide. Four representative matrices (lettuce, tomato, apple and grapes) were selected to investigate the effect in recoveries and precision. Typical recoveries ranged from 70-120%, with relative standard deviation (RSDs) lower than 20%.Keywords: pesticides; QuEChERS; UPLC-MS/MS. INTRODUÇÃONos últimos anos tem havido uma preocupação crescente com relação à presença de resíduos de pesticidas nos alimentos, devido aos possíveis efeitos adversos à saúde dos seres humanos se expostos por longos períodos, especialmente em crianças que consomem maiores porções de frutas e hortaliças em relação à massa corporal quando comparados aos adultos e são mais susceptíveis às substâncias quí-micas tóxicas por estarem nos estágios iniciais de desenvolvimento. 1Visando proteger a saúde dos consumidores agências governamentais, como a Agência Nacional de Vigilância Sanitária (ANVISA) no Brasil, 2 limitam as quantidades de pesticidas em alimentos e estabelecem limites máximos de resíduos (LMRs) para as diversas combinações de pesticidas e commodities.Historicamente, a cromatografia gasosa (GC) tem sido a técnica selecionada para a análise multirresíduo de pesticidas em produtos de origem vegetal.3,4 Entretanto, muitos pesticidas modernos são polares ou iônicos, os quais apresentam menor persistência e toxicidade ao meio ambiente, e não podem ser analisados diretamente por GC. A cromatografia líquida de alta eficiência acoplada à espectrometria de massas em série (LC-MS/MS) é a melhor escolha para substâncias que apresentam volatilidade baixa e/ou instabilidade térmica. A cromatografia líquida é muito efetiva na separação dos analitos, enquanto que a espectrometria de massas em série permite a sua identificação e/ou confirmação em concentrações da ordem de μg kg -1 ou menores. 5-7Embora as técnicas cromatográficas acopladas à espectrometria de massas sejam muito sensíveis e seletivas, deve ser realizada uma etapa de preparo da amostra. Atualmente, um dos métodos de preparo de amostra para análise de resíduos mais citados na literatura 8 é o descrito por Anastassiades e colaboradores, 9 conhecido como QuEChERS (Quick, Easy, Cheap, Effective, Robust and Safe). Vários laboratórios no mundo têm implementado o método QuEChERS devido às vantagens que oferece em relação aos convencionais, conforme o próprio nome diz. 5, 8-10A etapa de separação cromatográfica pode ser demorada quando é analisado um núme...

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Ultra‐performance liquid chromatography/time‐of‐flight mass spectrometry based metabolomics of raw and steamed Panax notoginseng

Cited by 166 publications

References 20 publications

Ultra‐performance LC/TOF MS analysis of medicinal Panax herbs for metabolomic research

Ultra‐performance LC/TOF MS analysis of medicinal Panax herbs for metabolomic research

Application of ultra-performance LC-TOF MS metabolite profiling techniques to the analysis of medicinal Panax herbs

Validação de método multirresíduo para determinação de pesticidas em alimentos empregando QuEChERS E UPLC-MS/MS

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