Main strategies, analytical trends and challenges in LC-MS and ambient mass spectrometry–based metabolomics

Aszyk, Justyna; Byliński, Hubert; Namieśnik, Jacek; Kot‐Wasik, Agata

doi:10.1016/j.trac.2018.09.010

Cited by 49 publications

(46 citation statements)

References 91 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Accurate identification and quantification of analytes greatly depends on the extraction step [7][8][9][10][11]. Sample preparation, also known as sample pretreatment or clean-up, is a mandatory step to ensure adequate sensitivity, selectivity, and reproducibility of the analytical process in metabolomics analyses.…”

Section: Introductionmentioning

confidence: 99%

Metabolomics Technologies for the Identification and Quantification of Dietary Phenolic Compound Metabolites: An Overview

et al. 2021

View full text Add to dashboard Cite

In the search for natural products with properties that may protect against or slow down chronic and degenerative diseases (e.g., cancer, and cardiovascular and neurodegenerative conditions), phenolic compounds (PC) with benefits for human health have been identified. The biological effects of PC in vivo depend on their bioavailability, intestinal absorption, metabolism, and interaction with target tissues. The identification of phenolic compounds metabolites (PCM), in biological samples, after food ingestion rich in PC is a first step to understand the overall effect on human health. However, their wide range of physicochemical properties, levels of abundance, and lack of reference standards, renders its identification and quantification a challenging task for existing analytical platforms. The most frequent approaches to metabolomics analysis combine mass spectrometry and NMR, parallel technologies that provide an overview of the metabolome and high-power compound elucidation. In this scenario, the aim of this review is to summarize the pre-analytical separation processes for plasma and urine samples and the technologies applied in quantitative and qualitative analysis of PCM. Additionally, a comparison of targeted and non-targeted approaches is presented, not available in previous reviews, which may be useful for future metabolomics studies of PCM.

show abstract

Section: Introductionmentioning

confidence: 99%

Metabolomics Technologies for the Identification and Quantification of Dietary Phenolic Compound Metabolites: An Overview

et al. 2021

View full text Add to dashboard Cite

show abstract

“…In some cases, the same source can be operated as both an ESI and an APCI source. In addition to these two ion sources, there is a number of other options to ionize the metabolites, but these are the two sources mainly used for LC-MS coupling to capture the metabolome, as they are generally the most efficient and compatible with the solvents of the LC [ 5 , 32 , 33 ]. Metabolomics measurements are performed in both positive and negative ionization modes.…”

Section: Introductionmentioning

confidence: 99%

Food Phenotyping: Recording and Processing of Non-Targeted Liquid Chromatography Mass Spectrometry Data for Verifying Food Authenticity

Creydt

Fischer

2020

Molecules

View full text Add to dashboard Cite

Experiments based on metabolomics represent powerful approaches to the experimental verification of the integrity of food. In particular, high-resolution non-targeted analyses, which are carried out by means of liquid chromatography-mass spectrometry systems (LC-MS), offer a variety of options. However, an enormous amount of data is recorded, which must be processed in a correspondingly complex manner. The evaluation of LC-MS based non-targeted data is not entirely trivial and a wide variety of strategies have been developed that can be used in this regard. In this paper, an overview of the mandatory steps regarding data acquisition is given first, followed by a presentation of the required preprocessing steps for data evaluation. Then some multivariate analysis methods are discussed, which have proven to be particularly suitable in this context in recent years. The publication closes with information on the identification of marker compounds.

show abstract

“…Recently, metabolomic technology has become an important and valuable tool in the life sciences. It has been extended to a variety of research areas such as biomarker discovery, disease diagnosis, and quality evaluation of TCHs (Mao et al, 2017;Aszyk et al, 2018). Fortunately, metabolomic methods greatly contribute to discoveries of difference markers that represent the change in the biological environment caused by the special disturbances.…”

Section: Introductionmentioning

confidence: 99%

A Metabolomics Coupled With Chemometrics Strategy to Filter Combinatorial Discriminatory Quality Markers of Crude and Salt-Fired Eucommiae Cortex

Guo

Yang

et al. 2020

Front. Pharmacol.

View full text Add to dashboard Cite

Eucommiae Cortex is commonly used for treating various diseases in a form of the crude and salt-fired products. Generally, it is empirical to distinguish the difference between two types of Eucommiae Cortex. The metabolomics coupled with chemometrics strategy was proposed to filter the combinatorial discriminatory quality markers for precise distinction and further quality control of the crude and salt-fired Eucommiae Cortex. The metabolomics data of multiple batches of Eucommiae Cortex samples was obtained by ultra-high performance liquid chromatography coupled with mass spectrometry (UHPLC-MS). Orthogonal partial least-squares discriminant analysis was utilized to filter candidate markers for characterizing the obvious difference of the crude and salt-fired Eucommiae Cortex. The accuracy of combinatorial markers was validated by random forest and partial least squares regression. Finally, eleven combinatorial discriminatory quality markers from 67 identified compounds were rapidly screened, identified, and determined for distinguishing the difference between crude and salt-fired Eucommiae Cortex. It was demonstrated that UHPLC-MS based metabolomics with chemometrics was a powerful strategy to screen the combinatorial discriminatory quality markers for distinguishing the crude and salt-fired Eucommiae Cortex and to provide the reference for precise quality control of Eucommiae Cortex.

show abstract

Main strategies, analytical trends and challenges in LC-MS and ambient mass spectrometry–based metabolomics

Cited by 49 publications

References 91 publications

Metabolomics Technologies for the Identification and Quantification of Dietary Phenolic Compound Metabolites: An Overview

Metabolomics Technologies for the Identification and Quantification of Dietary Phenolic Compound Metabolites: An Overview

Food Phenotyping: Recording and Processing of Non-Targeted Liquid Chromatography Mass Spectrometry Data for Verifying Food Authenticity

A Metabolomics Coupled With Chemometrics Strategy to Filter Combinatorial Discriminatory Quality Markers of Crude and Salt-Fired Eucommiae Cortex

Contact Info

Product

Resources

About