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Liquid Chromatography-Mass Spectrometry for Clinical Metabolomics: An Overview

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Separation Techniques Applied to Omics Sciences

Part of the book series: Advances in Experimental Medicine and Biology ((PMISB,volume 1336))

Abstract

Metabolomics is a discipline that offers a comprehensive analysis of metabolites in biological samples. In the last decades, the notable evolution in liquid chromatography and mass spectrometry technologies has driven an exponential progress in LC-MS-based metabolomics. Targeted and untargeted metabolomics strategies are important tools in health and medical science, especially in the study of disease-related biomarkers, drug discovery and development, toxicology, diet, physical exercise, and precision medicine. Clinical and biological problems can now be understood in terms of metabolic phenoty**. This overview highlights the current approaches to LC-MS-based metabolomics analysis and its applications in the clinical research.

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Abbreviations

ACN:

Acetonitrile

CE:

Capillary electrophoresis

DDA:

Data-dependent acquisition

DIA:

Data-independent acquisition

DIPEA:

Diisopropylethylamine

DoE:

Design of experiments

EIC:

Extracted ion chromatogram

ESI:

Electrospray

FA:

Formic acid

FT-ICR:

Fourier-transform ion cyclotron resonance

GC:

Gas chromatography

HCD:

Higher-energy collisional dissociation

HDMSE:

Ion mobility assisted-DIS

HFIP:

1,1,1,3,3,3-hexafluoro-2-propanol

HILIC:

Hydrophilic interaction liquid chromatography

HPLC:

High-performance liquid chromatography

HRMS:

High-resolution mass spectrometry

IC:

Ionic chromatography

ICP-MS:

Inductively coupled plasma-mass spectrometry

IPC:

Ion pair chromatography

LC:

Liquid chromatography

LIT:

Linear ion trap

LLE:

Liquid-liquid extraction

LPME:

Liquid-phase microextraction

LTQ-Orbitrap:

Linear trap quadrupole-Orbitrap

m/z :

Mass-to-charge ratio

MFA:

Metabolic flux analysis

MIPs:

Molecularly imprinted polymers

MP:

Mobile phase

MS:

Mass spectrometry

MS/MS:

Tandem mass spectrometry

MS3:

Multistage fragmentation

MSE:

Elevated energy MS

MTBE:

Methyl tert-butyl ether

NCEs:

New chemical entities

NMR:

Nuclear resonance magnetic

NP:

Normal phase

OFAT:

One-factor-at-a-time

OT:

Orbitrap

PCA:

Principal component analysis

PRM:

Parallel reaction monitoring

QqQ:

Triple quadrupole

QqTOF:

Hybrid quadrupole time of flight

QTRAP:

Quadrupole-ion trap

re-TOF:

Ion reflector

RPLC:

Reverse phase liquid chromatography

SALLE:

Salting-out assisted liquid-liquid extraction

SBSE:

Stir-bar sorptive extraction

SLE:

Supported liquid extraction

SP:

Stationary phase

SPE:

Solid-phase extraction

SPME:

Solid-phase microextraction

SRM:

Selected reaction monitoring

SWATH-MS:

Sequential Windowed Acquisition of All Theoretical Fragment Ion Mass Spectra

TBA:

Tributylamine

TMA:

Trimethylamine

TMAO:

Trimethylamine N-oxide

TOF:

Time of flight

UHPLC:

Ultra-high-performance liquid chromatography

UPLC:

Ultra-performance liquid chromatography

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Authors and Affiliations

  1. Núcleo de Pesquisa em Cromatografia (Separare), Department of Chemistry, Federal University of São Carlos, São Carlos, SP, Brazil

    Izadora L. Furlani & Regina V. Oliveira

  2. Department of Analytical Chemistry, Institute of Chemistry, Federal University of Bahia, Salvador, BA, Brazil

    Estéfane da Cruz Nunes & Gisele A. B. Canuto

  3. Department of Chemistry, Federal University of Minas Gerais, Belo Horizonte, MG, Brazil

    Adriana N. Macedo

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  1. Izadora L. Furlani
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  2. Estéfane da Cruz Nunes
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  3. Gisele A. B. Canuto
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  5. Regina V. Oliveira
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  1. Analytical Chemistry Department, University of Campinas, Institute of Chemistry, Campinas, São Paulo, Brazil

    Ana Valéria Colnaghi Simionato

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Furlani, I.L., da Cruz Nunes, E., Canuto, G.A.B., Macedo, A.N., Oliveira, R.V. (2021). Liquid Chromatography-Mass Spectrometry for Clinical Metabolomics: An Overview. In: Colnaghi Simionato, A.V. (eds) Separation Techniques Applied to Omics Sciences. Advances in Experimental Medicine and Biology(), vol 1336. Springer, Cham. https://doi.org/10.1007/978-3-030-77252-9_10

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