Highly-parallel Metabolomics Approaches Using LC-MS for Pharmaceutical and Environmental Analysis

Overview

Journal Trends Analyt Chem

Specialty Chemistry

Date 2009 Sep 17

PMID 19756204

Citations 5

Authors

Sunil Bajad

Vladimir Shulaev

Affiliations

Soon will be listed here.

Abstract

The 'omics' approaches - genomics, proteomics and metabolomics - are based on high-throughput, high-information-content analysis. Using these approaches, as opposed to targeting one or a few analytes, a holistic understanding of the composition of a sample can be obtained. These approaches have revolutionized sample-analysis and data-processing protocols. In metabolomic studies, hundreds of small molecules are simultaneously analyzed using analytical platforms (e.g., gas chromatography-mass spectrometry (GC-MS) or liquid chromatography coupled to tandem mass spectrometry (LC-MS(2))). This philosophy of holistic analysis and the application of high-throughput, high-information-content analysis offer several advantages. In this article, we compare the conventional analytical approach of one or a few analytes per sample to the LC-MS(2)-based metabolomics-type approach in the context of pharmaceutical and environmental analysis.

Citing Articles

From Complexity to Clarity: Expanding Metabolome Coverage With Innovative Analytical Strategies.

Aarika K, Rajyalakshmi R, Nalla L, Gajula S J Sep Sci. 2025; 48(2):e70099.

PMID: 39968702 PMC: 11836935. DOI: 10.1002/jssc.70099.

A plant-mediated synthesis of nanostructured hydroxyapatite for biomedical applications: a review.

Alorku K, Manoj M, Yuan A RSC Adv. 2022; 10(67):40923-40939.

PMID: 35519223 PMC: 9057773. DOI: 10.1039/d0ra08529d.

Proteomics and Metabolomics: Two Emerging Areas for Legume Improvement.

Ramalingam A, Kudapa H, Pazhamala L, Weckwerth W, Varshney R Front Plant Sci. 2016; 6:1116.

PMID: 26734026 PMC: 4689856. DOI: 10.3389/fpls.2015.01116.

Spectral deconvolution for gas chromatography mass spectrometry-based metabolomics: current status and future perspectives.

Du X, Zeisel S Comput Struct Biotechnol J. 2014; 4:e201301013.

PMID: 24688694 PMC: 3962095. DOI: 10.5936/csbj.201301013.

A mass spectrometric study for comparative analysis and evaluation of metabolite recovery from plasma by various solvent systems.

Dutta A, Shetty P, Bhat S, Ramachandra Y, Hegde S J Biomol Tech. 2012; 23(4):128-35.

PMID: 23204928 PMC: 3437798. DOI: 10.7171/jbt.12-2304-001.

References

Lenz E, Bright J, Knight R, Westwood F, Davies D, Major H . Metabonomics with 1H-NMR spectroscopy and liquid chromatography-mass spectrometry applied to the investigation of metabolic changes caused by gentamicin-induced nephrotoxicity in the rat. Biomarkers. 2005; 10(2-3):173-87. DOI: 10.1080/13547500500094034. View

Smith C, Want E, OMaille G, Abagyan R, Siuzdak G . XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal Chem. 2006; 78(3):779-87. DOI: 10.1021/ac051437y. View

Bajad S, Lu W, Kimball E, Yuan J, Peterson C, Rabinowitz J . Separation and quantitation of water soluble cellular metabolites by hydrophilic interaction chromatography-tandem mass spectrometry. J Chromatogr A. 2006; 1125(1):76-88. DOI: 10.1016/j.chroma.2006.05.019. View

Marquet P . Is LC-MS suitable for a comprehensive screening of drugs and poisons in clinical toxicology?. Ther Drug Monit. 2002; 24(1):125-33. DOI: 10.1097/00007691-200202000-00020. View

Lopez-Roldan P, Lopez de Alda M, Barcelo D . Simultaneous determination of selected endocrine disrupters (pesticides, phenols and phthalates) in water by in-field solid-phase extraction (SPE) using the prototype PROFEXS followed by on-line SPE (PROSPEKT) and analysis by liquid.... Anal Bioanal Chem. 2003; 378(3):599-609. DOI: 10.1007/s00216-003-2187-4. View

Estrela R, Salvadori M, Suarez-Kurtz G . A rapid and sensitive method for simultaneous determination of lamivudine and zidovudine in human serum by on-line solid-phase extraction coupled to liquid chromatography/tandem mass spectrometry detection. Rapid Commun Mass Spectrom. 2004; 18(10):1147-55. DOI: 10.1002/rcm.1446. View

Kirchherr H, Kuhn-Velten W . Quantitative determination of forty-eight antidepressants and antipsychotics in human serum by HPLC tandem mass spectrometry: a multi-level, single-sample approach. J Chromatogr B Analyt Technol Biomed Life Sci. 2006; 843(1):100-13. DOI: 10.1016/j.jchromb.2006.05.031. View

Dettmer K, Aronov P, Hammock B . Mass spectrometry-based metabolomics. Mass Spectrom Rev. 2006; 26(1):51-78. PMC: 1904337. DOI: 10.1002/mas.20108. View

Bijlsma S, Bobeldijk I, Verheij E, Ramaker R, Kochhar S, Macdonald I . Large-scale human metabolomics studies: a strategy for data (pre-) processing and validation. Anal Chem. 2006; 78(2):567-74. DOI: 10.1021/ac051495j. View

10.

Arita M . Additional paper: computational resources for metabolomics. Brief Funct Genomic Proteomic. 2004; 3(1):84-93. DOI: 10.1093/bfgp/3.1.84. View

11.

Lutz U, Lutz R, Lutz W . Metabolic profiling of glucuronides in human urine by LC-MS/MS and partial least-squares discriminant analysis for classification and prediction of gender. Anal Chem. 2006; 78(13):4564-71. DOI: 10.1021/ac0522299. View

12.

Aranibar N, Ott K, Roongta V, Mueller L . Metabolomic analysis using optimized NMR and statistical methods. Anal Biochem. 2006; 355(1):62-70. DOI: 10.1016/j.ab.2006.04.014. View

13.

Pham-Tuan H, Kaskavelis L, Daykin C, Janssen H . Method development in high-performance liquid chromatography for high-throughput profiling and metabonomic studies of biofluid samples. J Chromatogr B Analyt Technol Biomed Life Sci. 2003; 789(2):283-301. DOI: 10.1016/s1570-0232(03)00077-1. View

14.

Villas-Boas S, Mas S, Akesson M, Smedsgaard J, Nielsen J . Mass spectrometry in metabolome analysis. Mass Spectrom Rev. 2004; 24(5):613-46. DOI: 10.1002/mas.20032. View

15.

Boernsen K, Gatzek S, Imbert G . Controlled protein precipitation in combination with chip-based nanospray infusion mass spectrometry. An approach for metabolomics profiling of plasma. Anal Chem. 2005; 77(22):7255-64. DOI: 10.1021/ac0508604. View

16.

Spasic I, Dunn W, Velarde G, Tseng A, Jenkins H, Hardy N . MeMo: a hybrid SQL/XML approach to metabolomic data management for functional genomics. BMC Bioinformatics. 2006; 7:281. PMC: 1522028. DOI: 10.1186/1471-2105-7-281. View

17.

Castrillo J, Hayes A, Mohammed S, Gaskell S, Oliver S . An optimized protocol for metabolome analysis in yeast using direct infusion electrospray mass spectrometry. Phytochemistry. 2003; 62(6):929-37. DOI: 10.1016/s0031-9422(02)00713-6. View

18.

Dunn W, Bailey N, Johnson H . Measuring the metabolome: current analytical technologies. Analyst. 2005; 130(5):606-25. DOI: 10.1039/b418288j. View

19.

Fiehn O, Kopka J, Dormann P, Altmann T, Trethewey R, Willmitzer L . Metabolite profiling for plant functional genomics. Nat Biotechnol. 2000; 18(11):1157-61. DOI: 10.1038/81137. View

20.

Suzuki T, Nakagawa Y, Takano I, Yaguchi K, Yasuda K . Environmental fate of bisphenol A and its biological metabolites in river water and their xeno-estrogenic activity. Environ Sci Technol. 2004; 38(8):2389-96. DOI: 10.1021/es030576z. View