Use of relative 12C/ 14C isotope ratios to estimate metabolite concentrations in the absence of authentic standards

Bioanalysis

Volumn 4, Issue 2, 2012, Pages 143-156

  Cuyckens, Filip ^a   Pauwels, Nadine ^a   Koppen, Valerie ^a   Leclercq, Laurent ^a  

^a JANSSEN RESEARCH AND DEVELOPMENT   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CARBON 14; FELBAMATE; RISPERIDONE; USISTAPIDE;

ACCURACY; ARTICLE; BLOOD SAMPLING; CONCENTRATION (PARAMETERS); CONTROLLED STUDY; ELECTROSPRAY MASS SPECTROMETRY; HUMAN; IN VITRO STUDY; ISOTOPE ANALYSIS; ISOTOPE LABELING; LIMIT OF QUANTITATION; LIQUID CHROMATOGRAPHY; METABOLITE; QUADRUPOLE MASS SPECTROMETRY; RADIOACTIVITY; RADIOCHEMISTRY; STANDARDIZATION; STRUCTURE ANALYSIS; VALIDATION PROCESS; BLOOD; BLOOD ANALYSIS; METABOLOMICS; METHODOLOGY; STANDARD;

BLOOD CHEMICAL ANALYSIS; CARBON; CARBON RADIOISOTOPES; CHROMATOGRAPHY, LIQUID; HUMANS; METABOLOMICS; REFERENCE STANDARDS; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION;

EID: 84856055756     PISSN: 17576180     EISSN: 17576199     Source Type: Journal    
DOI: 10.4155/bio.11.302     Document Type: Article

References (24)

1. Leclercq L, Cuyckens F, Mannens GSJ, de Vries R, Timmerman P, Evans DC. Which human metabolites have we MIST? Retrospective ana lysis, practical aspects, and perspectives for metabolite identifcation and quantifcation in pharmaceutical development. Chem. Res. Toxicol. 22, 280-293 (2009).
2. Nedderman ANR, Wright P. Looking back through the MIST: a perspective of evolving strategies and key focus areas for metabolite safety ana lysis. Bioana lysis 2(7), 1235-1248 (2010).
3. Ramanathan R, Josephs JL, Jemal M, Arnold M, Humphreys WG. Novel MS solutions inspired by MIST. Bioana lysis 2(7), 1291-1313 (2010).
4. Nedderman ANR, Dear G J, North S, Obach RS, Higton D. From defnition to implementation: a cross-industry perspective of past, current and future MIST strategies. Xenobiotica 41, 605-622 (2011).
5. Gao H, Obach RS. Addressing MIST (metabolites in safety testing): bioanalytical approaches to address metabolite exposures in humans and animals. Curr. Drug Metab. 12, 578-586 (2011).
6. Yang Y, Grubb MF, Luk CE, Humphreys WG, Josephs JL. Quantitative estimation of circulating metabolites without synthetic standards by ultra-high-performance liquid chromatography/high resolution accurate mass spectrometry in combination with UV correction. Rapid Commun. Mass Spectrom. 25(21), 3245-3251 (2011).
7. Ma S, Chowdhury SK, Alton KB. Application of Mass Spectrometry for Metabolite Identifcation. Curr. Drug Metab. 7, 503-523 (2006).
8. Mortishire-Smith RJ, O'Connor D, Castro-Perez JM, Kirby. Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-fight mass spectrometry and automated data ana lysis. J. Rapid Commun. Mass Spectrom. 19(18), 2659-2670 (2005). (Pubitemid 41338609)
9. ® mass spectrometer and multiple data processing techniques: application to indinavir metabolite detection. J. Mass Spectrom. 43(2), 251-261 (2008). (Pubitemid 351303446)
10. Tiller PR, Yu S, Castro-Perez J, Fillgrove KL, Baillie TA. High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-fight system as a 'frst-line' approach for metabolite identifcation studies. Rapid Commun. Mass Spectrom. 22(7), 1053-1061 (2008). (Pubitemid 351468262)
11. Cuyckens F, Hurkmans R, Castro-Perez J, Leclercq L, Mortishire-Smith R J. Extracting metabolite ions out of a matrix background by combined mass defect, neutral loss and isotope fltration. Rapid Commun. Mass Spectrom. 23(2), 327-332 (2008).
12. Yu CP, Chen CL, Gorycki FL, Neiss TG. A rapid method for quantitatively estimating metabolites in human plasma in the absence of synthetic standards using a combination of liquid chromatography-mass spectrometry and radiometric detection. Rapid Commun. Mass Spectrom. 21(4), 497-502 (2007). (Pubitemid 46294297)
13. Cuyckens F, Koppen V, Kembuegler R, Leclercq L. Improved liquid chromatography-online radioactivity detection for metabolite profling. J. Chromatogr. A 1209, 128-135 (2008).
14. Jurva U, Wikstrom HV, We idol f L, Bruins AP. Comparison between electrochemistry/mass spectrometry and cytochrome P450 catalyzed oxidation reactions. Rapid Commun. Mass Spectrom. 17(8), 800-810 (2003). (Pubitemid 36433164)
15. Parmentier HP, Bruins AP, Bischoff R. Electrochemistry-mass spectrometry in drug metabolism and protein research. Med. Chem. 8, 46-56 (2008). (Pubitemid 351320929)
16. Lohmann W, Baumann A, Karst U. Electrochemistry and LC-MS for metabolite generation and identifcation: tools, technologies and trends. LCGC Europe 23, 8-16 (2010).
17. Mansuy D. A brief history of the contribution of metalloporphyrin models to cytochrome P450 chemistry and oxidation catalysis. CR Chimie 10, 392-413 (2007).
18. Hovorka SW, Schoneich C. Oxidative degradation of pharmaceuticals: theory, mechanisms and inhibition. J. Pharm. Sci. 90(3), 253-268 (2001).
19. Gammelgaard B, Hansen HR, Sturup S, Moller C. The use of inductively coupled plasma mass spectrometry as a detector in drug metabolism studies. Expert Opin. Drug Metab. Toxicol. 4, 1187-1207 (2008).
20. Cuyckens F, Balcaen LIL, Wolf K et al. Use of the bromine isotope ratio in HPLC-ICP-MS and HPLC-ESI-MS ana lysis of a new drug in development. Anal. Bioanal. Chem. 390(7), 1717-1729 (2008).
21. Yi P, Luffer-Atlas D. A radiocalibration method with pseudo internal standard to estimate circulating metabolite concentrations. Bioana lysis 2(7), 1195-1210 (2010).
22. ® mass spectrometer and implications for elemental composition determination. J. Am. Soc. Mass Spectrom. 20(11), 2058-2069 (2009).
23. Zhu P, Tong W, Alton K, Chowdhury S. An accurate-mass-based spectral-averaging isotope-pattern-fltering algorithm for extraction of drug metabolites possessing a distinct isotope pattern from LC-MS data. Anal. Chem. 81(14), 5910-5917 (2009).
24. Wang Y, Gu M. The concept of spectral accuracy for MS. Anal. Chem. 82(17), 7055-7062 (2010).