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Metabolites 2012, 2(3), 479-495; doi:10.3390/metabo2030479
Article

1H Nuclear Magnetic Resonance (NMR) Metabolomic Study of Chronic Organophosphate Exposure in Rats

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Received: 18 April 2012; in revised form: 26 June 2012 / Accepted: 5 July 2012 / Published: 24 July 2012
(This article belongs to the Special Issue Feature Papers)
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Abstract: 1H NMR spectroscopy and chemometric analysis were used to characterize rat urine obtained after chronic exposure to either tributyl phosphate (TBP) or triphenyl phosphate (TPP). In this study, the daily dose exposure was 1.5 mg/kg body weight for TBP, or 2.0 mg/kg body weight for TPP, administered over a 15-week period. Orthogonal signal correction (OSC) -filtered partial least square discriminant analysis (OSC-PLSDA) was used to predict and classify exposure to these organophosphates. During the development of the model, the classification error was evaluated as a function of the number of latent variables. NMR spectral regions and corresponding metabolites important for determination of exposure type were identified using variable importance in projection (VIP) coefficients obtained from the OSC-PLSDA analysis. As expected, the model for classification of chronic (1.5–2.0 mg/kg body weight daily) TBP or TPP exposure was not as strong as the previously reported model developed for identifying acute (15–20 mg/kg body weight) exposure. The set of majorly impacted metabolites identified for chronic TBP or TPP exposure was slightly different than those metabolites previously identified for acute exposure. These metabolites were then mapped to different metabolite pathways and ranked, allowing the metabolic response to chronic organophosphate exposure to be addressed.
Keywords: NMR; metabolomics; tributyl phosphate, triphenyl phosphate, chemometrics NMR; metabolomics; tributyl phosphate, triphenyl phosphate, chemometrics
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Alam, T.M.; Neerathilingam, M.; Alam, M.K.; Volk, D.E.; Ansari, G.A.S.; Sarkar, S.; Luxon, B.A. 1H Nuclear Magnetic Resonance (NMR) Metabolomic Study of Chronic Organophosphate Exposure in Rats. Metabolites 2012, 2, 479-495.

AMA Style

Alam TM, Neerathilingam M, Alam MK, Volk DE, Ansari GAS, Sarkar S, Luxon BA. 1H Nuclear Magnetic Resonance (NMR) Metabolomic Study of Chronic Organophosphate Exposure in Rats. Metabolites. 2012; 2(3):479-495.

Chicago/Turabian Style

Alam, Todd M.; Neerathilingam, Muniasamy; Alam, M. Kathleen; Volk, David E.; Ansari, G. A. Shakeel; Sarkar, Swapna; Luxon, Bruce A. 2012. "1H Nuclear Magnetic Resonance (NMR) Metabolomic Study of Chronic Organophosphate Exposure in Rats." Metabolites 2, no. 3: 479-495.



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