Raman Spectroscopy-Based Metabolomics for Differentiating Exposures to Triazole Fungicides Using Rat Urine

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• 作者：Daniel P. Cherney ; Drew R. Ekman ; David J. Dix ; Timothy W. Collette
• 刊名：Analytical Chemistry
• 出版年：2007
• 出版时间：October 1, 2007
• 年：2007
• 卷：79
• 期：19
• 页码：7324 - 7332
• 全文大小：223K
• 年卷期：v.79,no.19(October 1, 2007)
• ISSN：1520-6882

文摘

Normal Raman spectroscopy was evaluated as a metabolomic tool for assessing the impacts of exposure toenvironmental contaminants, using rat urine collectedduring the course of a toxicological study. Specifically, oneof three triazole fungicides, myclobutanil, propiconazole,or triadimefon, was administered daily via oral gavage tomale Sprague-Dawley rats at doses of 300, 300, or 175mg/kg, respectively. Urine was collected from all threetreatment groups and also from vehicle control rats onday six, following five consecutive days of exposure.Spectra were acquired with a CCD-based dispersiveRaman spectrometer, using 785-nm diode laser excitation. To optimize the signal-to-noise ratio, urine sampleswere filtered through a stirred ultrafiltration cell with a500 nominal molecular weight limit filter to remove large,unwanted urine components that can degrade the spectrum via fluorescence. However, a subsequent investigation suggested that suitable spectra can be obtained in ahigh-throughput fashion, with little or no Raman-specificsample preparation. For the sake of comparison, a parallel¹H NMR-based metabolomic analysis was also conductedon the unfiltered samples. Results from multivariate dataanalysis demonstrated that the Raman method comparesfavorably with NMR in regard to the ability to differentiateresponses from these three contaminants.