School of Chemistry, University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
Anal Bioanal Chem. 2010 Jul;397(6):2439-49. doi: 10.1007/s00216-010-3771-z. Epub 2010 May 16.
In this study, we investigated the feasibility of using a novel volatile organic compound (VOC)-based metabolic profiling approach with a newly devised chemometrics methodology which combined rapid multivariate analysis on total ion currents with in-depth peak deconvolution on selected regions to characterise the spoilage progress of pork. We also tested if such approach possessed enough discriminatory information to differentiate natural spoiled pork from pork contaminated with Salmonella typhimurium, a food poisoning pathogen commonly recovered from pork products. Spoilage was monitored in this study over a 72-h period at 0-, 24-, 48- and 72-h time points after the artificial contamination with the salmonellae. At each time point, the VOCs from six individual pork chops were collected for spoiled vs. contaminated meat. Analysis of the VOCs was performed by gas chromatography/mass spectrometry (GC/MS). The data generated by GC/MS analysis were initially subjected to multivariate analysis using principal component analysis (PCA) and multi-block PCA. The loading plots were then used to identify regions in the chromatograms which appeared important to the separation shown in the PCA/multi-block PCA scores plot. Peak deconvolution was then performed only on those regions using a modified hierarchical multivariate curve resolution procedure for curve resolution to generate a concentration profiles matrix C and the corresponding pure spectra matrix S. Following this, the pure mass spectra (S) of the peaks in those region were exported to NIST 02 mass library for chemical identification. A clear separation between the two types of samples was observed from the PCA models, and after deconvolution and univariate analysis using N-way ANOVA, a total of 16 significant metabolites were identified which showed difference between natural spoiled pork and those contaminated with S. typhimurium.
在这项研究中,我们调查了使用新型挥发性有机化合物(VOC)代谢谱分析方法的可行性,该方法结合了快速多变量分析总离子流和对选定区域的深入峰分解,以表征猪肉变质过程。我们还测试了这种方法是否具有足够的鉴别信息来区分自然变质猪肉和受沙门氏菌污染的猪肉,沙门氏菌是一种常见于猪肉产品中的食源性致病菌。在本研究中,在人工污染沙门氏菌后 0、24、48 和 72 小时的 72 小时内监测变质情况。在每个时间点,从六个单独的猪排收集挥发性有机化合物,用于变质和污染的肉。通过气相色谱/质谱(GC/MS)分析 VOCs。GC/MS 分析生成的数据最初使用主成分分析(PCA)和多块 PCA 进行多变量分析。然后使用加载图确定色谱图中对 PCA/multi-block PCA 得分图中显示的分离重要的区域。然后仅对这些区域使用修改后的层次多变量曲线分辨程序进行峰分解,以生成浓度谱矩阵 C 和相应的纯光谱矩阵 S。完成后,将这些区域中峰的纯质谱(S)导出到 NIST 02 质谱库进行化学鉴定。从 PCA 模型中观察到两种类型的样品之间存在明显的分离,并且在使用 N -way ANOVA 进行峰分解和单变量分析之后,总共鉴定出 16 种有明显差异的代谢物,它们显示了自然变质猪肉和受 S. typhimurium 污染的猪肉之间的差异。