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首页> 外文会议>Proceedings of the Twenty-eighth Arctic and Marine Oilspill Program(AMOP) Technical Seminar vol.1 >Evaluation of Oil Biodegradation Using Time warping and PCA
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Evaluation of Oil Biodegradation Using Time warping and PCA

机译：使用时间扭曲和PCA评估石油生物降解

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A recently developed multivariate statistical methodology was used to evaluate effects, of biodegradation on the composition of stranded oil after the Baltic Carrier oil spill, 29. March 2001. Compound-specific data were obtained by Gas chromatography - mass spectrometry in selected ion monitoring mode (GC-MS/SIM) and preprocessed by calculating the first derivative, retention time alignment and normalization. Oil biodegradation was assessed by applying weighted least squares principal component analysis (WLS-PCA) to the preprocessed chromatograms of methylphenanthrenes (m/z 192) and methyldibenzothiophenes (m/z 198).rnOne principal component explained 46.9% of the variation in the complete data set (33 oil samples x 370 chromatographic intensities). The PAC isomer composition was unchanged in oil samples collected 0 - 2(1/2) month after the oil spill. Conversely, the isomer patterns had changed systematically in samples collected 6(1/2) - 16(1/2) months after the spill with samples collected after 8(1/2) month being most heavily affected. The PAC degradation patterns were evaluated by comparing the WLS-PCA loadings with the mean chromatogram of unweathered oil. For both methylphenanthrenes and methyldibenzothiophenes the β-methyl substituted isomers (4- and 1-methyl substituted) were less susceptible to microbial degradation compared to the α-methyl substituted isomers (3- and 2-methyl substituted).rnThis study demonstrates the ability of time warping in combination with multivariate statistical methods (e.g. PCA) to assess relationships between spill samples and to indicate the direction of major changes in the chemical composition caused by biodegradation processes.
机译：2001年3月29日波罗的海航母溢油后，最近开发的多元统计方法用于评估生物降解对滞留油成分的影响。化合物特异性数据通过气相色谱-质谱法在选定的离子监测模式下获得（ GC-MS / SIM），并通过计算一阶导数，保留时间对齐和归一化进行预处理。通过对甲基菲（m / z 192）和甲基二苯并噻吩（m / z 198）的预处理色谱图进行加权最小二乘主成分分析（WLS-PCA）评估油脂的生物降解。rn一个主成分解释了总变化的46.9％。数据集（33个油样x 370色谱强度）。漏油后0-2（1/2）个月收集的油样中PAC异构体的组成没有变化。相反，泄漏后6（1/2）-16（1/2）个月收集的样品中的异构体模式发生了系统性变化，其中8（1/2）个月后收集的样品受影响最大。通过比较WLS-PCA负载量和未风化油的平均色谱图来评估PAC降解模式。对于甲基菲和甲基二苯并噻吩，与α-甲基取代的异构体（3-和2-甲基取代的）相比，β-甲基取代的异构体（4-和1-甲基取代的）对微生物的降解更不敏感。时间扭曲与多变量统计方法（例如PCA）相结合，以评估泄漏样品之间的关系，并指示由生物降解过程引起的化学成分发生重大变化的方向。

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