Application of PARAFAC Technique to Compare Fluorescence Property of Different Dissolved Organic Matters

Do-jung Lim, Mi-Jin Choi, Jongkwan Park
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Abstract

Objectives : It provides a detailed procedure for analyzing dissolved organic matter (DOM) by the PARAFAC technique and aims to identify compare different fluorescent components of DOM with various water sources.Methods : PARAFAC modeling was performed based on the PARAFAC tutorial by Stedmon et al. [11] using a total of 160 samples originated from wetlands, river, wastewater treatment plant influent and effluent. The procedure includes data preprocessing, initial model creation, outlier analysis, split-half analysis, core consistency, and sum of squared error analysis (SSE). After finishing the model validation step, the samples were analyzed through the verified PARAFAC model.Results and Discussion : An initial model with 2 to 4 components was created, and as a result of outlier analysis, the four WWTP Influent samples were removed as outliers. As a result of SSE analysis, the model with two components has a relatively higher SSE value than the model with three or four components. In the case of core consistency, the model with 2, 3, and 4 components scored 99.6%, 94.9%, and 65.7%, respectively. As a result of the split-half analysis, the spectra of the model having the three components of the split data were the same, so it was finally determined that the number of three components was appropriate in the model. The DOM samples were analyzed by the developed PARAFAC model. It was confirmed that the ratio of humic components was higher in the order of WWTP effluent ≈ wetland > river > WWTP influent, and the ratio of protein components affected by microbial activity was in the order of WWTP influent > river > wetland ≈ WWTP effluent.Conclusion : In this paper, the procedure of PARAFAC modeling was described and the DOM fluorescence properties were compared. This research provides a practical method for increasing the utilization of the PARAFAC model in the water treatment research field. In addition, the result of the PARAFAC model is useful data to control DOM efficiently in water treatment facilities.
应用PARAFAC技术比较不同溶解有机物的荧光性质
目的:提供了一种用PARAFAC技术分析溶解有机物(DOM)的详细方法,旨在鉴定不同水源中DOM的不同荧光成分。方法:基于Stedmon等人的PARAFAC教程,使用来自湿地、河流、污水处理厂进水和出水的160个样本进行PARAFAC建模。该过程包括数据预处理、初始模型创建、离群值分析、对半分析、核心一致性和平方误差和分析(SSE)。在完成模型验证步骤后,通过验证的PARAFAC模型对样品进行分析。结果和讨论:创建了一个包含2至4个组件的初始模型,作为离群值分析的结果,将四个污水处理厂进水样本作为离群值删除。SSE分析结果表明,两分量模型的SSE值相对于三或四分量模型的SSE值更高。在核心一致性情况下,包含2、3、4个成分的模型得分分别为99.6%、94.9%、65.7%。通过拆分半分析,拆分数据中三个分量的模型的光谱是相同的,因此最终确定模型中三个分量的数量是合适的。采用开发的PARAFAC模型对DOM样品进行分析。结果表明:受微生物活性影响的蛋白质组分比例依次为:污水排放>河流>湿地≈污水排放>,腐殖质组分比例依次为:污水排放>河流>湿地≈污水排放>。结论:本文描述了PARAFAC的建模过程,并比较了DOM的荧光性质。本研究为提高PARAFAC模型在水处理研究领域的应用提供了一种实用的方法。此外,PARAFAC模型的结果为有效控制水处理设施中的DOM提供了有用的数据。
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