Pagano Todd, Ross Annemarie D, Chiarelli Joseph, Kenny Jonathan E
Department of Science & Mathematics, Laboratory Science Technology program. Rochester Institute of Technology/National Technical Institute for the Deaf, Rochester, NY, USA.
J Environ Monit. 2012 Mar;14(3):937-43. doi: 10.1039/c2em10501b. Epub 2012 Jan 25.
Indicators suggest that the amount of dissolved organic carbon (DOC) in natural waters may be increasing. Climate change has been proposed as a potential contributor to the trend, and under such a mechanism, the phenolic content of DOC may also be increasing. This study explores the assessment of the phenolic character of DOC using multidimensional fluorescence spectroscopy as a more convenient alternative to traditional wet chemistry methods. Parallel factor analysis (PARAFAC) is applied to fluorescence excitation emission matrices (EEMs) of humic samples to analyze inherent phenolic content. The PARAFAC results are correlated with phenol concentrations derived from the Folin-Ciocalteau reagent-based method. The reagent-based method reveals that the phenolic content of five International Humic Substance Society (IHSS) samples varies from approximately 5.2 to 22 ppm Tannic Acid Equivalents (TAE). A four-component PARAFAC fit is applied to the EEMs of the IHSS sample dataset and it is determined by PARAFAC score correlations with phenol concentrations from the reagent-based method that components C2, C3, and C4 have the highest probability of containing phenolic groups. The results show the potential for PARAFAC analysis of multidimensional fluorescence data for monitoring the phenolic content of DOC.
指标表明，天然水体中溶解有机碳（DOC）的含量可能正在增加。气候变化被认为是导致这一趋势的一个潜在因素，在这种机制下，DOC中的酚类含量可能也在增加。本研究探索使用多维荧光光谱法评估DOC的酚类特征，作为一种比传统湿化学方法更便捷的替代方法。平行因子分析（PARAFAC）应用于腐殖质样品的荧光激发发射矩阵（EEMs），以分析其固有酚类含量。PARAFAC分析结果与基于福林-酚试剂法得出的酚浓度相关。基于试剂的方法表明，五个国际腐殖质协会（IHSS）样品的酚类含量在约5.2至22 ppm单宁酸当量（TAE）之间变化。对IHSS样品数据集的EEMs应用四组分PARAFAC拟合，并通过PARAFAC得分与基于试剂的方法得出的酚浓度之间的相关性确定，组分C2、C3和C4最有可能含有酚基。结果表明PARAFAC分析多维荧光数据在监测DOC酚类含量方面具有潜力。
