用主成份-聚类分析方法研究河水、沉积物和土壤腐植酸红外光谱的特征与差异

APPLICATION OF PRINCIPLE COMPONENT-CLUSTERING ANALYSIS TO CLASSIFICATION OF FT-IR SPECTRA OF AQUATIC,SEDIMENT AND SOLL HUMIC AND FULVIC ACIDS FROM MAIN RIVERS OF CHINA

测定了采用自黑龙江、黄河和长江河水、沉积物及流域土壤中的腐殖酸的富里叶红外谱图。用主成份分析和聚类分析方法研究了它们的特征和差异。根据12个主要吸收峰相对强度的主成份分析结果,可将方差分量的主体部分归入前两个主成份:其一代表含氧官能团在分子骨架上的取代,另一个则表现了样品中酮醛羰基的相对丰度。可以根据实测谱和积分谱,用聚类分析方法将不同种类(胡敏酸和富里酸)以及不同起源(水生、沉积物和土壤)样品红外谱图区分开来。

The infrared spectrd of fulvic and humic acids of stream, sediment, and adjacent soil from three main rivers of China were obtained using transmission FT-IR. Principle component-clustering analysis was used based on relative intensities of twelve bands of the spectra. The important part of the total variation among these data was explained by the first two principle components, one of which corresponds to the substitution of oxygen-containing functional groups on skeleton, and the othr, the abundance of carbonyl C = O of ketone and aldehyde. The FT-IR spectra of the humic substances could be classified by their type (humic and fulvic acid),origin (aquatic and the others) ,and rivers,using integrated or derivative spectra.