水平衰减全反傅里叶变换红外光谱结合化学计量学法应用 ….docVIP

PAGE PAGE 7 收稿日期：2011-11-16；修订日期：2012-02-16 基金项目：浙江省公益技术应用研究计划项目（分析测试）2011C37051 作者简介：孔黎春（1979-），男，浙江磐安人，硕士，工程师，主要研究方向为有机分析。 水平衰减全反射-傅里叶变换红外光谱结合化学计量学法应用于三种缩叶藓属植物的分类 孔黎春, 余鹏, 程存归 (浙江师范大学化学系 金华321004) 摘要 采用水平衰减全反射傅里叶变换红外光谱法(HATR-FT-IR)测定了三种缩叶藓属植物齿边缩叶藓、多枝缩叶藓和中华缩叶藓的FT-IR，由于采用植物常用分类法如聚类分析较难获得理想的分类效果，本文运用离散小波变换对吸收较为相似的三种缩叶藓属植物的FT-IR 进行特征提取。通过分析比较后选择第3，4分解层进行特征向量的提取，利用所得到的特征变量进行径向基神经网络(RBF-NN)训练，再用训练出来的网络对不同产地的三种缩叶藓属植物的FT-IR 离散小波提取后的特征向量进行分类。通过对120个不同样本的验证，说明能够采用基于FT-IR-离散小波进行数据压缩后进行特征变量的提取及径向基神经网络分类法对三种缩叶属植物齿边缩叶藓、多枝缩叶藓和中华缩叶藓进行分类。 关键词 水平衰减全反射傅里叶变换红外光谱法；离散小波特征提取；径向基神经网络；缩叶藓属植物；分类 中图分类号 O657.33 Classification of Three Kinds of Ptychomitrium Based on Horizontal Attenuation Total Reflection–Fourier Transform Infrared Spectroscopy Combined with Chemometric Methods KONG, Li-Chun YU, Peng CHENG, Cun-Gui (Department of Chemistry, Zhejiang Abstract The horizontal attenuated total reflectance Fourier transform infrared spectroscopy (HATR-FT-IR) was used to measure the FT-IRs of the three kinds of Ptychomitrium Ptychomitrium dentatum (Mitt.) Jaeg., Ptychomitrium polyphylloides (C. Muell.) Par.,and Ptychomitrium sinense (Mitt.) Jaeg. For it is hard to get ideal effect of classification by using the common classification methods, such as clustering method, the technique of discrete wavelet transform was used to extract the features of the similar FT-IRs of the three kinds of Ptychomitrium in this paper. Through analyzing and comparing the characteristic vector extraction in 3, 4 detail decomposition layers and training the feature variables via radial basis function neural network (RBF-NN), the characteristic extraction vectors of the FT-IRs of the three kinds of Ptychomitrium were classified by the network which training out by RBF-NN. By means of the verification of 120 different samples, it shows the feasibility of establishing the models with FT-IR-DWT-RBF-NN method to identify the three kinds of Ptychomitrium Ptychomitrium dentatum (Mitt.) Jaeg., Ptychomitrium polyphyllo