江苏大学学报（医学版）2024，Vol.34Issue(4)：312-316,323,6.DOI:10.13312/j.issn.1671-7783.y230306
红外光谱结合化学计量学方法测定人体肾结石中三聚氰胺
Detection of melamine in human kidney stones by infrared spectroscopy combined with chemometrics
摘要
Abstract
Objective:To establish a method for identifying melamine in stones by fourier transform infrared spectrometer(FTIR)combined with chemometrics.By preparing in vitro simulated calcium oxalate(CaOx)stones containing melamine,the characteristic group information of melamine was analyzed,and the characteristic response bands of 1 535～1 548 cm-1,983～997 cm-1 and 704～716 cm-1 were selected for stoichiometric analysis.The training set was established with simulated CaOx stones and human kidney stone samples,and the validation set was established with human kidney stones,and the IR spectra of obtained stone samples were preprocessed by baseline correction,smoothing,vector normalization,second-order derivation,and standard normal variable transformation.OPUS software and Unscrambler software were used for cluster analysis and principal component analysis of stone samples to identify melamine in human kidney stones.Results:In the training set,the identification rate of melamine-containing stones was 90.9％by cluster analysis,and 91.8％was identified by principal component analysis.In the validation set,95.0％of the stones containing melamine were successfully identified.Conclusion:FTIR combined with chemometrics can effectively identify melamine in stones.关键词
肾结石/三聚氰胺/傅里叶变换红外光谱/化学计量法/主成分分析/聚类分析Key words
kidney stones/melamine/fourier transform infrared spectrum/chemometrics/principal component analysis/cluster analysis分类
医药卫生引用本文复制引用
戴江名,龙启来,徐志兵,陈波,郑晗筱,刘乐,陈亮..红外光谱结合化学计量学方法测定人体肾结石中三聚氰胺[J].江苏大学学报（医学版）,2024,34(4):312-316,323,6.基金项目
浙江省公益技术研究计划/分析测试项目(LGC20B050005) （LGC20B050005）
