CAJ | 학술논문

对不同种类的降糖药片进行拉曼光谱的核主成分分析(KPCA)-聚类分析,实现快速、简便的鉴别.KPCA可以有效地避免主成分分析(PCA)只能处理线性问题和降维效果不明显的弊端.它通过一个非线性变换,首先将原变量空间映射到高维特征空间,然后在这个高维特征空间中进行线性主成分分析.采集得到的药片拉曼光谱的KPCA-聚类分析结果表明,采用KPCA提取特征变量的聚类结果比采用PCA提取特征变量后进行聚类分析的效果好,并且未经刮除表面包膜的降糖药片识别准确率为96.5%,经过刮除表面包膜处理的降糖药片的识别准确率为100%.便携式拉曼光谱仪结合该方法以其检测速度快、准确率高、使用简便、无样品前处理等显著优势,为药品的快速检验技术提供一种新的有效的鉴别手段.
대불동충류적강당약편진행랍만광보적핵주성분분석(KPCA)-취류분석,실현쾌속、간편적감별.KPCA가이유효지피면주성분분석(PCA)지능처리선성문제화강유효과불명현적폐단.타통과일개비선성변환,수선장원변량공간영사도고유특정공간,연후재저개고유특정공간중진행선성주성분분석.채집득도적약편랍만광보적KPCA-취류분석결과표명,채용KPCA제취특정변량적취류결과비채용PCA제취특정변량후진행취류분석적효과호,병차미경괄제표면포막적강당약편식별준학솔위96.5%,경과괄제표면포막처리적강당약편적식별준학솔위100%.편휴식랍만광보의결합해방법이기검측속도쾌、준학솔고、사용간편、무양품전처리등현저우세,위약품적쾌속검험기술제공일충신적유효적감별수단.
In the present paper, five different kinds of hypoglycemic tablets were identified using kernel principal component analysis (KPCA)-clustering analysis of their Raman spectra. KPCA was used to compress thousands of spectral data into several variables and to describe the body of the spectra before clustering analysis was chosen as further research method. The results showed that hypoglycemic tablets could be quickly classified using KPCA-clustering analysis. A disadvantage of Raman spectros-copy for this type of analysis is that it is primarily a surface technique. As a consequence, the spectra of the tablet core and its coating might differ. However, the KPCA-clustering analysis turned out to be a sufficiently reliable discrimination, i. e., 96% of the hypoglycemic tablets with coating and 100% of the hypoglycemic tablets without coating were predicted correctly. Over-all, the Raman spectroscopic method in the present paper plays a good role in the identification and offers a new approach to the rapid discrimination of different kinds of hypoglycemic tablets.