偏最小二乘法建立三磷酸腺苷二钠注射液近红外快速定量模型  

Establishment of Near-infrared Rapid Quantitative Model for Adenosine Triphosphate Disodium Injection by Partial Least Squares

作　　者：韩莹[1] 曾文珊[1] 周远华[1] 王文佳[1] 赖衍清 

机构地区：[1]广州市药品检验所,广州510160 [2]布鲁克(北京)科技有限公司,北京100081

出　　处：《中国药房》2015年第7期991-994,共4页China Pharmacy

摘　　要：目的:建立可用于现场快速筛查、监督药品质量的三磷酸腺苷二钠(ATP-2Na)注射液的快速定量分析模型。方法:收集全国16家生产企业共73批ATP-2Na注射液样品,采集近红外光谱图,利用化学计量学偏最小二乘法(PLS)将光谱信息与含量数据关联,建立通用型定量分析模型,并进行方法学验证。结果:全部样品经聚类分析分为Ⅰ类、Ⅱ类,分开建立两组均质样本定量模型。建立的模型(Ⅰ)交叉验证均方根误差(RMSECV)为1.73%,相关系数为0.951 2;模型(Ⅱ)RMSECV为1.55%,相关系数为0.943 1。模型验证试验中,经配对t检验,两种模型分别对18批和14批样品的预测值与真实值比较,差异无统计学意义。结论:建立的模型能够快速、准确地预测不同生产企业ATP-2Na注射液中ATP-2Na的含量,并能对不合格样品进行预测,达到现场监督快速测定样品含量的目的。OBJECTIVE： To establish the rapid quantitative model for Adenosine triphosphate disodium （ATP-2Na） injection that can be used for on-site rapid screening and monitoring of drug quality. METHODS： 73 batches of ATP-2Na injection were col- lected from 16 manufacturers to collect their near-infrared （NIR） spectroscopy; the universal quantitative model was established through combing spectral information with content data with chemometrics partial least square （PLS）, and then the methodology validation was conducted. RESULTS ： According to cluster analysis, all samples were divided into type Ⅰ and type Ⅱ, and homoge- neous sample quantitative model of 2 groups were established separately. The root mean square error of cross validation （RM- SECV） of model （Ⅰ） and model （Ⅱ） were 1.73% and 1.55%, respectively; the correlation coefficient of model （ Ⅰ ） and model （ Ⅱ ） were 0.951 2 and 0.943 1, respectively. According to the paired t-test, there were no statistically significant differences be- tween predicted and measured values in 18 batches and 14 batches of samples in the model validation test. CONCLUSIONS： The model can predict the content of ATP-2Na in ATP-2Na injection from different manufacturers fast and accurately, predict those un- qualified samples and achieve the purpose of on-site monitoring and rapid determination of sample content.

关 键 词：近红外光谱 偏最小二乘法 三磷酸腺苷二钠注射液 定量模型 

分 类 号：R927[医药卫生—药学]