Spectral Service AG, Emil-Hoffmann-Straße 33, 50996 Köln, Germany; Institute of Chemistry, Saratov State University, Astrakhanskaya Street 83, 410012 Saratov, Russia.
Spectral Service AG, Emil-Hoffmann-Straße 33, 50996 Köln, Germany.
J Pharm Biomed Anal. 2018 Feb 5;149:114-119. doi: 10.1016/j.jpba.2017.10.020. Epub 2017 Oct 27.
High resolution (600MHz) nuclear magnetic resonance (NMR) spectroscopy is used to distinguish heparin and low-molecular weight heparins (LMWHs) produced from porcine, bovine and ovine mucosal tissues as well as their blends. For multivariate analysis several statistical methods such as principal component analysis (PCA), factor discriminant analysis (FDA), partial least squares - discriminant analysis (PLS-DA), linear discriminant analysis (LDA) were utilized for the modeling of NMR data of more than 100 authentic samples. Heparin and LMWH samples from the independent test set (n=15) were 100% correctly classified according to its animal origin. Moreover, by using H NMR coupled with chemometrics and several batches of bovine heparins from two producers were differentiated. Thus, NMR spectroscopy combined with chemometrics is an efficient tool for simultaneous identification of animal origin and process based manufacturing difference in heparin products.
高分辨率（600MHz）核磁共振（NMR）光谱用于区分源自猪、牛和羊黏膜组织以及它们的混合物的肝素和低分子量肝素（LMWH）。对于多元分析，利用了几种统计方法，如主成分分析（PCA）、因子判别分析（FDA）、偏最小二乘判别分析（PLS-DA）、线性判别分析（LDA），对 100 多个真实样本的 NMR 数据进行建模。根据动物来源，独立测试集（n=15）中的肝素和 LMWH 样本的分类准确率达到 100%。此外，通过使用 1H NMR 结合化学计量学，还可以区分来自两个生产商的几批牛肝素。因此，NMR 光谱结合化学计量学是一种有效的工具，可用于同时识别肝素产品的动物来源和基于工艺的制造差异。
