Institute of Chemistry, Saratov State University, Astrakhanskaya Street 83, 410012 Saratov, Russia.
Institute of Chemistry, Saratov State University, Astrakhanskaya Street 83, 410012 Saratov, Russia.
J Pharm Biomed Anal. 2021 Feb 5;194:113811. doi: 10.1016/j.jpba.2020.113811. Epub 2020 Dec 1.
The investigation of the possibility to determine various characteristics of powder heparin (n = 115) was carried out with infrared spectroscopy. The evaluation of heparin samples included several parameters such as purity grade, distributing company, animal source as well as heparin species (i.e. Na-heparin, Ca-heparin, and heparinoids). Multivariate analysis using principal component analysis (PCA), soft independent modelling of class analogy (SIMCA), and partial least squares - discriminant analysis (PLS-DA) were applied for the modelling of spectral data. Different pre-processing methods were applied to IR spectral data; multiplicative scatter correction (MSC) was chosen as the most relevant. Obtained results were confirmed by nuclear magnetic resonance (NMR) spectroscopy. Good predictive ability of this approach demonstrates the potential of IR spectroscopy and chemometrics for screening of heparin quality. This approach, however, is designed as a screening tool and is not considered as a replacement for either of the methods required by USP and FDA.
采用红外光谱法研究了粉末肝素（n = 115）的各种特性的测定可能性。肝素样品的评估包括几个参数，如纯度等级、分布公司、动物来源以及肝素种类（即 Na-肝素、Ca-肝素和肝素类似物）。多元分析采用主成分分析（PCA）、软独立建模分类分析（SIMCA）和偏最小二乘判别分析（PLS-DA）对光谱数据进行建模。对 IR 光谱数据应用了不同的预处理方法；选择乘法散射校正（MSC）作为最相关的方法。通过核磁共振（NMR）光谱法对得到的结果进行了验证。该方法具有良好的预测能力，证明了 IR 光谱法和化学计量学在筛选肝素质量方面的潜力。然而，该方法旨在作为筛选工具，不被视为 USP 和 FDA 要求的任何一种方法的替代品。
