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Determination of chondroitin sulfate in tablets by Raman spectroscopy and near-infrared spectroscopy combined with chemometric methods

机译:拉曼光谱和近红外光谱结合化学计量学方法测定片剂中的硫酸软骨素

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Chondroitin sulfate (CS) is an example of a type of acidic mucopolysaccharides, which consist of repeating disaccharide units of glucuronic acid and galactosamine. Since CS has no UV chromophore it is usually detected by its terminal absorption at a wavelength of 200 nm due to the N-acetyl function, resulting in lower sensitivity. Raman spectroscopy (Raman) and near-infrared spectroscopy (NIR) coupled with partial least squares (PLS) can provide rapid, simple, reproducible and non-destructive quantitative analysis of CS, and no sample pre-treatment or pre-separation are required. In the present study we predicted the CS content of tablets using Raman and NIR combined with PLS. Our results showed that the predicted values obtained by NIR were in good agreement with the actual values, with a correlation coefficient of 0.994. In Raman spectroscopy studies, when the CS content of tablets was within the range 7-39% the correlation coefficient and root mean square error of calibration (RMSEC) were 0.998 and 0.578, respectively. When the CS content of tablets was within the range 41-67% the correlation coefficient and RMSEC were 0.994 and 0,742, respectively. High accuracy could thus be achieved within a wider concentration range by use of NIR, whereas relatively high accuracy could be obtained only within a limited concentration range by the use of Raman spectroscopy.
机译:硫酸软骨素(CS)是一种酸性粘多糖的例子,它由葡萄糖醛酸和半乳糖胺的重复二糖单元组成。由于CS没有紫外线发色团,由于N-乙酰基的作用,它通常在200 nm波长处通过末端吸收来检测,从而降低了灵敏度。拉曼光谱(Raman)和近红外光谱(NIR)结合偏最小二乘(PLS)可以对CS进行快速,简单,可重现和无损的定量分析,无需样品预处理或预分离。在本研究中,我们使用拉曼光谱和NIR结合PLS预测了片剂的CS含量。我们的结果表明,通过NIR获得的预测值与实际值非常吻合,相关系数为0.994。在拉曼光谱研究中,当片剂的CS含量在7-39%的范围内时,校正系数的相关系数和均方根误差(RMSEC)分别为0.998和0.578。当片剂的CS含量在41-67%范围内时,相关系数和RMSEC分别为0.994和0742。因此,通过使用近红外光谱可以在较宽的浓度范围内实现高精度,而通过使用拉曼光谱法只能在有限的浓度范围内获得相对较高的精度。

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