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使用均值中心化比率和逆最小二乘法化学计量学解析五组分混合物

Resolution of five-component mixture using mean centering ratio and inverse least squares chemometrics.

作者信息

Issa Mahmoud Mohamed, Nejem R'afat Mahmoud, Shanab Alaa Mohamed Abu, Shaat Nahed Talab

机构信息

Analytical Chemistry, Department of Chemistry, Alaqsa University, P,O,Box 4051, Gaza, Palestine.

出版信息

Chem Cent J. 2013 Sep 12;7(1):152. doi: 10.1186/1752-153X-7-152.

Abstract

BACKGROUND

A comparative study of the use of mean centering of ratio spectra and inverse least squares for the resolution of paracetamol, methylparaben, propylparaben, chlorpheniramine maleate and pseudoephedrine hydrochloride has been achieved showing that the two chemometric methods provide a good example of the high resolving power of these techniques. Method (I) is the mean centering of ratio spectra which depends on using the mean centered ratio spectra in four successive steps that eliminates the derivative steps and therefore the signal to noise ratio is improved. The absorption spectra of prepared solutions were measured in the range of 220-280 nm. Method (II) is based on the inverse least squares that depend on updating developed multivariate calibration model. The absorption spectra of the prepared mixtures in the range 230-270 nm were recorded.

RESULTS

The linear concentration ranges were 0-25.6, 0-15.0, 0-15.0, 0-45.0 and 0-100.0 μg mL-1 for paracetamol, methylparaben, propylparaben, chlorpheniramine maleate and pseudoephedrine hydrochloride, respectively. The mean recoveries for simultaneous determination were between 99.9-101.3% for the two methods. The two developed methods have been successfully used for prediction of five-component mixture in Decamol Flu syrup with good selectivity, high sensitivity and extremely low detection limit.

CONCLUSION

No published method has been reported for simultaneous determination of the five components of this mixture so that the results of the mean centering of ratio spectra method were compared with those of the proposed inverse least squares method. Statistical comparison was performed using t-test and F-ratio at P = 0.05. There was no significant difference between the results.

摘要

背景

对使用比率光谱的均值中心化和逆最小二乘法来解析对乙酰氨基酚、对羟基苯甲酸甲酯、对羟基苯甲酸丙酯、马来酸氯苯那敏和盐酸伪麻黄碱进行了一项比较研究,结果表明这两种化学计量学方法很好地展示了这些技术的高分辨率。方法(I)是比率光谱的均值中心化,它通过在四个连续步骤中使用均值中心化的比率光谱来消除导数步骤,从而提高信噪比。所制备溶液的吸收光谱在220 - 280 nm范围内测量。方法(II)基于逆最小二乘法,它依赖于更新建立的多元校准模型。所制备混合物在230 - 270 nm范围内的吸收光谱被记录下来。

结果

对乙酰氨基酚、对羟基苯甲酸甲酯、对羟基苯甲酸丙酯、马来酸氯苯那敏和盐酸伪麻黄碱的线性浓度范围分别为0 - 25.6、0 - 15.0、0 - 15.0、0 - 45.0和0 - 100.0 μg mL⁻¹。两种方法同时测定的平均回收率在99.9% - 101.3%之间。所建立的两种方法已成功用于预测十味酚糖浆中五组分混合物,具有良好的选择性、高灵敏度和极低的检测限。

结论

尚未有已发表的方法用于同时测定该混合物的五种成分,因此将比率光谱均值中心化方法的结果与所提出的逆最小二乘法的结果进行了比较。使用t检验和F比率在P = 0.05水平进行统计比较。结果之间无显著差异。

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