[Evaluation of Fourier transform near-infrared spectrometer for determination of oxalate in standard urinary solution].

Yeong Eun Kim, Su Hyung Hong, Jung Wan Kim, Jong Young Lee
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Abstract

Objectives: The determination of oxalate in urine is required for the diagnosis and treatment of primary hyperoxaluria, idiopathic stone disease and various intestinal diseases. We examined the possibility of using Fourier transform near-infrared (FT-NIR) spectroscopy analysis to quantitate urinary oxalate. The practical advantages of this method include ease of the sample preparation and operation technique, the absence of sample pre-treatments, rapid determination and non-invasiveness.

Methods: The range of oxalate concentration in standard urine solutions was 0-221 mg/l. These 80 different samples were scanned in the region of 780-1,300 nm with a 0.5 nm data interval by a Spectrum One NTS FT-NIR spectrometer. PCR, PLSR and MLR regression models were used to calculate and evaluate the calibration equation.

Results: The PCR and PLSR calibration models were obtained from the spectral data and they are exactly same. The standard error of estimation (SEE) and the % variance were 10.34 mg/l and 97.86%, respectively. After full cross validation of this model, the standard error of estimation was 5.278 mg/l, which was much smaller than that of the pre-validation. Furthermore, the MCC (multiple correlation coefficient) was 0.998, which was compatible with the 0.923 or 0.999 obtained from the previous enzymatic methods.

Conclusions: These results showed that FT-NIR spectroscopy can be used for rapid determination of the concentration of oxalate in human urine samples.

傅立叶变换近红外光谱仪测定标准尿液中草酸盐的评价
目的:尿中草酸盐的测定对原发性高草酸血症、特发性结石病和各种肠道疾病的诊断和治疗有重要意义。我们研究了使用傅里叶变换近红外(FT-NIR)光谱分析定量尿液草酸盐的可能性。该方法具有样品制备和操作技术简单、不需要样品前处理、测定快速、无创等优点。方法:标准尿液中草酸盐浓度范围为0 ~ 221 mg/l。这80种不同的样品在780 ~ 1300 nm范围内用Spectrum One NTS FT-NIR光谱仪以0.5 nm的数据间隔进行扫描。采用PCR、PLSR和MLR回归模型对标定方程进行计算和评价。结果:从光谱数据得到的PCR和PLSR标定模型完全一致。估计标准误差(SEE)和方差%分别为10.34 mg/l和97.86%。经充分交叉验证,该模型的估计标准误差为5.278 mg/l,比预验证的标准误差小得多。多重相关系数(MCC)为0.998,与前两种方法的多重相关系数(0.923或0.999)一致。结论:傅里叶变换近红外光谱法可用于快速测定人尿样品中草酸盐的浓度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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