Quantitative Raman Spectroscopy of Urea and Thiourea in the Reaction Mixtures of Allantoin and 4,5‐Dihydroxyimidazolidine‐2‐Tione Formation

IF 2.4 3区 化学 Q2 SPECTROSCOPY
L. E. Kalichkina, P. K. Krivolapenko, V. P. Tuguldurova
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Abstract

The present work introduces a new approach to quantitative determine the reagent concentrations (thiourea and urea) using in situ Raman spectroscopy in the reaction mixture exemplified by the reactions of formation of allantoin and 4,5‐dihydroxyimidazolidine‐2‐thione. The approach comprises the use of a commercially available immersion probe (MarqMetrix Process Elite BallProbe with sapphire lens) as a standard for the immersion probe band at 790 cm−1 of optical glass. This leads to a linear dependence of the ratio of the intensity of non‐overlapping analyte bands at 1003 cm−1 of ‐C‐N‐ vibrations in urea to the one of the 790 cm−1 immersion probe band on the concentration of urea in the test solution. The definable method parameters such as precision (repeatability and reproducibility), linearity, limit of detection (LoD), limit of quantitation (LoQ), and accuracy were determined. The quantitative Raman spectroscopy method is linear, precise within the range of determined concentrations from 0.75 to 2.00 M and can be used to calculate the kinetics of allantoin formation. Using thiourea as an example, it is shown that despite the partial overlap of the analyte band at 730 cm−1 of the ‐C=S vibrations of thiourea with the immersion probe band at 790 cm−1, the method to determine thiourea in the reaction of 4,5‐dihydroxyimidazolidine‐2‐thione preparation is also linear and precise in the range of determined concentrations from 0.10 to 1.57 M.
尿囊素和 4,5-二羟基咪唑烷-2-硫酮反应混合物中尿素和硫脲的定量拉曼光谱分析
本研究以尿囊素和 4,5-二羟基咪唑烷-2-硫酮的生成反应为例,介绍了一种利用反应混合物中的原位拉曼光谱定量测定试剂浓度(硫脲和尿素)的新方法。该方法包括使用市售的浸入式探针(带蓝宝石透镜的 MarqMetrix Process Elite BallProbe)作为光学玻璃 790 cm-1 处浸入式探针带的标准。因此,尿素中 -C-N- 振动 1003 cm-1 处非重叠分析带的强度与 790 cm-1 浸入探针带的强度之比,与测试溶液中尿素的浓度呈线性关系。测定了方法的精密度(重复性和再现性)、线性度、检出限(LoD)、定量限(LoQ)和准确度等可定义的参数。定量拉曼光谱法线性好,在 0.75 至 2.00 M 的测定浓度范围内精确度高,可用于计算尿囊素的形成动力学。以硫脲为例,尽管硫脲的 -C=S 振荡的 730 cm-1 分析带与 790 cm-1 的浸入探针带有部分重叠,但在 4,5-二羟基咪唑烷-2-硫酮制备反应中测定硫脲的方法在 0.10 至 1.57 M 的测定浓度范围内也是线性和精确的。
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来源期刊
CiteScore
5.40
自引率
8.00%
发文量
185
审稿时长
3.0 months
期刊介绍: The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications. Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.
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