Flow Injection Analysis With UV Detection Versus Raman Spectroscopy for the Quantitative Analysis of Remdesivir

IF 2.4 3区 化学 Q2 SPECTROSCOPY Journal of Raman Spectroscopy Pub Date : 2024-08-13 DOI:10.1002/jrs.6723
Marion Berge, Jonhatan Siboni, Carole Mequinion, Eric Caudron, Laetitia Lê
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Abstract

The quality and the security of preparations in hospital centres are essential to guarantee the patient's safety. The development of fast and efficient analytical methods is required to control the finished product before use. In this context, the study aimed to compare the performance and interchangeability of two spectral analytical methods: the flow injection analysis (FIA) with UV detection and the Raman spectroscopy for the quality control of preparation before use to quantify the remdesivir as a SARS-CoV-2 drug. A quantitative study of remdesivir was performed using clinically relevant concentration solutions ranging from 0.25 to 1.625 mg.mL−1 in 0.9% NaCl. Samples were analysed by FIA-UV at 245 nm and by a handheld Raman spectroscopy at 785 nm. Quantitative models were developed using a calibration set (n = 45 samples) and optimized using a validation set (n = 27). An external validation test set (n = 58) was used to compare the two methods by a Bland–Altman plot. Partial least square regression was used to analyse Raman spectra, while univariate analysis was performed at 245 nm for FIA-UV. The regression coefficient was higher than 0.990 for both methods, and the root mean square error of prediction was 0.031 mg.mL−1 for Raman spectroscopy. The Bland–Altman plot confirmed the interchangeability of the two methods and the potential of Raman spectroscopy to control remdesivir during clinical preparation in the hospital.

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流动注射分析法与紫外检测法和拉曼光谱法在雷米地韦定量分析中的比较
医院中心制剂的质量和安全性对保证病人的安全至关重要。需要开发快速高效的分析方法,以便在使用前对成品进行控制。在此背景下,本研究旨在比较两种光谱分析方法的性能和互换性:紫外检测流动注射分析法(FIA)和拉曼光谱法,用于制剂使用前的质量控制,以定量分析作为 SARS-CoV-2 药物的雷米地韦。使用 0.9% NaCl 溶液中 0.25 至 1.625 mg.mL-1 的临床相关浓度溶液对雷米替韦进行了定量研究。样品在 245 纳米波长下通过 FIA-UV 进行分析,在 785 纳米波长下通过手持拉曼光谱进行分析。使用校准集(n = 45 个样品)建立定量模型,并使用验证集(n = 27 个样品)进行优化。使用外部验证测试集(n = 58)通过布兰-阿尔特曼图对两种方法进行比较。偏最小二乘法回归用于分析拉曼光谱,而单变量分析则在 245 nm 波长处对 FIA-UV 进行。两种方法的回归系数均大于 0.990,拉曼光谱的预测均方根误差为 0.031 mg.mL-1。Bland-Altman 图证实了两种方法的互换性以及拉曼光谱法在医院临床制备过程中控制雷米替韦的潜力。
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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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