Suppr超能文献

基于表面增强拉曼光谱(SERS)联用化学计量学定量检测血浆中奥卡西平的浓度

Quantitation of Oxcarbazepine Clinically in Plasma Using Surfaced-Enhanced Raman Spectroscopy (SERS) Coupled with Chemometrics.

机构信息

Department of Pharmacy, Xiangya Hospital, Central South University, Changsha, China.

出版信息

Appl Spectrosc. 2019 Jul;73(7):801-809. doi: 10.1177/0003702819845389. Epub 2019 May 21.

Abstract

Nondestructive, sensitive, near-real-time quantitative analysis approaches are gaining popularity and attention, especially in clinical diagnosis and detection. There is a need to propose an alternative scheme using surface-enhanced Raman spectroscopy (SERS) assisted by chemometrics to improve some defects existing using other analytical instruments to meet clinical demands. In this study, clinical drug oxcarbazepine (OXC) in human blood plasma has been quantified and detected using this method. Partial least squares regression (PLSR) modeling was employed to assess the relationship between full SERS spectral data and OXC concentration. The calibration set's correlation coefficient of the model is > 0.9, the result suggests that this method is favorable and feasible. Furthermore, other multivariate calibration algorithms like Monte Carlo cross-validation (MCCV) sample set partitioning based on joint distances (SPXY), adaptive iteratively reweighted penalized least squares (AIR-PLS), moving window partial least squares regression (MWPLS), and leave-one-out cross-validation were used to handle these spectral data to obtain an accurate predictive model. The results achieved in this study provide a possibility and availability for us to apply SERS in combination with chemometrics to diagnosis detection.

摘要

非破坏性、灵敏、近乎实时的定量分析方法越来越受到欢迎和关注,特别是在临床诊断和检测中。需要提出一种替代方案,使用表面增强拉曼光谱(SERS)结合化学计量学,以改善使用其他分析仪器存在的一些缺陷,以满足临床需求。在这项研究中,使用这种方法对人血浆中的临床药物奥卡西平(OXC)进行了定量和检测。采用偏最小二乘回归(PLSR)模型评估全 SERS 光谱数据与 OXC 浓度之间的关系。模型的校准集相关系数>0.9,结果表明该方法是有利且可行的。此外,还使用了其他多元校正算法,如蒙特卡罗交叉验证(MCCV)基于联合距离的样本集分区(SPXY)、自适应迭代重加权惩罚最小二乘(AIR-PLS)、移动窗口偏最小二乘回归(MWPLS)和留一法交叉验证来处理这些光谱数据,以获得准确的预测模型。本研究的结果为我们应用 SERS 结合化学计量学进行诊断检测提供了一种可能性和可行性。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验