拉曼光谱仪的长期设备稳定性
Shuxia Guo1,2, Anuradha Ramoji1,2, Aikaterini Pistiki1,2
1Leibniz Institute of Photonic Technology, Member of Leibniz Health Technologies, Member of the Leibniz Centre for Photonics in Infection Research (LPI), Albert Einstein Strasse 9, 07745 Jena, Germany. shuxia.guo@uni-jena.de.
The Analyst
|May 27, 2025
概括
长期拉曼光谱仪器的稳定性在10个月内使用13种参考物质进行了评估. 计算方法,包括变化自编码器 (VAE) 和广泛的乘法散射校正 (EMSC),显著减少了光谱变化,提高了数据可靠性.
科学领域:
- 分析化学 分析化学
- 频谱学是一种光谱学.
- 工具分析 工具分析
背景情况:
- 长期稳定性对于可靠的拉曼光谱应用至关重要,特别是在疾病诊断中.
- 设备漂移可以损害数据的准确性,并导致重大后果.
- 需要进行系统的调查,以了解和减轻仪器变化.
研究的目的:
- 系统地研究拉曼光谱仪器的长期仪器稳定性.
- 在10个月的时间内量化设备相关的变化.
- 探索用于减少光谱变量的计算方法.
主要方法:
- 在10个月内每周对13种不同的质量控制物质进行测量.
- 获得每种物质每次测量每天大约50个拉曼光谱.
- 开发一个数据管道来分析强度变化,相关系数,聚类和稳定性基准测试的分类.
主要成果:
- 发现拉曼装置的变化主要是随机的,而不是系统的.
- 计算方法,特别是变化自编码器 (VAE) 网络和广泛的乘法散射校正 (EMSC),在减少光谱变化方面是有效的.
- 在独立测量日中,对分类任务的预测准确度得到了改进.
结论:
- 长期的拉曼装置稳定性可以通过计算数据处理显著提高.
- VAE和EMSC的组合提供了一种有希望的方法来缓解光谱变化.
- 通过稳定性校正提高数据可靠性,支持拉曼光谱在关键领域的更广泛应用.
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