在使用拉曼光学活性 (ROA) 的多元件性质样本中对异构分子过量的线性确定
Karolina Kwiecień1, Piotr Putyra2, Agnieszka Kaczor3
1Jagiellonian University, Faculty of Chemistry, 2 Gronostajowa Str., 30-387 Krakow, Poland; Jagiellonian University, Doctoral School of Exact and Natural Sciences, Prof. St. Łojasiewicza 11 Str., Krakow, Poland; Łukasiewicz Research Network-Institute of Microelectronics and Photonics, 39 Zabłocie Str., 30-701, Krakow, Poland.
Analytica chimica acta
|October 30, 2025
概括
研究人员开发了一种新的拉曼光学活动 (ROA) 设置,配有3D打印的流动反应器,用于快速,现场分析合药物. 这种方法可以准确地确定等离子过量 (EE) 并在没有复杂的样品制备的情况下区分奇拉混合物的成分.
科学领域:
- 分析化学 分析化学
- 频谱学是一种光谱学.
- 基隆式分析 基隆式分析
背景情况:
- 与拉塞米混合物相比,纯净的药物具有更高的特异性和治疗特征.
- 目前用于确定奇拉纯度和绝对配置的方法有限,阻碍了药物开发.
- 像EMA和FDA这样的监管机构需要药物批准的绝对配置数据.
研究的目的:
- 开发一种有效的工具,用于在现场分析溶液中的奇拉药物.
- 为了能够快速,在流中确定反体纯度和绝对配置.
- 为了解决制药行业对先进的性分析技术的需求.
主要方法:
- 在线拉曼光学活动 (ROA) 装置的设计和建造.
- 整合3D打印的流量反应器,用于现场和流量测量.
- 使用局部最小方程 (PLS) 回归进行定量分析,以确定反体过量 (EE).
主要成果:
- 开发的ROA设置成功地确定了高准确度和精度 (RMSECV<1.35%,R2>99.95%) 的奇拉样本的酶体过量 (EE).
- 该系统表现出了出色的立体感应度和能够对性化合物的内流分析的能力.
- 该方法有效地区分了奇拉混合物中的成分,这是ROA的独特能力.
结论:
- 本研究提出了第一个成功的入流和现场ROA评估复杂混合物中性纯度.
- 直接方法消除了需要广泛的样本准备,反体分离或衍生化的需要.
- 开发的解决方案提供了一条通往操作式 (在线) ROA的途径,用于实时监测化学反应中的性.
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