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Drug Concentrations: Measurements

Drug Concentrations: Measurements

Drug concentration is the quantity of a drug present in a biological sample. Measuring drug amounts in biological samples allows the clinician to understand how a drug is absorbed, distributed, metabolized, and excreted. Samples can be obtained through invasive or non-invasive methods. Invasive techniques involve surgical or parenteral interventions to gather blood, cerebrospinal fluid, or tissue biopsy. Conversely, non-invasive approaches provide samples like urine, feces, and saliva.
Plasma...

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Rapid High-throughput Species Identification of Botanical Material Using Direct Analysis in Real Time High Resolution Mass Spectrometry

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开放数字参考材料解锁受控物质分析控制物质分析

Yu Tang^1,2, Sinan Wang¹, Cuifen Fang³

¹Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Analytical chemistry

|July 2, 2025

概括

此摘要是机器生成的。

数字参考材料 (dRM) 取代了用于分析罕见物质的物理材料. 量子力学驱动的HifSA配置文件提供便携式,特定的分子引用,证明对受控的Ephedra类化合物有效.

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科学领域:

分析化学分析化学
计算化学的计算化学
药理学是指药理学,即药理学是指药理学.

背景情况:

同样的参考材料 (iRM) 的可用性和可访问性有限,阻碍了稀有和受控物质的化学分析.
数字参考材料 (dRM) 通过提供可访问和特定的分子数据,提供了一个概念解决方案.
量子力学 (QM) 驱动的治疗性非国有化的pin分析 (HifSA) 产生了分子的数字形状 ("核基因型").

研究的目的:

建立使用开放式dRM来取代iRM的概念验证,用于控制的Ephedra化物.
证明HifSA配置文件的现场可扩展性和可移植性,用于定性和定量分析.
将开放DRM的概念扩展到更广泛的受控物质.

主要方法:

使用QM,生成可实地扩展的HifSA配置文件,用于使用QM对受控的Ephedra类化合物 (ephedrine, pseudoephedrine, methylephedrine) 进行分析.
应用HifSA配置文件用于E.E.分析锡尼卡和一个多成分的传统中医药混合物.
使用基于整数的qHNMR (INT-qHNMR) 和HPLC-UV.使用QM衍生的定量NMR (qHNMR) 结果的验证.
将该方法扩展到12种同源乙胺,以创建一组开放的dRM.
两种软件工具 (Cosmic Truth和ChemAdder) 的比较,用于HifSA分析和QM-qHNMR分析.

主要成果:

成功的概念验证,用开放的dRM取代iRM,用于控制的甲.
在一系列磁场强度 (60-600 MHz) 中,证明了HifSA配置文件的高特异性和仪器可移植性.
单替代的几乎相同的合常量 (在10mHz范围内) 验证了dRM配置文件的真实性.
在受控物质空间内建立了12种先天性乙烯胺的开放dRM的起始组.

结论:

通过QM驱动的HifSA生成的开放DRM可以有效地取代传统的IRM来分析受控物质.
HifSA方法提供了便携式和高度特定的分子引用,提升了分析能力.
这种方法增强了复杂混合物的分析工具箱,允许同时识别和量化,并促进分析化学的可持续性.