GlaxoSmithKline , Gunnels Wood Road, Stevenage, SG1 2NY, United Kingdom of Great Britain and Northern Ireland.
Anal Chem. 2017 Feb 7;89(3):1772-1777. doi: 10.1021/acs.analchem.6b04060. Epub 2017 Jan 17.
Universal quantitative detection without the need for analyte reference standards would offer substantial benefits in many areas of analytical science. The quantitative capability of high-performance liquid chromatography (HPLC) with charged aerosol detection (CAD) was investigated for 50 compounds with a wide range of physical and chemical properties. It is widely believed that CAD is a mass detector. Quantification of the 50 compounds using a generic calibrant and mass calibration achieved an average error of 11.4% relative to 1H NMR. Correction factors are proposed that estimate the relative surface area of particles in the detector, taking into account the effects of the density and charge of analytes. Performing these corrections and quantifying with surface area calibration, rather than mass, shows considerably improved linearity and uniformity of detection, reducing the average error relative to 1H NMR to 7.1%. The accuracy of CAD quantification was most significantly improved for highly dense compounds, with traditional mass calibration showing an average error of 34.7% and the newly proposed surface area calibration showing an average error of 5.8%.
无需分析物参考标准的通用定量检测将在分析科学的许多领域带来实质性的好处。本文研究了带有带电气溶胶检测（CAD）的高效液相色谱（HPLC）的定量能力，该检测适用于具有广泛物理和化学性质的 50 种化合物。人们普遍认为 CAD 是一种质量检测器。使用通用校准标准品和质量校准对 50 种化合物进行定量，相对于 1H NMR 的相对误差为 11.4%。提出了校正因子，这些校正因子估计了检测器中颗粒的相对表面积，同时考虑了分析物的密度和电荷的影响。进行这些校正并使用表面积校准进行定量，而不是质量，显示出线性度和检测均匀性得到了显著改善，相对于 1H NMR 的平均误差降低至 7.1%。对于高密度化合物，CAD 定量的准确性得到了最大程度的提高，传统的质量校准显示平均误差为 34.7%，而新提出的表面积校准显示平均误差为 5.8%。
