假阳性悖论
化学
灵敏度(控制系统)
鉴定(生物学)
质谱法
色谱法
数据挖掘
人工智能
计算机科学
工程类
电子工程
植物
生物
作者
Qinjingwen Cao,Jianguo Guan,Delia Li,Jennifer Zhang,Rie Togashi,Elizabeth J. Johnson,Wayman Chan,Jia Guo,P. L. Liu,Yiran Liang,Lance Cadang,Anna Mah,John B. Briggs,Bing Zhang,Salvador Galván,Monica Sadek,Kevin M. Legg,K. Ilker Sen,Maria Basanta‐Sanchez,Luis Ismael Ortega Ruiz
标识
DOI:10.1021/acs.analchem.4c04913
摘要
New peak detection (NPD) is a significant component of the multiattribute method (MAM) for MS use to facilitate the detection of quality attributes exhibiting abnormal ratio changes, vanishing attributes, or newly emerging attributes. However, challenges remain to get a balanced sensitivity and minimize false positives in NPD. In this study, we have developed a robust NPD and identification method to enhance sensitivity 10-fold (0.5% spike-in) compared to previously reported work while maintaining controlled false positives via a statistics-driven experimental design utilizing three control samples and a product-specific peptide library. This method not only enables MAM to replace conventional analytical methods for quality attribute control, but also provides a new and objective way of performing differential analysis of LC-MS-based experiments at different stages of the biopharmaceutics process development.
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