Thissen Jana, Klassen Martin D, Fischer Björn, Hacker Michael C, Breitkreutz Jörg, Teutenberg Thorsten, Cunha Ricardo
Institut Für Umwelt & Energie, Technik & Analytik E.V. (IUTA), Bliersheimer Str. 58-60, 47229, Duisburg, Germany.
Faculty of Mathematics and Natural Sciences, Institute of Pharmaceutics and Biopharmaceutics, Heinrich Heine University, Universitätsstr. 1, 40225, Düsseldorf, Germany.
Anal Bioanal Chem. 2025 Aug;417(19):4469-4480. doi: 10.1007/s00216-025-05964-3. Epub 2025 Jun 26.
Innovative hyphenated technologies, such as size exclusion chromatography coupled with capillary-enhanced Raman spectroscopy (SEC-CERS), enable more comprehensive analyses of biopharmaceutical drug products. However, specialized software for processing and analyzing data from these advanced techniques is often lacking. This study introduces the R package StreamFind, which is designed to help users seamlessly process both chromatographic and Raman spectroscopic data within an integrated workflow. We detail the implementation and structure of StreamFind and demonstrate its ability in the in-depth analysis of biopharmaceutical products. The study shows its capability to differentiate monoclonal antibodies and entire biopharmaceutical formulations and to quantify various components based on their Raman spectra. Principal component analysis (PCA) identified significant differences among the biopharmaceutical products analyzed, while multivariate curve resolution-alternating least squares (MCR-ALS) proved to be an effective method for quantifying different components within these products. The StreamFind platform is designed to be extensible, to facilitate contributions from new users and to support the future integration of additional algorithms to process different types of complex analytical data.
创新的联用技术，如尺寸排阻色谱与毛细管增强拉曼光谱联用（SEC-CERS），能够对生物制药产品进行更全面的分析。然而，通常缺乏用于处理和分析这些先进技术数据的专业软件。本研究介绍了R包StreamFind，其旨在帮助用户在集成工作流程中无缝处理色谱和拉曼光谱数据。我们详细阐述了StreamFind的实现和结构，并展示了其对生物制药产品进行深入分析的能力。该研究表明它能够区分单克隆抗体和整个生物制药制剂，并根据其拉曼光谱对各种成分进行定量。主成分分析（PCA）确定了所分析的生物制药产品之间的显著差异，而多元曲线分辨交替最小二乘法（MCR-ALS）被证明是定量这些产品中不同成分的有效方法。StreamFind平台设计为可扩展的，以方便新用户的贡献，并支持未来集成更多算法来处理不同类型的复杂分析数据。
