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Biology subjects

Huebner, F.

Publications and source records attributed to Huebner, F..

2 recordsLinked to original sources

Universal Study Design for Instrument Changes in Pharmaceutical Release Analytics

Instrument changes in analytical methods of pharmaceutical quality control are required to maintain release analytics over decades, yet typically pose a challenge. We designed an efficient instrument comparability study to gain a comprehensive understanding of potential performance differences between instruments and therefore rationalize the risk assessment and decision process for a path forward. The results may either point out whether a full or partial re-validation is necessary or whether a science-based bridging can be pursued based on the data generated in the study. The study design is universally applicable to a substantial range of release analytical methods. In a straightforward setup of two experiments with the new instrument, a statistically meaningful data set is generated for comparison with available historical or validation data of the original instrument. In a Good Manufacturing Practice (GMP) environment, we realized the study design a first benchmark in imaged capillary isoelectric focusing (icIEF) analytics, comparing the ICE3 and Maurice C instruments. The core-study confirmed equal or better performance of Maurice C in all parameters and serves as a basis for seamless continuation of release measurements on Maurice C.

biochemistry↗

Ion Identity Molecular Networking in the GNPS Environment

Molecular networking connects tandem mass spectra of molecules based on the similarity of their fragmentation patterns. However, during ionization, molecules commonly form multiple ion species with different fragmentation behavior. To connect ion species of the same molecule, we developed Ion Identity Molecular Networking. These new relationships improve network connectivity, are shown to reveal novel ion-ligand complexes, enhance annotation within molecular networks, and facilitate the expansion of spectral libraries.

bioinformatics↗