Publication
Title
Forced degradation of five drug substances for meRgeION validation
Author
Abstract
Drug substance is subjected to acid hydrolysis and oxidative stress against a baseline condition. The goal here is to profile and identify various degradation products of five APIs by setting stress conditions more severe than recommended storage, in order to further understand the underlying chemical mechanisms Non-targeted profiling in DDA mode was conducted for samples at Day 0 (1 sample) and Day 7 (3 samples for 3 conditions) on Orbitrap Fusion Lumos. Converted data files were submitted to MZMine for feature detection. Folder change of each feature under different conditions was calculated in excel. We then built a LC-MS/MS data processing pipeline in meRgeION that enables degradation product annotation by searching the spectral database Drug+ (lib_drug_plus_matrix.RData) and mechanism understanding through FBMN.   
Language
English
Related publication(s)
Publication
Zenodo , 2022
DOI
10.5281/ZENODO.7018370
Volume/pages
Full text (Publisher's DOI)
UAntwerpen
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Research group
Project info
CAD WALK: Enabling Computer Aided Diagnosis of Foot Pathologies through the use of Metric Learning
Enabling Computer Aided Diagnosis of Foot Pathologies through the use of Metric Learning (CAD WALK).
Publication type
Subject
Affiliation
Publications with a UAntwerp address
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Creation 28.03.2024
Last edited 29.03.2024
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