期刊
ANALYTICAL CHEMISTRY
卷 93, 期 44, 页码 14722-14729出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.analchem.1c03181
关键词
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资金
- REGENXBIO upstream and downstream development departments - National Science Foundation [CHE-1845230]
- National Institutes of Health [T32 GM08804]
This study developed UniDecCD software for computational deconvolution of CD-MS data to overcome charge state uncertainty and significantly improve the resolution, which is crucial for analyzing proteins, viral capsids, and nanodiscs using CD-MS technology.
Native mass spectrometry (MS) has become a versatile tool for characterizing high-mass complexes and measuring biomolecular interactions. Native MS usually requires the resolution of different charge states produced by electrospray ionization to measure the mass, which is difficult for highly heterogeneous samples that have overlapping and unresolvable charge states. Charge detection-mass spectrometry (CD-MS) seeks to address this challenge by simultaneously measuring the charge and m/z for isolated ions. However, CD-MS often shows uncertainty in the charge measurement that limits the resolution. To overcome this charge state uncertainty, we developed UniDecCD (UCD) software for computational deconvolution of CD-MS data, which significantly improves the resolution of CD-MS data. Here, we describe the UCD algorithm and demonstrate its ability to improve the CD-MS resolution of proteins, megadalton viral capsids, and heterogeneous nanodiscs made from natural lipid extracts. UCD provides a user-friendly interface that will increase the accessibility of CD-MS technology and provide a valuable new computational tool for CD-MS data analysis.
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