期刊
ANALYTICAL CHEMISTRY
卷 87, 期 8, 页码 4370-4376出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.analchem.5b00140
关键词
-
资金
- Carl Trygger's Foundation for Scientific Research
- EPSRC studentship
- Royal Society
- Medical Research Council [G1000819]
- European Research Council Investigator Award (IMPRESSS) [268851]
- BBSRC [BB/J014346/1, BB/K004247/1] Funding Source: UKRI
- EPSRC [EP/J01835X/1] Funding Source: UKRI
- MRC [MC_PC_13073, G1000819] Funding Source: UKRI
- Biotechnology and Biological Sciences Research Council [BB/K004247/1, BB/J014346/1] Funding Source: researchfish
- Engineering and Physical Sciences Research Council [EP/J01835X/1] Funding Source: researchfish
- Medical Research Council [MC_PC_13073, G1000819] Funding Source: researchfish
- European Research Council (ERC) [268851] Funding Source: European Research Council (ERC)
Interpretation of mass spectra is challenging because they report a ratio of two physical quantities, mass and charge, which may each have multiple components that overlap in m/z. Previous approaches to disentangling the two have focused on peak assignment or fitting. However, the former struggle with complex spectra, and the latter are generally computationally intensive and may require substantial manual intervention. We propose a new data analysis approach that employs a Bayesian framework to separate the mass and charge dimensions. On the basis of this approach, we developed UniDec (Universal Deconvolution), software that provides a rapid, robust, and flexible deconvolution of mass spectra and ion mobility-mass spectra with minimal user intervention. Incorporation of the charge-state distribution in the Bayesian prior probabilities provides separation of the m/z spectrum into its physical mass and charge components. We have evaluated our approach using systems of increasing complexity, enabling us to deduce lipid binding to membrane proteins, to probe the dynamics of subunit exchange reactions, and to characterize polydispersity in both protein assemblies and lipoprotein Nanodiscs. The general utility of our approach will greatly facilitate analysis of ion mobility and mass spectra.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据