A spectral decomposition quality assessment tool for multi-wavelength AUC experiments with UltraScan

Saeed Mortezazadeh; Borries Demeler

doi:10.1007/s00249-023-01640-5

A spectral decomposition quality assessment tool for multi-wavelength AUC experiments with UltraScan

Saeed Mortezazadeh, Borries Demeler

Chemistry and Biochemistry

University of Lethbridge

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Multi-wavelength analytical ultracentrifugation (MW-AUC) is a recently developed technique that has proven to be a promising tool to investigate mixtures of molecules containing multiple chromophores. It provides an orthogonal separation approach by distinguishing molecules based on their spectral and hydrodynamic properties. Existing software implementations do not permit the user to assess the integrity of the spectral decomposition. To address this shortcoming, we developed a new spectral decomposition residual visualization module, which monitors the accuracy of the spectral decomposition. This module assists the user by providing visual and statistical feedback from the decomposition. The software has been integrated into the UltraScan software suite and an example of a mixture containing thyroglobulin and DNA is presented for illustration purposes.

Original language	English
Pages (from-to)	303-310
Number of pages	8
Journal	European Biophysics Journal
Volume	52
Issue number	4-5
DOIs	https://doi.org/10.1007/s00249-023-01640-5
State	Published - Jul 2023

Funding

This research and S.M. were supported by the Biomolecular Interaction Technology Center, University of Delaware, and the Canada 150 Research Chairs program (C150-2017-00015), the Canada Foundation for Innovation (CFI-37589), the National Institutes of Health (1R01GM120600) and the Canadian Natural Science and Engineering Research Council (DG-RGPIN-2019-05637) – all grants to BD.

Funders	Funder number
1R01GM120600
Delaware State University	C150-2017-00015
DG-RGPIN-2019-05637
Canada Foundation for Innovation	CFI-37589

Keywords

Data fitting
Multi-wavelength analytical ultracentrifugation
Spectral decomposition
Statistical metrics
UltraScan

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10.1007/s00249-023-01640-5

Cite this

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title = "A spectral decomposition quality assessment tool for multi-wavelength AUC experiments with UltraScan",

abstract = "Multi-wavelength analytical ultracentrifugation (MW-AUC) is a recently developed technique that has proven to be a promising tool to investigate mixtures of molecules containing multiple chromophores. It provides an orthogonal separation approach by distinguishing molecules based on their spectral and hydrodynamic properties. Existing software implementations do not permit the user to assess the integrity of the spectral decomposition. To address this shortcoming, we developed a new spectral decomposition residual visualization module, which monitors the accuracy of the spectral decomposition. This module assists the user by providing visual and statistical feedback from the decomposition. The software has been integrated into the UltraScan software suite and an example of a mixture containing thyroglobulin and DNA is presented for illustration purposes.",

keywords = "Data fitting, Multi-wavelength analytical ultracentrifugation, Spectral decomposition, Statistical metrics, UltraScan",

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AB - Multi-wavelength analytical ultracentrifugation (MW-AUC) is a recently developed technique that has proven to be a promising tool to investigate mixtures of molecules containing multiple chromophores. It provides an orthogonal separation approach by distinguishing molecules based on their spectral and hydrodynamic properties. Existing software implementations do not permit the user to assess the integrity of the spectral decomposition. To address this shortcoming, we developed a new spectral decomposition residual visualization module, which monitors the accuracy of the spectral decomposition. This module assists the user by providing visual and statistical feedback from the decomposition. The software has been integrated into the UltraScan software suite and an example of a mixture containing thyroglobulin and DNA is presented for illustration purposes.

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KW - Statistical metrics

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A spectral decomposition quality assessment tool for multi-wavelength AUC experiments with UltraScan

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