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

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.

Automated summary

Multi-wavelength analytical ultracentrifugation (MW-AUC) is a promising technique for studying mixtures of molecules with multiple chromophores. It distinguishes molecules based on their spectral and hydrodynamic properties. However, existing software lacks the ability to assess the accuracy of spectral decomposition. To address this, we developed a new module that provides visual and statistical feedback to assist users in evaluating decomposition integrity. The module has been integrated into the UltraScan software suite and demonstrated with an example of thyroglobulin and DNA mixture.