Multi-speed sedimentation velocity simulations with UltraScan-III

Simple item page
dc.contributor.authorWilliams, Taylor L.
dc.contributor.authorGorbet, Gary E.
dc.contributor.authorDemeler, Borries
dc.date.accessioned2021-07-30T21:47:43Z
dc.date.available2021-07-30T21:47:43Z
dc.date.issued2018
dc.descriptionAccepted author manuscripten_US
dc.description.abstractA framework for the global analysis of multi-speed analytical ultracentrifugation sedimentation velocity experiments is presented. We discuss extensions to the adaptive space–time finite element fitting methods implemented in UltraScan-III to model sedimentation velocity experiments where a single run is performed at multiple rotor speeds, and describe extensions in the optimization routines used for fitting experimental data collected at arbitrary multi-speed profiles. Our implementation considers factors such as speed dependent rotor stretching, the resulting radial shifting of the finite element solution’s boundary conditions, and changes in the associated time-invariant noise. We also address the calculation of acceleration rates and acceleration zones from existing radial acceleration and time records, as well as utilization of the time state object available at high temporal resolution from the new Beckman Optima AUC instrument. Analysis methods in UltraScan-III support unconstrained models that extract reliable information for both the sedimentation and the diffusion coefficients. These methods do not rely on any assumptions and allow for arbitrary variations in both sedimentation and diffusion transport. We have adapted these routines for the multi-speed case, and developed optimized and general grid based fitting methods to handle changes in the information content of the simulation matrix for different speed steps. New graphical simulation tools are presented that assist the investigator to estimate suitable grid metrics and evaluate information content based on edit profiles for individual experiments.en_US
dc.description.peer-reviewYesen_US
dc.identifier.citationWilliams, T. L., Gorbet, G. E., & Demeler, B. (2018). Multi-speed sedimentation velocity simulations with UltraScan-III. European Biophysics Journal, 47, 815-823. https://doi.org/10.1007/s00249-018-1308-0en_US
dc.identifier.urihttps://hdl.handle.net/10133/5982
dc.language.isoen_USen_US
dc.publisherSpringeren_US
dc.publisher.departmentDepartment of Chemistry and Biochemistryen_US
dc.publisher.facultyArts and Scienceen_US
dc.publisher.institutionUniversity of Texas Health Science Center at San Antonioen_US
dc.publisher.institutionUniversity of Lethbridgeen_US
dc.publisher.urlhttps://doi.org/10.1007/s00249-018-1297-zen_US
dc.subjectAnalytical ultracentrifugeen_US
dc.subjectFinite element modellingen_US
dc.subjectMulti-speed analysisen_US
dc.subjectUltraScan
dc.subjectVelocity experiments
dc.subject.lcshCentrifuges
dc.titleMulti-speed sedimentation velocity simulations with UltraScan-IIIen_US
dc.typeArticleen_US
Files
Original bundle
Now showing 1 - 2 of 2
Thumbnail Image
Name:
Demeler-multi-speed-sedimentation.pdf
Size:
4.65 MB
Format:
Adobe Portable Document Format
Description:
Download
Thumbnail Image
Name:
Demeler-multi-speed-sedimentationVR.pdf
Size:
1.26 MB
Format:
Adobe Portable Document Format
Description:
REQUEST a copy of the final published version
Download
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.75 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Demeler, Borries