Bayesian analysis of static light scattering data for globular proteins.

Autor: Yin F; Department of Statistics, University of California at Irvine, Irvine, CA, United States of America., Khago D; Structural Biophysics Laboratory, Center for Cancer Research, National Cancer Institute, Frederick, Maryland, United States of America., Martin RW; Departments of Chemistry and Molecular Biology and Biochemistry, University of California at Irvine, Irvine, CA, United States of America., Butts CT; Departments of Sociology, Statistics, Computer Science and EECS and Institute for Mathematical Behavioral Sciences, University of California at Irvine, Irvine, CA, United States of America.
Jazyk: angličtina
Zdroj: PloS one [PLoS One] 2021 Oct 14; Vol. 16 (10), pp. e0258429. Date of Electronic Publication: 2021 Oct 14 (Print Publication: 2021).
DOI: 10.1371/journal.pone.0258429
Abstrakt: Static light scattering is a popular physical chemistry technique that enables calculation of physical attributes such as the radius of gyration and the second virial coefficient for a macromolecule (e.g., a polymer or a protein) in solution. The second virial coefficient is a physical quantity that characterizes the magnitude and sign of pairwise interactions between particles, and hence is related to aggregation propensity, a property of considerable scientific and practical interest. Estimating the second virial coefficient from experimental data is challenging due both to the degree of precision required and the complexity of the error structure involved. In contrast to conventional approaches based on heuristic ordinary least squares estimates, Bayesian inference for the second virial coefficient allows explicit modeling of error processes, incorporation of prior information, and the ability to directly test competing physical models. Here, we introduce a fully Bayesian model for static light scattering experiments on small-particle systems, with joint inference for concentration, index of refraction, oligomer size, and the second virial coefficient. We apply our proposed model to study the aggregation behavior of hen egg-white lysozyme and human γS-crystallin using in-house experimental data. Based on these observations, we also perform a simulation study on the primary drivers of uncertainty in this family of experiments, showing in particular the potential for improved monitoring and control of concentration to aid inference.
Competing Interests: The authors have declared that no competing interests exist.
Databáze: MEDLINE
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