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Bayesian analysis of static light scattering data for globular proteins

Yin, Fan ; Khago, Domarin ; Martin, Rachel W ; Butts, Carter T Ortore, Maria Grazia

PloS one, 2021-10, Vol.16 (10), p.e0258429-e0258429 [Periódico revisado por pares]

United States: Public Library of Science

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Título:
Bayesian analysis of static light scattering data for globular proteins
Autor: Yin, Fan ; Khago, Domarin ; Martin, Rachel W ; Butts, Carter T
Ortore, Maria Grazia
Assuntos: Agglomeration ; Aggregation behavior ; Analysis ; Animals ; Bayes Theorem ; Bayesian analysis ; Bayesian statistical decision theory ; Biology and Life Sciences ; Chickens ; Crystallin ; Data analysis ; Dynamic Light Scattering ; Evaluation ; Experimental data ; Experiments ; gamma-Crystallins - chemistry ; gamma-Crystallins - metabolism ; Humans ; Hydrogen-Ion Concentration ; Laboratories ; Light ; Light scattering ; Lysozyme ; Mathematical models ; Medical research ; Medicine and Health Sciences ; Modelling ; Models, Molecular ; Molecular weight ; Muramidase - chemistry ; Muramidase - metabolism ; Physical chemistry ; Physical Sciences ; Polymers ; Protein Aggregates ; Proteins ; Refractivity ; Research and Analysis Methods ; Sodium Chloride - chemistry ; Statistical inference ; Virial coefficients
É parte de: PloS one, 2021-10, Vol.16 (10), p.e0258429-e0258429
Notas: ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
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Competing Interests: The authors have declared that no competing interests exist.
Descrição: 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.
Editor: United States: Public Library of Science
Idioma: Inglês

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Bayesian analysis of static light scattering data for globular proteins

Yin, Fan ; Khago, Domarin ; Martin, Rachel W ; Butts, Carter T Ortore, Maria Grazia

United States: Public Library of Science

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