In this work, we develop a fully Bayesian method for the calculation of probability distributions of single-exponential rates for any single-molecule process. These distributions can even be derived when no transitions from one state to another have been observed, since in that case the data can be used to estimate a lower bound on the rate. Using a Bayesian hypothesis test, one can easily test whether a transition occurs at the same rate or at different rates in two data sets. We illustrate these methods with molecular dynamics simulations of the folding of a beta-sheet protein. However, the theory presented here can be used on any data from simulation or experiment for which a two-state description is appropriate.
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http://dx.doi.org/10.1021/jp903107c | DOI Listing |
Clin Neurophysiol
April 2023
Clinical Neurophysiology, Technical Medical Centre, Faculty of Science and Technology, University of Twente, Hallenweg 15, 7522NB, Enschede, the Netherlands.
Objective: We aim to provide a quantitative description of the relation between seizure duration and the postictal state using features extracted from the postictal electroencephalogram (EEG).
Methods: Thirty patients with major depressive disorder treated with electroconvulsive therapy (ECT) were studied with continuous EEG before, during, and after ECT-induced seizures. EEG recovery was quantified as the spectral difference between postictal and baseline EEG using the temporal brain symmetry index (BSI).
Phys Rev E
December 2019
Biomedical Engineering Department and Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794-5281, USA.
In this article, we develop a Bayesian approach to estimate parameters from time traces that originate from an overdamped Brownian particle in a harmonic potential, or Ornstein-Uhlenbeck process (OU). We show that least-square fitting the autocorrelation function, which is often the standard way of analyzing such data, is significantly underestimating the confidence intervals of the fitted parameters. Here, we develop a rigorous maximum likelihood theory that properly captures the underlying statistics.
View Article and Find Full Text PDFPart Fibre Toxicol
March 2018
Centre for Environment and Health, Department of Public Health and Primary Care, KU Leuven, Herestraat 49, O&N 1, box 706, 3000, Leuven, Belgium.
Background: Carbon load in airway macrophages (AM) has been proposed as an internal marker to assess long-term exposure to combustion-derived pollutant particles. However, it is not known how this biomarker is affected by changes in exposure. We studied the clearance kinetics of black carbon (BC) in AM, obtained by sputum induction, in a one-year panel study.
View Article and Find Full Text PDFJ Phys Chem B
April 2017
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520, United States.
A one-dimensional diffusion equation is derived for the time evolution of the orientational factor, κ, in the Förster energy transfer rate. The κ-dependent diffusion coefficient is obtained in three different ways: (1) by requiring the κ autocorrelation function, calculated using the κ diffusion equation, to be single-exponential with the exact characteristic time; (2) by projecting the multidimensional diffusion equation for the transition dipoles onto κ using the local equilibrium approximation; and (3) by requiring exact and approximate κ trajectories to be as close as possible using a Bayesian approach. Within the framework of this simple theory, the distance dependence of the fluorescence resonance energy transfer (FRET) efficiency can be calculated for all values of the ratio of the rotational correlation time of the transition dipoles to the lifetime of the donor excited state.
View Article and Find Full Text PDFJ Phys Chem B
September 2009
Department of Chemistry, Stanford University, Stanford, California 94305, USA.
In this work, we develop a fully Bayesian method for the calculation of probability distributions of single-exponential rates for any single-molecule process. These distributions can even be derived when no transitions from one state to another have been observed, since in that case the data can be used to estimate a lower bound on the rate. Using a Bayesian hypothesis test, one can easily test whether a transition occurs at the same rate or at different rates in two data sets.
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