In this work, we explore the connections between parameter fitting and statistical thermodynamics using the maxent principle of Jaynes as a starting point. In particular, we show how signal averaging may be described by a suitable one particle partition function, modified for the case of a variable number of particles. These modifications lead to an entropy that is extensive in the number of measurements in the average. Systematic error may be interpreted as a departure from ideal gas behavior. In addition, we show how to combine measurements from different experiments in an unbiased way in order to maximize the entropy of simultaneous parameter fitting. We suggest that fit parameters may be interpreted as generalized coordinates and the forces conjugate to them may be derived from the system partition function. From this perspective, the parameter fitting problem may be interpreted as a process where the system (spectrum) does work against internal stresses (non-optimum model parameters) to achieve a state of minimum free energy/maximum entropy. Finally, we show how the distribution function allows us to define a geometry on parameter space, building on previous work[1, 2]. This geometry has implications for error estimation and we outline a program for incorporating these geometrical insights into an automated parameter fitting algorithm.
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http://dx.doi.org/10.1063/1.3573638 | DOI Listing |
Front Microbiol
December 2024
Oniris VetAgroBio, INRAE, SECALIM, Nantes, France.
Our study aims to assess the thermal inactivation of non-proteolytic type B spores in a plant-based fish and to evaluate the potential of alternative heat treatments at temperatures below the safe harbor guidelines established for vacuum-packed chilled products of extended durability. First, the heat resistance of the spore suspension was determined using capillary tubes in potassium phosphate buffer at 80°C. The D value was estimated to be 0.
View Article and Find Full Text PDFInt J Biol Macromol
December 2024
Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019 Monastir, Tunisia.
In this study, the olfactory threshold concentration was introduced in the statistical physics approach to provide fruitful and deep discussions. Indeed, a modified mono-layer mono-energy model established using statistical physics theory was successfully used to theoretically study the adsorption involved in the olfactory response of (R)-(-)-carvone and (S)-(+)-carvone key food odorants (KFOs) on cow (Bos taurus) olfactory receptor btOR1A1 through the analysis of the different model physicochemical parameters. Thus, stereographic results indicated that the two carvone enantiomers were non-parallelly docked on btOR1A1 binding sites during the adsorption process since the different values of n were superior to 1.
View Article and Find Full Text PDFInt J Biol Macromol
December 2024
College of Biological Engineering, Sichuan University of Science & Engineering, Zigong 643000, China.
Heavy metal ions, are non-biodegradable, high toxic tendency, and have serious hazardous effects on the health of humans. Then, removing them from the environment using different techniques is necessary. Several routes are expensive, low-efficient, and require a long time to achieve adsorption equilibrium.
View Article and Find Full Text PDFACS Omega
December 2024
Department of Chemical Engineering, Lakehead University, 955 Oliver Road, Thunder Bay, ON P7B 5E1, Canada.
This study tested the accuracy and thermodynamic consistency of four CEoS/α-function models. The objective was to find the most suitable CEoS/α-function combo for producing accurate and consistent physical and derivative properties for nonpolar, polar and hydrogen bonding components at subcritical conditions. The models tested were PR-Twu, PR-Soave, RK-Twu, and RK-Soave.
View Article and Find Full Text PDFMed Image Anal
November 2024
Department of Radiology and Nuclear Medicine, St. Olav's University Hospital, Trondheim, Norway; Department of Circulation and Medical Imaging, NTNU - Norwegian University of Science and Technology, Trondheim, Norway.
In medical image analysis, the utilization of biophysical models for signal analysis offers valuable insights into the underlying tissue types and microstructural processes. In diffusion-weighted magnetic resonance imaging (DWI), a major challenge lies in accurately estimating model parameters from the acquired data due to the inherently low signal-to-noise ratio (SNR) of the signal measurements and the complexity of solving the ill-posed inverse problem. Conventional model fitting approaches treat individual voxels as independent.
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