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A branching model for intergenerational telomere length dynamics.
J Math Biol
January 2025
Institut universitaire de France (IUF), Paris, France.
We build and study an individual based model of the telomere length's evolution in a population across multiple generations. This model is a continuous time typed branching process, where the type of an individual includes its gamete mean telomere length and its age. We study its Malthusian's behaviour and provide numerical simulations to understand the influence of biologically relevant parameters.
View Article and Find Full Text PDFSpin-Orbit Coupling and Admixture Coefficients in SA-CASSCF and MS-CASPT2, and Triplet Excitation Yield Simulated via Trajectory Surface Hopping and Calibrated SA-CASSCF in 1,2-Dioxetane Derivatives.
J Phys Chem A
January 2025
Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
The energy gaps, spin-orbit coupling (SOC), and admixture coefficients over a series of the configurations are evaluated by the SA-CASSCF/6-31G, SA-CASSCF/6-31G*, SA-CASSCF/ANO-RCC-VDZP, and MS-CASPT2/ANO-RCC-VDZP to reveal the extent of the inaccuracy of the SA-CASSCF. By comparing the mean absolute errors for the energy gaps and the admixture coefficient magnitudes (ACMs) measured between the SA-CASSCF/6-31G, SA-CASSCF/6-31G*, or SA-CASSCF/ANO-RCC-VDZP and the MS-CASPT2/ANO-RCC-VDZP, the SA-CASSCF/6-31G is selected as the electronic structure method in the nonadiabatic molecular dynamics simulation. The major components of the ACMs of the SA-CASSCF/6-31G and MS-CASPT2/ANO-RCC-VDZP are identified and compared; we find that the ACMs are underestimated by the SA-CASSCF/6-31G, which is verified by the reasonable triplet quantum yield simulated by the trajectory surface hopping and the calibrated SA-CASSCF/6-31G.
View Article and Find Full Text PDFHow SNARE proteins generate force to fuse membranes.
Biophys J
January 2025
Department of Chemical Engineering, Columbia University, New York, NY 10027. Electronic address:
Membrane fusion is central to fundamental cellular processes such as exocytosis, when an intracellular machinery fuses membrane-enclosed vesicles to the plasma membrane for contents release. The core machinery components are the SNARE proteins. SNARE complexation pulls the membranes together, but the fusion mechanism remains unclear.
View Article and Find Full Text PDFTotal population for a resource-limited single consumer model.
J Math Biol
January 2025
Department of Integrative Biology, Oklahoma State University, Stillwater, OK, 74078, USA.
In the past several decades, much attention has been focused on the effects of dispersal on total populations of species. In Zhang (EL 20:1118-1128, 2017), a rigorous biological experiment was performed to confirm the mathematical conclusion: Dispersal tends to enhance populations under a suitable hypothesis. In addition, mathematical models keeping track of resource dynamics in population growth were also proposed in Zhang (EL 20:1118-1128, 2017) to understand this remarkable phenomenon.
View Article and Find Full Text PDFAutomated mechanical ventilator design and analysis using neural network.
Sci Rep
January 2025
School of Computing, SASTRA Deemed University, Thanjavur, Tamil Nadu, India.
Mechanical ventilation is the process through which breathing support is provided to patients who face inconvenience during respiration. During the pandemic, many people were suffering from lung disorders, which elevated the demand for mechanical ventilators. The handling of mechanical ventilators is to be done under the assistance of trained professionals and demands the selection of ideal parameters.
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