In two earlier papers, means were provided to decide the capacity of complex chemical reaction networks, taken with mass-action kinetics, to admit multiple equilibria in the context of the isothermal homogeneous continuous flow stirred tank reactor (CFSTR). In such a reactor, all species are deemed to be in the outflow, a fact which has an important bearing on the nature of the governing equations. In contrast, one can imagine CFSTR-like models of the cell in which certain large molecules (e.g., enzymes) remain entrapped within the cell, whereas smaller ones (e.g., metabolites) are free to diffuse through the cell boundary. Although such models bear a strong physical resemblance to the classical CFSTR picture, there are substantive differences in the corresponding mathematics. Without a presumption of mass-action kinetics, this research is intended to indicate a general way in which results about uniqueness of equilibria in the classical CFSTR context extend to entrapped species models.
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http://dx.doi.org/10.1049/ip-syb:20050093 | DOI Listing |
J Chem Inf Model
January 2025
Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616, United States.
It has been challenging to determine how a ligand that binds to a receptor activates downstream signaling pathways and to predict the strength of signaling. The challenge is compounded by functional selectivity, in which a single ligand binding to a single receptor can activate multiple signaling pathways at different levels. Spectroscopic studies show that in the largest class of cell surface receptors, 7 transmembrane receptors (7TMRs), activation is associated with ligand-induced shifts in the equilibria of intracellular pocket conformations in the absence of transducer proteins.
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January 2025
Department of Mathematics, National Institute of Technology Silchar, Silchar, Assam 788010, India.
This study introduces a five-compartment model to account for the impacts of vaccination-induced recovery and nonlinear treatment rates in settings with limited hospital capacity. To reflect real-world scenarios, the model incorporates multiple reinfections in both vaccinated and recovered groups. It reveals a range of dynamics, including a disease-free equilibrium and up to six endemic equilibria.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, Massachusetts Institute of Technology, 170 Albany Street, Cambridge, Massachusetts 02139, United States.
The tau protein misfolds in neurodegenerative diseases such as Alzheimer's disease (AD). These pathological tau aggregates are associated with neuronal membranes, but molecular structural information about how disease-like tau fibrils interact with the lipid membrane is scarce. Here, we use solid-state NMR to investigate the structure of a tau construct bearing four AD-relevant phospho-mimetic mutations (4E tau) with cholesterol-containing high-curvature lipid membranes, which mimic the membrane of synaptic vesicles in neurons.
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January 2025
David Braley Centre for Antibiotic Discovery, M.G. DeGroote Institute for Infectious Disease Research, Department of Biochemistry and Biomedical Sciences, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4K1, Canada.
Antibiotics are essential medicines threatened by the emergence of resistance in all relevant bacterial pathogens. The engagement of the molecular targets of antibiotics offers multiple opportunities for resistance to emerge. Successful target engagement often requires passage of the antibiotic from outside into the cell interior through one or two distinct membrane barriers.
View Article and Find Full Text PDFSci Rep
December 2024
School of Chemical Engineering, Iran University of Science and Technology (IUST), Tehran, Iran.
Benzene separation from hydrocarbon mixtures is a challenge in the refining and petrochemical industries. The application of liquid-liquid extraction process using ionic liquids (I.Ls) is an option for this separation.
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