Background: Stochastic biochemical reaction networks are commonly modelled by the chemical master equation, and can be simulated as first order linear differential equations through a finite state projection. Due to the very high state space dimension of these equations, numerical simulations are computationally expensive. This is a particular problem for analysis tasks requiring repeated simulations for different parameter values. Such tasks are computationally expensive to the point of infeasibility with the chemical master equation.
Results: In this article, we apply parametric model order reduction techniques in order to construct accurate low-dimensional parametric models of the chemical master equation. These surrogate models can be used in various parametric analysis task such as identifiability analysis, parameter estimation, or sensitivity analysis. As biological examples, we consider two models for gene regulation networks, a bistable switch and a network displaying stochastic oscillations.
Conclusions: The results show that the parametric model reduction yields efficient models of stochastic biochemical reaction networks, and that these models can be useful for systems biology applications involving parametric analysis problems such as parameter exploration, optimization, estimation or sensitivity analysis.
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http://dx.doi.org/10.1186/1752-0509-6-81 | DOI Listing |
Soft Matter
January 2025
Department of Chemical & Biomolecular Engineering, University of Houston, Houston, TX 77204, USA.
Microrheology has become an indispensable tool for measuring the dynamics of macromolecular systems. Yet, its ability to characterize polymer dynamics across spatiotemporal scales, which vary among polymers and concentration regimes, is limited by the selection of probe morphologies and sizes. Here, we introduce semiflexible M13 phage as a powerful microrheological probe able to circumvent these constraints to robustly capture the dynamics of polymeric solutions across decades of concentrations, sizes, and ionic conditions.
View Article and Find Full Text PDFAnal Chim Acta
February 2025
Department of Pharmacy, College of Pharmaceutical Sciences, National Yang Ming Chiao Tung University, Taipei, Taiwan. Electronic address:
Background: Chemical derivatization is a common technique in liquid chromatography-mass spectrometry (LC-MS) metabolomics used to improve the ionizability and chromatographic properties of metabolites in complex biological samples. This process facilitates better detection and separation of a wide array of compounds. The reagent 2-(4-boronobenzyl) isoquinolin-2-ium bromide (BBII), developed as a glucose labeling reagent for matrix-assisted laser desorption/ionization MS, enhances ionization for glucose and other hydroxyl metabolites.
View Article and Find Full Text PDFMaterials (Basel)
December 2024
Department of Mechatronic Engineering, Guangdong Polytechnic Normal University, Guangzhou 510665, China.
Polymers (Basel)
January 2025
Sustainable Polymer & Innovative Composite Materials Research Group, Department of Chemistry, Faculty of Science, King Mongkut's University of Technology Thonburi, Bangkok 10140, Thailand.
This study investigates the synergistic effects of incorporating modified zinc oxide-silica (ZnO-SiO) into tire waste (TW) and epoxidized natural rubber (ENR) blends, with a focus on crosslinking dynamics, mechanical reinforcement, and antibacterial activity. The addition of ZnO-SiO significantly enhanced crosslink density, as evidenced by increased torque and accelerated cure rates. An optimal concentration of 10 phr was found to yield the highest performance.
View Article and Find Full Text PDFMolecules
December 2024
Biochar Engineering & Technology Research Center of Liaoning Province, College of Agronomy, Shenyang Agricultural University, Shenyang 110866, China.
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