Autonomous Soft Robots Empowered by Chemical Reaction Networks
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202209870
Abstract: Hydrogel actuators are important for designing stimuli‐sensitive soft robots. They generate mechanical motion by exploiting compartmentalized (de)swelling in response to a stimulus. However, classical switching methods, such as manually lowering or increasing the pH, cannot… read more here.
Keywords: robots empowered; empowered chemical; chemical reaction; autonomous soft ... See more keywords
Recasting the mass-action rate equations of open chemical reaction networks into a universal quadratic format
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Mathematical Chemistry"
DOI: 10.1007/s10910-019-01005-4
Abstract: Recasting the rate equations of mass-action chemical kinetics into universal formats is a potentially useful strategy to rationalize typical features that are observed in the space of the species concentrations. For example, a remarkable feature… read more here.
Keywords: mass action; reaction networks; open chemical; chemical reaction ... See more keywords
Approximation of delayed chemical reaction networks
Sign Up to like & getrecommendations! Published in 2018 at "Reaction Kinetics, Mechanisms and Catalysis"
DOI: 10.1007/s11144-017-1341-5
Abstract: Chemical reaction networks with arbitrary constant delays assigned to the reactions are studied in this paper. The delayed models are approximated using the chain method known from the theory of differential equations. It is shown… read more here.
Keywords: approximation delayed; reaction networks; reaction; chemical reaction ... See more keywords
Multistationarity and Bistability for Fewnomial Chemical Reaction Networks
Sign Up to like & getrecommendations! Published in 2019 at "Bulletin of Mathematical Biology"
DOI: 10.1007/s11538-018-00555-z
Abstract: Bistability and multistationarity are properties of reaction networks linked to switch-like responses and connected to cell memory and cell decision making. Determining whether and when a network exhibits bistability is a hard and open mathematical… read more here.
Keywords: reaction networks; multistationarity; reaction; chemical reaction ... See more keywords
Reduction of lumped reaction networks based on global sensitivity analysis
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2019.121920
Abstract: Abstract In case of complex chemical systems in that many reactions occur between high numbers of species, it is often necessary to use some form of lumping in order to obtain a simpler kinetic model… read more here.
Keywords: reaction networks; reaction; lumped reaction; global sensitivity ... See more keywords
Maximum Entropy Prediction of Non-Equilibrium Stationary Distributions for Stochastic Reaction Networks with Oscillatory Dynamics.
Sign Up to like & getrecommendations! Published in 2017 at "Chemical engineering science"
DOI: 10.1016/j.ces.2017.05.029
Abstract: Many chemical reaction networks in biological systems present complex oscillatory dynamics. In systems such as regulatory gene networks, cell cycle, and enzymatic processes, the number of molecules involved is often far from the thermodynamic limit.… read more here.
Keywords: reaction networks; maximum entropy; non equilibrium; equilibrium stationary ... See more keywords
Prevalence of deficiency-zero reaction networks in an Erdös–Rényi framework
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Applied Probability"
DOI: 10.1017/jpr.2021.65
Abstract: Reaction networks are commonly used within the mathematical biology and mathematical chemistry communities to model the dynamics of interacting species. These models differ from the typical graphs found in random graph theory since their vertices… read more here.
Keywords: erd nyi; reaction networks; reaction; networks erd ... See more keywords
Pathfinder—Navigating and Analyzing Chemical Reaction Networks with an Efficient Graph-Based Approach
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c01136
Abstract: While the field of first-principles explorations into chemical reaction space has been continuously growing, the development of strategies for analyzing resulting chemical reaction networks (CRNs) is lagging behind. A CRN consists of compounds linked by… read more here.
Keywords: compound; crn; reaction; chemical reaction ... See more keywords
Chemoton 2.0: Autonomous Exploration of Chemical Reaction Networks.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00193
Abstract: Fueled by advances in hardware and algorithm design, large-scale automated explorations of chemical reaction space have become possible. Here, we present our approach to an open-source, extensible framework for explorations of chemical reaction mechanisms based… read more here.
Keywords: reaction; chemical reaction; chemoton autonomous; exploration ... See more keywords
Context-Driven Exploration of Complex Chemical Reaction Networks.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00945
Abstract: The construction of a reaction network containing all relevant intermediates and elementary reactions is necessary for the accurate description of chemical processes. In the case of a complex chemical reaction (involving, for instance, many reactants… read more here.
Keywords: network; reaction networks; chemical; reaction ... See more keywords
Multisite Enzymes as a Mechanism for Bistability in Reaction Networks.
Sign Up to like & getrecommendations! Published in 2022 at "ACS synthetic biology"
DOI: 10.1021/acssynbio.1c00272
Abstract: Here, we focus on a common class of enzymes that have multiple substrate binding sites (multisite enzymes) and analyze their capacity to generate bistable dynamics in the reaction networks that they are embedded in. These… read more here.
Keywords: reaction networks; substrate; multisite enzymes; bistability reaction ... See more keywords