Results 61 to 70 of about 666,094 (196)
PLoS Computational Biology, 2022 Prior work on abiogenesis, the emergence of life from non-life, suggests that it requires chemical reaction networks that contain self-amplifying motifs, namely, autocatalytic cores.
Zhen Peng, Jeff Linderoth, David A Baum
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Stochastic thermodynamics of chemical reaction networks [PDF]
The Journal of Chemical Physics, 2007 For chemical reaction networks in a dilute solution described by a master equation, the authors define energy and entropy on a stochastic trajectory and develop a consistent nonequilibrium thermodynamic description along a single stochastic trajectory of reaction events.
Schmiedl, Tim, Seifert, Udo
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Information geometric inequalities of chemical thermodynamics
Physical Review Research, 2021 We study a connection between chemical thermodynamics and information geometry. We clarify a relation between the Gibbs free energy of an ideal dilute solution and an information geometric quantity called an f divergence.
Kohei Yoshimura, Sosuke Ito
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Determining Interconnections in Chemical Reaction Networks [PDF]
2007 American Control Conference, 2007 We present a methodology for robust determination of chemical reaction network interconnections. Given time series data that are collected from experiments and taking into account the measurement error, we minimize the 1-norm of the decision variables (reaction rates) keeping the data in close Euler-flt with a general model structure based on mass ...
Papachristodoulou, A, Recht, B, IEEE
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Dissipation-driven selection of states in non-equilibrium chemical networks
Communications Chemistry, 2021 Recent works have highlighted the role of energy sources in driving nonequilibrium behaviours in chemical reaction networks. Here, the authors theoretically describe linear reaction networks with thermal gradients to highlight the basic rules governing ...
Daniel Maria Busiello +3 more
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Linear conjugacy of chemical reaction networks [PDF]
Journal of Mathematical Chemistry, 2011 26 ...
Johnston, Matthew D., Siegel, David
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Context-Driven Exploration of Complex Chemical Reaction Networks. [PDF]
Journal of Chemical Theory and Computation, 2017 The construction of a reaction network containing all relevant intermediates and elementary reactions is necessary for the accurate description of chemical processes.
G. Simm, M. Reiher
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Networking chemical robots for reaction multitasking [PDF]
Nature Communications, 2018 Abstract The development of the internet of things has led to an explosion in the number of networked devices capable of control and computing. However, whilst common place in remote sensing, these approaches have not impacted chemistry due to difficulty in developing systems flexible enough for experimental data collection. Herein we
Dario Caramelli +6 more
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Uncertainty-aware prediction of chemical reaction yields with graph neural networks
Journal of Cheminformatics, 2022 In this paper, we present a data-driven method for the uncertainty-aware prediction of chemical reaction yields. The reactants and products in a chemical reaction are represented as a set of molecular graphs.
Youngchun Kwon +3 more
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A Theoretical Framework for Implementable Nucleic Acids Feedback Systems
Bioengineering, 2023 Chemical reaction networks can be utilised as basic components for nucleic acid feedback control systems’ design for Synthetic Biology application. DNA hybridisation and programmed strand-displacement reactions are effective primitives for implementation.
Nuno M. G. Paulino +4 more
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