Results 261 to 270 of about 508,394 (292)
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A chemical reaction network model of PURE
2023AbstractCell-free expression systems provide a method for rapid DNA circuit prototyping and functional protein synthesis. While crude extracts remain a black box with many components carrying out unknown reactions, the PURE system contains only the required transcription and translation components for protein production.
Zoila Jurado +2 more
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Biochemical Reaction Network Modeling: Predicting Metabolism of Organic Chemical Mixtures
Environmental Science & Technology, 2005All organisms are exposed to multiple xenobiotics, through food, environmental contamination, and drugs. These xenobiotics often undergo biotransformation, a complex process that plays a critical role in xenobiotic elimination or bioactivation to toxic metabolites.
Arthur N, Mayeno +2 more
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Cholesterol photo-oxidation: A chemical reaction network for kinetic modeling
Steroids, 2016In this work we studied the effect of polyunsaturated fatty acids (PUFAs) methyl esters on cholesterol photo-induced oxidation. The oxidative routes were modeled with a chemical reaction network (CRN), which represents the first application of CRN to the oxidative degradation of a food-related lipid matrix.
C. Barnaba +4 more
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Inference of Chemical Reaction Networks Using Hybrid S-system Models
Chemical Product and Process Modeling, 2007This article demonstrates, using simulations, the potential of the S-system formalism for the inference of unknown chemical reaction networks from simple experimental data, such as that typically obtained from laboratory scale reaction vessels. Virtually no prior knowledge of the products and reactants is assumed.
Dominic P Searson +3 more
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The differentiable manifold model of quantum-chemical reaction networks
International Journal of Quantum Chemistry, 2009The methods of general and differential topology (topology ≈ “rubber geometry”) are particularly suitable for the quantum-mechanical description of nonrigid molecular systems. The concept of nuclear configuration space 3NR is replaced by a metric space M and subsequently by a topological space (M, TC) where points of nuclear geometries, as fundamental ...
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Hawkes Process Modelling for Chemical Reaction Networks in a Random Environment
SIAM Journal on Applied Dynamical SystemszbMATH Open Web Interface contents unavailable due to conflicting licenses.
Mark Sinzger-D’Angelo +2 more
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Dynamic Modeling of Chemical Reaction Systems with Neural Networks and Hybrid Models
Chemical Engineering & Technology, 1999A common problem in kinetic modeling of complex chemical reactions is that a rigorous description of the reaction system, e.g., based on elementary reactions, is not possible. This is because either the reaction involves too many reactions and intermediates or the reaction mechanism is not known in sufficient detail. Alternative data-driven modeling, e.
Hans-Jörg Zander +2 more
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Evolution of Autocatalytic Sets in Computational Models of Chemical Reaction Networks
Origins of Life and Evolution of Biospheres, 2015Several computational models of chemical reaction networks have been presented in the literature in the past, showing the appearance and (potential) evolution of autocatalytic sets. However, the notion of autocatalytic sets has been defined differently in different modeling contexts, each one having some shortcoming or limitation.
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P System Models of Bistable, Enzyme Driven Chemical Reaction Networks
2007In certain classes of chemical reaction networks (CRN), there may be two stable states. The challenge is to find a model of the CRN such that the stability properties can be predicted. In this paper we consider the problem of building a P-system designed to simulate the CRN in an attempt to determine if the CRN is stable or bistable.
Stanley Dunn, Peter Stivers
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Model reduction in bio-chemical reaction networks with Michaelis-Menten kinetics
2013 European Control Conference (ECC), 2013In this paper, a model reduction procedure is proposed for the simplification of biochemical reaction network models. The approach is capable of reducing ODE models where the right hand side of the equations contains polynomial and/or rational function terms.
Katalin M. Hangos +2 more
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