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Related Concept Videos

Reaction Mechanisms: The Steady-State Approximation01:26

Reaction Mechanisms: The Steady-State Approximation

The steady-state approximation, also referred to as the quasi-steady-state approximation to differentiate it from a true steady state, is a widely used method for simplifying calculations in complex reaction mechanisms. This approach is particularly useful when dealing with multi-step reactions that involve reverse reactions or several steps, which can significantly increase mathematical complexity and make the reactions nearly unsolvable analytically.The steady-state approximation operates on...
Reaction Mechanisms: Rate-limiting Step Approximation01:29

Reaction Mechanisms: Rate-limiting Step Approximation

The rate-determining step, or RDS, in a chemical reaction is the slowest step that determines the overall reaction rate. It is identified by using the observed rate law and typically involves approximation methods like the RDS approximation or the steady-state approximation.In the RDS approximation, also known as the rate-limiting-step or equilibrium approximation, the reaction mechanism consists of one or more reversible reactions near equilibrium, followed by a slower RDS, and then one or...
Fast Reactions01:27

Fast Reactions

Fast reactions occurring in times shorter than the time needed to mix reactants pose a unique challenge for investigation. In a liquid-phase continuous-flow system, reactants A and B are swiftly pushed into the mixing chamber, where mixing occurs within 1 ms. The reaction mixture then flows through an observation tube, and one measures light absorption to determine species concentrations at various points of the tube. This method is most appropriate when relatively large volumes of reactants...
Multi-Step Reactions02:31

Multi-Step Reactions

Chemical reactions often occur in a stepwise fashion involving two or more distinct reactions taking place in a sequence. A balanced equation indicates the reacting species and the product species, but it reveals no details about how the reaction occurs at the molecular level. The reaction mechanism (or reaction path) provides details regarding the precise, step-by-step process by which a reaction occurs. Each of the steps in a reaction mechanism is called an elementary reaction. These...
Standard Entropy Change for a Reaction03:00

Standard Entropy Change for a Reaction

Entropy is a state function, so the standard entropy change for a chemical reaction (ΔS°rxn) can be calculated from the difference in standard entropy between the products and the reactants.
Transition State Theory01:25

Transition State Theory

Transition-state theory, also known as activated-complex theory, provides a molecular-level explanation of reaction rates in both gas-phase and solution-phase reactions. It extends earlier kinetic models by considering the formation of a short-lived, high-energy configuration during a reaction.The progress of a chemical reaction can be represented using a reaction profile, which plots potential energy against the reaction coordinate. As two reactant molecules approach one another, their...

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Plasmid-derived DNA Strand Displacement Gates for Implementing Chemical Reaction Networks
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Plasmid-derived DNA Strand Displacement Gates for Implementing Chemical Reaction Networks

Published on: November 25, 2015

A moment closure method for stochastic reaction networks.

Chang Hyeong Lee1, Kyeong-Hun Kim, Pilwon Kim

  • 1Department of Mathematical Sciences, Worcester Polytechnic Institute, 100 Institute Road, Worcester, Massachusetts 01609, USA. changlee@wpi.edu

The Journal of Chemical Physics
|April 10, 2009
PubMed
Summary

This study introduces a moment closure method for analyzing stochastic chemical reaction networks. The approach accurately approximates means and central moments, offering an efficient alternative to traditional simulation algorithms.

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Plasmid-derived DNA Strand Displacement Gates for Implementing Chemical Reaction Networks
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Area of Science:

  • Biochemical Engineering
  • Chemical Kinetics
  • Computational Biology

Background:

  • Stochastic modeling is crucial for understanding chemical and biochemical reaction networks.
  • Accurate approximation of moments (means, covariances) is essential for predicting system dynamics.
  • Existing methods like stochastic simulation algorithms can be computationally intensive.

Purpose of the Study:

  • To develop a novel moment closure method for stochastically modeled reaction networks.
  • To derive and approximate differential equations for means and central moments.
  • To provide an efficient and accurate alternative to stochastic simulation.

Main Methods:

  • Derivation of a system of differential equations from the chemical master equation.
  • Truncation of central moment equations using Taylor approximation.
  • Recursive formulation for explicit representations of means and covariances.
  • Estimation of approximation errors for means and central moments.
  • Solving truncated algebraic equations for equilibrium moments.

Main Results:

  • Accurate and efficient numerical solutions for means and central moments.
  • Explicit recursive formulas for higher-order moments.
  • Reliable estimation of approximation errors.
  • Accurate determination of equilibrium moments.
  • Validation against stochastic simulation algorithms demonstrating high accuracy.

Conclusions:

  • The moment closure method provides an accurate and efficient approach for analyzing stochastic reaction networks.
  • The derived recursive formulas facilitate the computation of various moments.
  • This method offers a valuable alternative to computationally expensive simulation techniques.