scholarly journals Digitalization of Reaction Engineering - An Automated Computational Approach to Kinetic Model Discrimination and Parameter Estimation

2021 ◽  
Author(s):  
Connor Jack Taylor ◽  
Hikaru Seki ◽  
Friederike M. Dannheim ◽  
Mark J. Willis ◽  
Graeme Clemens ◽  
...  
Keyword(s):  
Parameter Estimation ◽  
Kinetic Model ◽  
Chemical Reaction ◽  
Reaction Network ◽  
Computational Approach ◽  
Reaction Engineering ◽  
Chemical Reaction Network ◽  
Model Discrimination

We herein report experimental applications of a novel, automated computational approach to chemical reaction network (CRN) identification. This report shows the first chemical applications of an autonomous tool to identify...

Synthesis and Breakdown of the Universal Precursors to Biological Metabolism Promoted by Ferrous Iron

2018 ◽  
Author(s):  
Kamila B. Muchowska ◽  
Sreejith Jayasree VARMA ◽  
Joseph Moran
Keyword(s):  
Amino Acids ◽  
Chemical Reaction ◽  
Metabolic Pathways ◽  
Ferrous Iron ◽  
Reaction Network ◽  
Tca Cycle ◽  
Chemical Reaction Network ◽  
Metabolic Precursors ◽  
Tca Cycle Intermediates

How core biological metabolism initiated and why it uses the intermediates, reactions and pathways that it does remains unclear. Life builds its molecules from CO<sub>2 </sub>and breaks them down to CO<sub>2 </sub>again through the intermediacy of just five metabolites that act as the hubs of biochemistry. Here, we describe a purely chemical reaction network promoted by Fe<sup>2+ </sup>in which aqueous pyruvate and glyoxylate, two products of abiotic CO<sub>2 </sub>reduction, build up nine of the eleven TCA cycle intermediates, including all five universal metabolic precursors. The intermediates simultaneously break down to CO<sub>2 </sub>in a life-like regime resembling biological anabolism and catabolism. Introduction of hydroxylamine and Fe<sup>0 </sup>produces four biological amino acids. The network significantly overlaps the TCA/rTCA and glyoxylate cycles and may represent a prebiotic precursor to these core metabolic pathways.

IDENTIFYING CHEMICAL REACTION NETWORK MODELS

2007 ◽  
Vol 40 (5) ◽  
pp. 225-230 ◽  
Author(s):  
S.C. Burnham ◽  
M.J. Willis ◽  
A.R Wright
Keyword(s):  
Chemical Reaction ◽  
Reaction Network ◽  
Network Models ◽  
Chemical Reaction Network

scholarly journals Artificial chemical reaction network of molecular automata.

2001 ◽  
Vol 41 (supplement) ◽  
pp. S73
Author(s):  
T. Ushikubo ◽  
M. Sasai
Keyword(s):  
Chemical Reaction ◽  
Reaction Network ◽  
Chemical Reaction Network

scholarly journals Yield prediction in parallel homogeneous assembly

Soft Matter ◽  
2017 ◽  
Vol 13 (41) ◽  
pp. 7595-7608 ◽  
Author(s):  
Dhananjay Ipparthi ◽  
Andrew Winslow ◽  
Metin Sitti ◽  
Marco Dorigo ◽  
Massimo Mastrangeli
Keyword(s):  
Chemical Reaction ◽  
Reaction Network ◽  
Chemical Reaction Network ◽  
Yield Prediction ◽  
Parallel Assembly

The parallel assembly of 2D target structures from homogeneous macroscopic components is studied experimentally and through a chemical reaction network-based model, highlighting the incompatible substructures problem.

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