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Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis

The present study introduces a unified framework combining a mechanistic model with a genetic algorithm (GA) for the parameter estimation of electrochemiluminescence (ECL) kinetics of the Ru(bpy)(3) (2+)/TPrA system occurring in a smartphone‐based sensor. The framework allows a straightforward solut...

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Autores principales: Rivera, Elmer Ccopa, Summerscales, Rodney L., Tadi Uppala, Padma P., Kwon, Hyun J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7435146/
https://www.ncbi.nlm.nih.gov/pubmed/32832344
http://dx.doi.org/10.1002/open.202000165
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author Rivera, Elmer Ccopa
Summerscales, Rodney L.
Tadi Uppala, Padma P.
Kwon, Hyun J.
author_facet Rivera, Elmer Ccopa
Summerscales, Rodney L.
Tadi Uppala, Padma P.
Kwon, Hyun J.
author_sort Rivera, Elmer Ccopa
collection PubMed
description The present study introduces a unified framework combining a mechanistic model with a genetic algorithm (GA) for the parameter estimation of electrochemiluminescence (ECL) kinetics of the Ru(bpy)(3) (2+)/TPrA system occurring in a smartphone‐based sensor. The framework allows a straightforward solution for simultaneous estimation of multiple parameters which can be, otherwise, time‐consuming and lead to non‐convergence. Model parameters are estimated by achieving a high correlation between the model prediction and the measured ECL intensity from the ECL sensor. The developed model is used to perform a sensitivity analysis (SA), which provides quantitative effects of the model parameters on the concentrations of chemical species involved in the system. The results demonstrate that the GA‐based parameter estimation and the SA approaches are effective in analyzing the kinetics of the ECL mechanism. Therefore, these approaches can be incorporated as analysis tools in the ECL kinetics study with practical application in the calibration of mechanistic models for any required sensing condition.
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spelling pubmed-74351462020-08-20 Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis Rivera, Elmer Ccopa Summerscales, Rodney L. Tadi Uppala, Padma P. Kwon, Hyun J. ChemistryOpen Full Papers The present study introduces a unified framework combining a mechanistic model with a genetic algorithm (GA) for the parameter estimation of electrochemiluminescence (ECL) kinetics of the Ru(bpy)(3) (2+)/TPrA system occurring in a smartphone‐based sensor. The framework allows a straightforward solution for simultaneous estimation of multiple parameters which can be, otherwise, time‐consuming and lead to non‐convergence. Model parameters are estimated by achieving a high correlation between the model prediction and the measured ECL intensity from the ECL sensor. The developed model is used to perform a sensitivity analysis (SA), which provides quantitative effects of the model parameters on the concentrations of chemical species involved in the system. The results demonstrate that the GA‐based parameter estimation and the SA approaches are effective in analyzing the kinetics of the ECL mechanism. Therefore, these approaches can be incorporated as analysis tools in the ECL kinetics study with practical application in the calibration of mechanistic models for any required sensing condition. John Wiley and Sons Inc. 2020-08-19 /pmc/articles/PMC7435146/ /pubmed/32832344 http://dx.doi.org/10.1002/open.202000165 Text en © 2020 The Authors. Published by Wiley-VCH GmbH This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Full Papers
Rivera, Elmer Ccopa
Summerscales, Rodney L.
Tadi Uppala, Padma P.
Kwon, Hyun J.
Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis
title Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis
title_full Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis
title_fullStr Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis
title_full_unstemmed Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis
title_short Electrochemiluminescence Mechanisms Investigated with Smartphone‐Based Sensor Data Modeling, Parameter Estimation and Sensitivity Analysis
title_sort electrochemiluminescence mechanisms investigated with smartphone‐based sensor data modeling, parameter estimation and sensitivity analysis
topic Full Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7435146/
https://www.ncbi.nlm.nih.gov/pubmed/32832344
http://dx.doi.org/10.1002/open.202000165
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