NIR pre-selection data using modified changeable size moving window partial least squares and pure spectral chemometrical modeling with ant colony optimization for wheat flour characterization

Ranzan, Cassiano; Hitzmann, Bernd; Trierweiler, Jorge O.

doi:10.1016/j.chemolab.2015.01.007

Cited by 12 publications

(5 citation statements)

References 19 publications

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“…To test the performance of the SA‐2 algorithm, the SA‐1, GA, and other traditional variable selection methods such as uninformative variable elimination (UVE), particle swarm optimization (PSO), and ant colony optimization (ACO) were applied to PLS modeling of the 2 datasets . Each dataset is divided into a calibration set and a test set.…”

Section: Resultsmentioning

confidence: 99%

A heuristic and parallel simulated annealing algorithm for variable selection in near‐infrared spectroscopy analysis

Shi

Zhang

et al. 2016

Journal of Chemometrics

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A new heuristic and parallel simulated annealing algorithm was proposed for variable selection in near‐infrared spectroscopy analysis. The algorithm employs a parallel mechanism to enhance the search efficiency, a heuristic mechanism to generate high‐quality candidate solutions, and the concept of Metropolis criterion to estimate accuracy of the candidate solutions. Several near‐infrared datasets have been evaluated under the proposed new algorithm, with partial least squares leading to improved analytical figures of merit upon wavelength selection. Improved robust and predictive regression models were obtained by the new algorithm. The method could also be helpful in other chemometric activities such as classification or quantitative structure‐activity relationship problems.

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Section: Resultsmentioning

confidence: 99%

A heuristic and parallel simulated annealing algorithm for variable selection in near‐infrared spectroscopy analysis

Shi

Zhang

et al. 2016

Journal of Chemometrics

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“…Moving window (MW) is a simple and effective way to find the spectral informative features in a grid search optimization manner [ 32 , 33 ]. Combined with the classical PLS regression, MW manages to extract spectral features in the study of chemometric algorithmic optimization for NIR rapid analysis, leading to appreciate prediction effects [ 34 ].…”

Section: Methodsmentioning

confidence: 99%

A Novel Genetic Algorithm-Based Optimization Framework for the Improvement of Near-Infrared Quantitative Calibration Models

Feng

Chen

Xie

et al. 2020

Computational Intelligence and Neuroscience

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The global fishmeal production is used for animal feed, and protein is the main component that provides nutrition to animals. In order to monitor and control the nutrition supply to animal husbandry, near-infrared (NIR) technology was utilized for rapid detection of protein contents in fishmeal samples. The aim of the NIR quantitative calibration is to enhance the model prediction ability, where the study of chemometric algorithms is inevitably on demand. In this work, a novel optimization framework of GSMW-LPC-GA was constructed for NIR calibration. In the framework, some informative NIR wavebands were selected by grid search moving window (GSMW) strategy, and then the variables/wavelengths in the waveband were transformed to latent principal components (LPCs) as the inputs for genetic algorithm (GA) optimization. GA operates in iterations as implementation for the secondary optimization of NIR wavebands. In steps of the variable’s population evolution, the parametric scaling mode was investigated for the optimal determination of the crossover probability and the mutation operator. With the GSMW-LPC-GA framework, the NIR prediction effect on fishmeal protein was experimentally better than the effect by simply adopting the moving window calibration model. The results demonstrate that the proposed framework is suitable for NIR quantitative determination of fishmeal protein. GA was eventually regarded as an implementable method providing an efficient strategy for improving the performance of NIR calibration models. The framework is expected to provide an efficient strategy for analyzing some unknown changes and influence of various fertilizers.

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“…A FTIR associada à quimiometria tem sido aplicada na caracterização de fibras extraídas de alimentos (CHILYNSKA, M. et al, 2016;GUO et al, 2021;RUIZ et al, 2021) bem como de produtos alimentícios derivados de cereais com ênfase na caracterização de farinha de trigo e derivados como fibra de trigo (DELWICHE, GRAYBOSCH, PETERSON, 1998;FERRÃO et al, 2004;MIRALBÉS, 2004;MUTTLU et al, 2011;SINELLI et al, 2011, RANZAN et al, 2015HELL et al, 2016) e em blendas (ARMANINO, FESTA, 1996;COCHI et al, 2005;COCHI et al, 2006;DOWELL et al, 2006;FOCA et al, 2009;ALBANELL, MIÑARRO, & CARRASCO, 2012;CHEN, ZHU, ZHAO, 2016). Os estudos de caracterização nutricional com biscoitos são escassos.…”

Section: Fundamentação Teóricaunclassified

“…Variações na intensidade de absorção entre diferentes amostras foram observadas em algumas bandas, como em 3700-3150 cm -1 , associada predominantemente aos polissacarídeos (vO-H) e proteínas (vN-H) presentes na amostra (FERRÃO et al, 2004;RANZAN et al, 2015;HELL et al, 2016). As bandas vCH2as e vCH2s e vC=O reforçam a presença de triacilglicerol da gordura vegetal hidrogenada.…”

Section: Análises Por Ftirunclassified

Quantificação Mais Limpa De Fibras Em Biscoitos Salgados Tipo Cracker Através De Ftir E Quimiometria

Corbellini

Diehl²,

Rohlfes³

et al. 2022

RJP

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Neste trabalho apresentamos a implantação e a otimização de um novo método mais limpo baseado em Espectroscopia no Infravermelho com Transformada de Fourier (FTIR) e quimiometria para a quantificação de fibras em biscoitos salgados tipo cracker. Para tanto, 60 amostras de biscoitos salgados tipo cracker oriundos do comércio local de Santa Cruz do Sul (RS, Brasil) foram trituradas e submetidas à análise de fibras por digestão ácida e alcalina segundo o método de referência. As amostras foram também analisadas pela técnica de Reflectância Total Atenuada (ATR) na faixa de 4000-650 cm-1. O conjunto de espectros foi modelado via regressão por mínimos quadrados parciais ortogonais (OPLS) com os dados do método de referência em diferentes faixas espectrais e pré-processamentos. Um modelo ATR/OPLS otimizado foi obtido na faixa de 4000-650 cm-1 com 2 variáveis latentes e dados sem pré-processamento, transformados pela 1ª derivada e por 1 componente de correção de sinal ortogonal. A validação cruzada retornou um coeficiente de determinação de 0,9999 e um RMSECV comprovando assim a validade do método FTIR com quimiometria para esta finalidade

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NIR pre-selection data using modified changeable size moving window partial least squares and pure spectral chemometrical modeling with ant colony optimization for wheat flour characterization

Cited by 12 publications

References 19 publications

A heuristic and parallel simulated annealing algorithm for variable selection in near‐infrared spectroscopy analysis

A heuristic and parallel simulated annealing algorithm for variable selection in near‐infrared spectroscopy analysis

A Novel Genetic Algorithm-Based Optimization Framework for the Improvement of Near-Infrared Quantitative Calibration Models

Quantificação Mais Limpa De Fibras Em Biscoitos Salgados Tipo Cracker Através De Ftir E Quimiometria

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