Determinação de sibutramina em formas farmacêuticas através de espectroscopia no infravermelho com refletância difusa e métodos de calibração multivariada

Maluf, Daniela Florencio; Pontarolo, Roberto; Cordeiro, Gilcélia A.; Nagata, Noemi; Peralta‐Zamora, Patricio

doi:10.1590/s0100-40422010000300031

Cited by 8 publications

(6 citation statements)

References 10 publications

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“…The second latent variable (LV2) explained 95.46%, 95.57%, 93.18% and 88.30% of the variation of the K, Mg, S and Cl content, respectively. The use of a high number of LVs may represent an overfitting of the model, which, in general, undermines the predictability of new samples (MALUF et al, 2010). In this study, the smallest prediction errors were provided by the processing of data auto-scaled (leave one out preprocessing).…”

Section: Principal Component Analysis Of the Peach Palm Heart Minerals Contentmentioning

confidence: 90%

Multivariate predictive model of minerals content in the basal portion of peach palm heart (Bactris gasipaes Kunth) using agrometeorological data

Bellettini

Bach

Morón³

et al. 2019

SCA

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The climatic influence in minerals content of peach palm heart (Bactris gasipaes Kunth) was studied and a quick method was assessed to determine Mg, Cl, K and S in the basal portion of peach palm heart based on multivariate predictive model using agro-meteorological data. A total of 24 samples of B. gasipaes Kunth were collected along 14 to 18 months of cultivation, growing in two types of terrain: hillside and lowland. Principal component analysis (PCA) was used to select principal components. The data were modeled using partial least squares regression (PLS). Low average relative prediction errors (4.60%) confirm the good predictability of the models. The factors that most influence the minerals content prediction model were the rain precipitation and solar radiation. The results show that predictive model can be used as rapid method to determine the mineral content in the basal portion of peach palm heart factories and may help to choose geographical regions suitable for the establishment of new peach palm plantations. The models can provide reductions of cost and time analysis to palm heart without generating laboratory effluents. This is the first time in which multivariate analysis is used to generate models to predict minerals concentration in the basal portion of peach palm hearts, quantifying numerically the intensity of climatic factors in the minerals content.

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Section: Principal Component Analysis Of the Peach Palm Heart Minerals Contentmentioning

confidence: 90%

Multivariate predictive model of minerals content in the basal portion of peach palm heart (Bactris gasipaes Kunth) using agrometeorological data

Bellettini

Bach

Morón³

et al. 2019

SCA

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“…Samples employed as the calibration set (40) and external validation set were selected using the sample set partitioning based on joint x–y distances (SPXY) algorithm, after PS. The SPXY algorithm uses the Euclidean distances in the X matrix and y vector (dependent variable) for each pair of samples in the dataset.…”

Section: Methodsmentioning

confidence: 99%

“…Fourier transform infrared spectroscopy (FT‐IR) and modified local straight‐line screening (M‐LSLS) algorithms have been used to detect and quantify some synthetic drugs, such as sibutramine, fenfluramine, lovastatin, sildenafil, and methyldopa in adulterated herbal medicines . Maluf and co‐workers developed a method using diffuse reflectance mid‐infrared Fourier transform spectroscopy (DRIFT) to determine sibutramine in synthetic pharmaceutical products for weight loss and near infrared (NIR) region has been used to characterize the composition of herbal medicines . NIR spectroscopy and chemical pattern recognition have also been employed to group herbal medicines according to their origin and processing methods .…”

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confidence: 99%

Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine

Silva

Honorato

Pimentel

et al. 2015

Journal of Forensic Sciences

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There is an increasing demand for herbal medicines in weight loss treatment. Some synthetic chemicals, such as sibutramine (SB), have been detected as adulterants in herbal formulations. In this study, two strategies using near infrared (NIR) spectroscopy have been developed to evaluate potential adulteration of herbal medicines with SB: a qualitative screening approach and a quantitative methodology based on multivariate calibration. Samples were composed by products commercialized as herbal medicines, as well as by laboratory adulterated samples. Spectra were obtained in the range of 14,000-4000 per cm. Using PLS-DA, a correct classification of 100% was achieved for the external validation set. In the quantitative approach, the root mean squares error of prediction (RMSEP), for both PLS and MLR models, was 0.2% w/w. The results prove the potential of NIR spectroscopy and multivariate calibration in quantifying sibutramine in adulterated herbal medicines samples.

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“…Por tais vantagens, métodos fundamentados em espectroscopia no infravermelho tornaram-se populares na indústria e na pesquisa, tanto na região do infravermelho próximo (XIANG et al, 2009;SARRAGUÇA, LOPES, 2009;ROCHA et al, 2010;SARRAGUÇA, LOPES, 2011) quanto na região do infravermelho médio (ROSSIGNOLI et al, 2008;MALUF et al, 2010;BUNACIU;ABOUL-ENEIN;FLESCHIN, 2010;MAZUREK;SZOSTAK, 2011).…”

Section: Figura 01 -Regiões Do Espectro Eletromagnético Com Suas Respunclassified

Application of Infrared Spectroscopy Couple With Multivariate Calibration for Drug Quality Control - Revision

Madeira

Piantavini

Trindade

2015

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Autor para correspondência: angela@ufpr.br RESUMO:A espectroscopia na região do infravermelho (próximo e médio) pode ser aplicada como alternativa para determinar o teor de substâncias ativas em formas farmacêuticas. A análise quantitativa de fármacos por infravermelho, empregando a técnica de reflectância difusa, apresenta vantagens quando comparada a outras técnicas, como rapidez, menor custo, não utilização de solvente orgânico e determinação direta de um ou mais fármacos, na presença de interferentes. Apesar das vantagens, o espectro obtido por esta técnica apresenta alta complexidade de sinal, devido ao grande número de modos de vibração, e baixa seletividade, pela sobreposição de sinais analíticos. Logo, determinações univariadas são dificultadas, sendo necessário a aplicação de ferramentas quimiométricas, tais como a calibração multivariada. O método mais utilizado é o dos mínimos quadrados parciais (PLSPartial Least Squares), podendo ser empregado para a determinação de um único fármaco (PLS1) ou determinação simultânea de dois ou mais fármacos (PLS2). A validação de modelos multivariados aplicados a medicamentos vem sendo realizada de forma não padronizada, considerando-se parâmetros estabelecidos para normas univaridas e figuras de mérito cabíveis para métodos multivariados, pois ainda não está regulamentada por órgãos fiscalizadores nacionais, tais como ANVISA. PLAVRAS-CHAVE: infravermelho, DRIFT, calibração multivariada, PLS, controle de qualidade, validação de método analítico. ABSTRACT:The infrared spectroscopy (near and mid region) can be applied as an alternative to determine the content of active pharmaceutical ingredients in pharmaceuticals forms. The quantitative analysis using infrared diffuse reflectance (DRIFT) has advantages, compared to other techniques, such as speed, lowest, no use organic solvent and direct and simultaneous determination of the drug (in the presence of interferents). Despite the advantages, the spectrum obtained by this technique is highly complex signal and low selectivity due to the large number of vibration modes and overlapping analytical signals, respectively. Thus, the univariate methods are hampered, requiring the application of chemometric tools, such as, the multivariate calibration. The most used method is the partial least squares (PLS -Partial Least Squares) and can be used for the determination of a single asset (PLS1) or simultaneous determination of two or more

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Determinação de sibutramina em formas farmacêuticas através de espectroscopia no infravermelho com refletância difusa e métodos de calibração multivariada

Cited by 8 publications

References 10 publications

Multivariate predictive model of minerals content in the basal portion of peach palm heart (Bactris gasipaes Kunth) using agrometeorological data

Multivariate predictive model of minerals content in the basal portion of peach palm heart (Bactris gasipaes Kunth) using agrometeorological data

Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine

Application of Infrared Spectroscopy Couple With Multivariate Calibration for Drug Quality Control - Revision

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