Simultaneous spectrophotometric determination of drugs in pharmaceutical preparations using multiple linear regression and partial least-squares regression, calibration and prediction methods

Bautista, R.D.; Aberásturi, F.; Jiménez, Ana I.; Jiménez, Francisco Jiménez

doi:10.1016/s0039-9140(96)01997-2

Cited by 62 publications

(17 citation statements)

References 10 publications

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“…Several mathematical models can be applied to the analytical data to obtain the model parameters, and then apply this model to estimate the analyse concentration in the samples. Among those, linear regression, partial least squares regression and principal components regression, have been used with success in complex determinations (Bautista et al 1996a, Bautista et al 1996b, Berzas Nevado et al 1997.…”

Section: Introductionmentioning

confidence: 99%

Spectrophotometric determination of phenol in the presence of congeners by multivariated calibration

Souza

Peralta‐Zamora

2001

An. Acad. Bras. Ciênc.

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The generation of poly-hydroxilated transient species during the photochemical treatment of phenol usually impedes the spectrophotmetric monitoring of its degradation process. Frequently, the appearance of compounds such as pyrocatechol, hydroquinone and benzoquinone produces serious spectral interference, which hinder the use of the classical univariate calibration process. In this work, the use of multivariate calibration is proposed to permit the spectrophotometric determination of phenol in the presence of these intermediates. Using 20 synthetic mixtures containing phenol and the interferents, a calibration model was developed by using a partial least square regression process (PLSR) and processing the absorbance signal between 180 and 300 nm. The model was validated by using 3 synthetic mixtures. In this operation, typical errors lower than 3% were observed. Close correlation between the results obtained by liquid chromatography and the proposed method was also observed.

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Section: Introductionmentioning

confidence: 99%

Spectrophotometric determination of phenol in the presence of congeners by multivariated calibration

Souza

Peralta‐Zamora

2001

An. Acad. Bras. Ciênc.

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“…Nos últi-mos 20 anos, com o interfaceamento de instrumentos aos computadores, houve um crescente interesse pela aplicação da calibração multivariada para resolução de problemas decorrentes da multianálise de analitos. Nesse contexto, os métodos de regressão de mínimos quadrados parciais (PLS) e de componentes principais (PCR) têm recebido maior atenção como técnicas de calibração, já que simplificam consideravelmente a manipulação da amostra 66 . Com relação ao tratamento de dados multivariados, a análise de componentes principais (PCA) é o método quimiométrico mais importante, porque permite que a natureza multivariada dos dados seja visualizada em poucas dimensões 67 .…”

Section: Quimiometriaunclassified

Cafeína: revisão sobre métodos de análise

María¹,

Moreira²

2007

Quím. Nova

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Recebido em 19/8/05; aceito em 24/3/06; publicado na web em 30/8/06 ANALYTICAL METHODS FOR CAFFEINE. Gravimetric and Bailey-Andrew methods are tedious and provide inflated results. Spectrofotometry is adequate for caffeine analysis but is lengthy. Gas chromatography also is applied to the caffeine analysis but derivatization is needed. High performance liquid chromatography with ultraviolet detection (HPLC-UV) and reversed phase is simple and rapid for xanthine multianalysis. In HPLC-UV-gel permeation, organic solvents are not used. HPLC-mass spectrometry provides an unequivocal structural identification of xanthines. Capillary electrophoresis is fast and the solvent consumption is smaller than in HPLC. Chemometric methods offer an effective means for chemical data handling in multivariate analysis. Infrared spectroscopy alone or associated with chemometries could predict the caffeine content in a very accurate form. Electroanalytical methods are considered of low cost and easy application in caffeine analysis.Keywords: caffeine; methylxanthines; analytical methods. INTRODUÇÃOA cafeína é um alcalóide, identificado como 1,3,7-trimetilxantina, cuja estrutura contém um esqueleto de purina (Figura 1). Este alcalóide é encontrado em grande quantidade nas sementes de café (Coffee sp.) 1 e nas folhas de chá verde (Camilla sinensis) 2 . Também pode ser achado em outros produtos vegetais, particularmente no cacau (Theobroma cocoa) 3 , no guaraná (Paullinia cupana) e na erva-mate (Ilex paraguayensis) 2 . Embora uma parcela pequena da população consuma cafeína na forma de fármacos, como por ex. antigripais, grande parte deste alcalóide é ingerida na forma de bebidas. Uma xícara de café pode conter em média cerca de 80 mg de cafeína, enquanto uma lata de coca-cola em torno de 34-41 mg 4 .A cafeína é um dos alcalóides com atividade biológica mais ingeridos no planeta. Apresenta ação farmacológica variada provocando, dentre outros efeitos, alterações no sistema nervoso central, sistema cardiovascular e homeostase de cálcio. Os efeitos da cafeí-na sobre o comportamento humano têm sido objeto de estudos a algumas décadas. Esses efeitos podem ser descritos como 5-7 aumento da capacidade de alerta e redução da fadiga, com concomitante melhora no desempenho de atividades que requeiram maior vigilância. Em contrapartida, o consumo de cafeína pode afetar negativamente o controle motor e a qualidade do sono, bem como causar irritabilidade em indivíduos com quadro de ansiedade 6 . O efeito da ingestão de cafeína sobre o sistema cardiovascular ainda é motivo de grande controvérsia 8,9 . Seu consumo regular parece elevar a pressão arterial de forma persistente e, desta forma, indivíduos com hipertensão, doença coronariana e arritmia cardíaca deveriam ser encorajados a reduzir seus níveis de ingestão de cafeína [10][11][12] . Com relação à homeostase de cálcio, dados compilados em uma revisão indicam que a cafeína não é prejudicial ao metabolismo ósseo de indivíduos cujo consumo de cálcio é adequado as suas necessidades metabólicas 13 . ...

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“…[16][17][18][19][20] Chemometric calibration techniques have been subjected to the resolution of overlapping spectra for the determination of active compounds in samples containing two or more compounds. [21][22][23][24] In our study, CLS, PCR and PLS calibration techniques were applied to the HPLC data set at multiwavelengths using PDA detectors for the binary mixture analysis. These combined numerical methods with HPLC were denoted as HPLC-CLS, HPLC-PCR and HPLC-PLS.…”

Section: )mentioning

confidence: 99%

Chemometric Determination of Naproxen Sodium and Pseudoephedrine Hydrochloride in Tablets by HPLC

Dinç

Özdemir

Aksoy

et al. 2006

CHEMICAL & PHARMACEUTICAL BULLETIN

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The combination of naproxen sodium (NAP) and pseudoephedrine hydrochloride (PSE) has an effect as a pain reliever, fever reducer and nasal decongestant in pharmaceutical tablet formulations. Particularly, the above combination temporarily relieves cold, sinus and flu symptoms such as sinus pressure, minor body aches and pains, headache, nasal and sinus congestion (promotes sinus drainage and restores freer breathing through the nose) and fever.In the literature, NAP in single component samples was investigated by voltametry 1) and spectrofluorometry.2) HPLC was applied to the simultaneous quantitation of NAP and PSE impurities.3) NAP with other compounds in the samples was determined by using HPLC, 4) chemometric methods 5,6) and capillary electrophoresis. 7) Determination of PSE in human plasma was carried out by HPLC. 8) PSE with other compounds in the sample was carried out by using HPTLC, 9) capillary electrophoresis. 10) HPLC, 11) spectrophotometry, 12,13) derivative and ratio spectra derivative spectrophotometry 14) and ratio spectra derivative spectrophotometry, and Vierord's method. 15)Although HPLC, as a comparison method, is the current method of choice for the analysis of multicomponent pharmaceutical formulations, it requires a separation treatment and several injections during analysis. In chromatographic analysis, the main problems of this method involve the optimization of experimental conditions such as selection of column type, temperature of column, variety and composition of mobile phase, selection of one specific wavelength and cheap instrumentation. In spite of the fact that this method undoubtedly provides more sensitive determination than the spectrophotometric methods, the calculations at one specific wavelength produce some errors in the process of construction of linear regression equations. Namely, in the case of a single wavelength detector response classic HPLC gives some chromatographic area errors coming from injection and instrumental fluctuations, as well as the other sources. Therefore, the above mentioned facts affect the result of analysis. For these reasons, the simultaneous use of chromatograms to obtain a multiwavelength PDA detector response will eliminate the errors of single regression equations based on single wavelength. The injection (times of) frequency until achievement of the final result will decrease by the simultaneous use of HPLC and chemometric calibration techniques. This procedure reduces the time of analysis and consumption of reactants.In recent years, chemometric calibrations such as classical least-squares (CLS), inverse least squares (ILS), principle component regression (PCR) and partial least squares (PLS) have been applied to the analysis of analytical data obtained from many instruments. [16][17][18][19][20] Chemometric calibration techniques have been subjected to the resolution of overlapping spectra for the determination of active compounds in samples containing two or more compounds. [21][22][23][24] In our study, CLS, PCR and PLS calibration te...

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Simultaneous spectrophotometric determination of drugs in pharmaceutical preparations using multiple linear regression and partial least-squares regression, calibration and prediction methods

Cited by 62 publications

References 10 publications

Spectrophotometric determination of phenol in the presence of congeners by multivariated calibration

Spectrophotometric determination of phenol in the presence of congeners by multivariated calibration

Cafeína: revisão sobre métodos de análise

Chemometric Determination of Naproxen Sodium and Pseudoephedrine Hydrochloride in Tablets by HPLC

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