Multivariate control charts based on net analyte signal (NAS) for characterization of the polymorphic composition of Piroxicam using near infrared spectroscopy

Rocha, Wérickson Fortunato de Carvalho; Poppi, Ronei J.

doi:10.1016/j.microc.2010.01.007

Cited by 17 publications

(6 citation statements)

References 24 publications

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“…From the obtained vectors in these samples and using Eqs. (9) and (13) and Q statistics, the chart limits were established as follows: the lower and upper limits of the NAS chart were 0.4345 and 0.4533, respectively; in the interference chart, the limit was 4.60, whereas for the residual chart, it was 9.61 × 10 À4 . Samples are considered under control if they are within the limits in all the control charts; if a sample falls out of the threshold in at least one of the charts, it will be considered out of control.…”

Section: Resultsmentioning

confidence: 99%

“…Statistical limit to a level of confidence of 95% to interference chart (D limit,α ) was determined using Eqs. (10)(11)(12)(13):…”

Section: Theorymentioning

confidence: 99%

“…Multivariate control charts based on net analyte signal (NAS) coupled with NIR and Raman spectroscopic data were used for quality monitoring of piraxicam, carbamazepine, and nimesulide medicines [13][14][15], with respect to the active principle and placebo (content and adulteration) and the presence of different polymorphic forms. These methodologies obtained good results, with complete distinction of the samples inside and out of the quality specifications.…”

Section: Introductionmentioning

confidence: 99%

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Multivariate control charts based on NAS and mid‐infrared spectroscopy for quality control of B5 blends of methyl soybean biodiesel in diesel

Mitsutake

Guimarães

Freitas

et al. 2015

Journal of Chemometrics

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aIn this work, mid-infrared spectroscopy and multivariate control charts based on net analyte signal were applied for quality control of B5 blends of biodiesel/diesel (5% biodiesel/95% diesel). Control charts were constructed using instrumental signal decomposition, generating three charts: the net analyte signal chart for monitoring the analyte of interest (methyl soybean biodiesel); the interference chart, which corresponds to the contribution of all other compounds in the diesel sample (diesel); and the residual chart, which corresponds to non-systematic variations. Statistical limits were established for each developed chart, using samples inside quality specifications (normal operation conditions). To validate multivariate control charts, new samples were analyzed. The new samples represented samples in-control and samples out-of-control in relation to the content of biodiesel, adulterated biodiesel with severe vegetable oils and adulterated diesel with residual automotive lubricant oil, kerosene, and gasoline. The results obtained show an excellent distinction between the samples inside and out of the quality specifications, with 91% and 100% correctly classified, respectively, which demonstrates that the methodology developed is a viable alternative for quality monitoring of this type of fuel.

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Section: Resultsmentioning

confidence: 99%

“…Statistical limit to a level of confidence of 95% to interference chart (D limit,α ) was determined using Eqs. (10)(11)(12)(13):…”

Section: Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Multivariate control charts based on NAS and mid‐infrared spectroscopy for quality control of B5 blends of methyl soybean biodiesel in diesel

Mitsutake

Guimarães

Freitas

et al. 2015

Journal of Chemometrics

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“…Net analyte signal (NAS) is a well known algorithm which has been applied to different branches of chemometrics like calibration,20–22 wavelength selection and outlier detection,23 figures of merit calculation,20, 24 the development of new spectral processing methods,25–27 and hard‐soft modelling methods 28, 29. NAS for an analyte is defined as the part of its spectrum that is orthogonal to the spectral space of the other sample components 30.…”

Section: Theorymentioning

confidence: 99%

Simultaneous spectrophotometric determination of paracetamol and para‐aminophenol in pharmaceutical dosage forms using two novel multivariate standard addition methods based on net analyte signal and rank annihilation factor analysis

Yousefinejad

Hemmateenejad

2011

Drug Testing and Analysis

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Recently we proposed two multivariate standard addition methods using net analyte signal concept and rank annihilation factor analysis, which we named SANAS and SARAF, respectively. These methods could model both indirect sample matrix effects and direct interference effects of the coexisting analytes. Here, the potential of these methods for simultaneous determination of paracetamol and para-aminophenol in the synthetic mixtures and pharmaceutical products was examined. It was found that both models could predict the concentration of analytes in synthetic mixtures with relative errors of prediction lower than 7%. Moreover, the employed methods exhibited the recoveries in the range of 93.11 and 108.67 for analysis of the drugs in the real matrices. From SANAS plots, the figures of merit including sensitivity, selectivity and limit of detection were calculated as 0.143 µg/ml, 0.587 and 0.018 µg/ml for paracetamol and 0.128 µg/ml, 0.547 and 0.020 µg/ml for para-aminophenol, respectively.

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“…formas polimórficas, com monitoramento correto de 100% das amostras. 77 Eles também monitoraram a qualidade de medicamentos de carbamazepina em relação a diferentes formas polimórficas a partir de dados de espectroscopia Raman, onde foi possível distinguir a presença de formas polimórficas diferentes em concentrações de até 1,0%. 78 A quantidade de princípio ativo e a adulteração no excipiente do medicamento nimesulida foi realizada por Rocha et al (2010) a partir de dados de espectroscopia NIR.…”

Section: Rresval é O Vetor Resíduo Para As Amostras De Validação;unclassified

Uso de espectroscopia no infravermelho médio e cartas de controle multivariadas no monitoramento da qualidade de biodieseis de soja e fritura residual em misturas com diesel

Mitsutake¹

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Biodiesel is a renewable fuel, whose the addition of 5% biodiesel (v/v) to the diesel fuel sold in Brazil has been compulsory since 2010. This fuel can be adulterated with various less costly products and even contaminated during shipment and storage. Therefore, this study used midinfrared spectroscopy (MIR) allied with multivariate control charts based on net analyte signal (NAS) to monitor the quality of biodiesel/diesel mixtures containing 5% biodiesel (v/v). The biodiesels in this study were produced from soybean oil and used frying oil using the methyl and ethyl routes. Three charts were developed for each type of biodiesel: the NAS chart referring to the analyte of interest (biodiesel); the chart of the interferents related to the contribution of all the other components in the sample (diesel); and the chart for the residues referring to non-systematic variations in the spectra. Based on the samples within the quality specifications, that is, the set of calibration samples (78 samples), statistical thresholds were established for each control chart. In order to validate the model, nineteen sets of validation samples were constructed (total of 1,544 samples), one set containing 31 samples within the quality specifications; one set of 39 samples containing less than 4.5% (v/v) of biodiesel; one set of 38 samples with more than 5.5% (v/v) of biodiesel; five sets of samples (118 to 120 samples by set) where the biodiesel was partially replaced (5.0% to 30.0% (v/v)) with vegetable oils (soybean, corn, sunflower, canola) and used frying oil, three sets of samples (78 to 120 samples by set) where the diesel which was partially replaced (5.0 to 30.0% (v/v) with petroleum products (used motor oil, kerosene, and gasoline), and eight sets of 640 samples which were adulterated with between 5.0 and 30.0% (v/v) of the adulterants cited the diesel and biodiesel samples. From these sets, it was seen that the model can properly monitor the samples with respect to biodiesel content of the mixtures as well as the presence of adulterants therein, since the samples within the specifications were within the established statistical limits, and the samples which were outside of specifications exceeded the limits on at least one of the three charts; of 1.662 samples analyzed in total, only two of calibration was erroneously monitored.Thus, the results obtained were satisfactory, with the correct monitoring of more than 95% of the samples for each of the constructed models.

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Multivariate control charts based on net analyte signal (NAS) for characterization of the polymorphic composition of Piroxicam using near infrared spectroscopy

Cited by 17 publications

References 24 publications

Multivariate control charts based on NAS and mid‐infrared spectroscopy for quality control of B5 blends of methyl soybean biodiesel in diesel

Multivariate control charts based on NAS and mid‐infrared spectroscopy for quality control of B5 blends of methyl soybean biodiesel in diesel

Simultaneous spectrophotometric determination of paracetamol and para‐aminophenol in pharmaceutical dosage forms using two novel multivariate standard addition methods based on net analyte signal and rank annihilation factor analysis

Uso de espectroscopia no infravermelho médio e cartas de controle multivariadas no monitoramento da qualidade de biodieseis de soja e fritura residual em misturas com diesel

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