Chemometrics tools used in analytical chemistry: An overview

Kumar, Naveen; Bansal, Ankit; Sarma, G. S.; Rawal, Ravindra K.

doi:10.1016/j.talanta.2014.02.003

Cited by 317 publications

(148 citation statements)

References 155 publications

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“…27 Hence, a central composite design 2 4 was performed in order to deeply study the four independent variables: extraction solvent volume (dichloromethane, µL), disperser solvent volume (acetonitrile, mL), ionic strength (NaCl, % m/v), and pH on DLLME parabens extraction efficiency.…”

Section: Resultsmentioning

confidence: 99%

Determination of Parabens in Breast Milk Samples by Dispersive Liquid-Liquid Microextraction (DLLME) and Ultra-High-Performance Liquid Chromatography Tandem Mass Spectrometry

Grecco¹,

Souza²,

Acquaro³

et al. 2018

J. Braz. Chem. Soc.

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A reliable method was developed and validated based on dispersive liquid-liquid microextraction (DLLME) and ultra-high-performance liquid chromatography coupled to tandem mass spectrometry (UHPLC-MS/MS) to determine simultaneously methylparaben (MePB), ethylparaben (EtPB), propylparaben (PrPB), and butylparaben (BuPB) in breast milk samples. A central composite design 2 4 with four independent variables and five levels of variance was used to optimize the DLLME conditions. The DLLME/UHPLC-MS/MS method was linear from 5 (lower limit of quantification, LLOQ) to 100 ng mL -1 (upper limit of quantification, ULOQ). The inter-assay and intra-assay precision values presented coefficients of variation (CVs) lower than 15%, and the relative standard error of the inter-and intra-assay accuracy values was lower than 10.4%. The DLLME/UHPLC-MS/MS method was successfully applied to determine parabens in human milk samples obtained from sixteen volunteer lactating mothers.

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Section: Resultsmentioning

confidence: 99%

Determination of Parabens in Breast Milk Samples by Dispersive Liquid-Liquid Microextraction (DLLME) and Ultra-High-Performance Liquid Chromatography Tandem Mass Spectrometry

Grecco¹,

Souza²,

Acquaro³

et al. 2018

J. Braz. Chem. Soc.

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show abstract

“…○ Use of chemometrics methods [6][7][8][9][10][11][12][13][14][15], defined as those involving the "application of mathematical or statistical methods for the treatment of chemical data". Among others, examples of chemometrics approaches include adaptive filtering, factor analysis, orthogonal polynomials or curve fitting techniques.…”

Section: Introductionmentioning

confidence: 99%

Artificial Neural Networks (ANNs) for Spectral Interference Correction Using a Large-Size Spectrometer and ANN-Based Deep Learning for a Miniature One

Li¹,

Zhang²,

Mohua³

et al. 2018

Advanced Applications for Artificial Neural Networks

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Artificial neural networks (ANNs) are evaluated for spectral interference correction using simulated and experimentally obtained spectral scans. Using the same data set (where possible), the predictive ability of shallow depth ANNs was validated against partial least squares (PLS, a traditional chemometrics method). Spectral interference (in the form of overlaps between spectral lines) is a key problem in large-size, long focal length inductively coupled plasma-optical emission spectrometry (ICP-OES). Unless corrected, spectral interference can be sufficiently severe to the point of preventing precise and accurate analytical determinations. In miniaturized, microplasma-based optical emission spectrometry with a portable, short focal length spectrometer (having poorer resolution than its large-size counterpart), spectral interference becomes even more severe. To correct it, we are evaluating use of deep learning ANNs. Details are provided in this chapter.

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“…[10][11] The primary focus of chemometrics involves the use of mathematical or software procedures in particular, both to develop analytical methods and to analyse the signals and results obtained. [12] [13] Hydrochlorothiazide: IUPAC Name: 6-chloro-1, 1-dioxo-3, 4-dihydro-2H-1, 2, 4-benzothiadiazine-7-sulfonamide …”

Section: Introductionmentioning

confidence: 99%

Simultaneous Estimation of Hydrochlorothiazide and Losartan Potassium in Bulk Solid Dosage Form by Chemometric Assisted Spectrophotometric Methods

Narisetty¹,

Prabahar²,

Suresh³

et al. 2017

IOSRJPBS

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Chemometrics tools used in analytical chemistry: An overview

Cited by 317 publications

References 155 publications

Determination of Parabens in Breast Milk Samples by Dispersive Liquid-Liquid Microextraction (DLLME) and Ultra-High-Performance Liquid Chromatography Tandem Mass Spectrometry

Determination of Parabens in Breast Milk Samples by Dispersive Liquid-Liquid Microextraction (DLLME) and Ultra-High-Performance Liquid Chromatography Tandem Mass Spectrometry

Artificial Neural Networks (ANNs) for Spectral Interference Correction Using a Large-Size Spectrometer and ANN-Based Deep Learning for a Miniature One

Simultaneous Estimation of Hydrochlorothiazide and Losartan Potassium in Bulk Solid Dosage Form by Chemometric Assisted Spectrophotometric Methods

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