Uncertainty of results in routine qualitative analysis

Pulido, A.; Ruisánchez, Itziar; Boqué, Ricard; Rius, F. Xavier

doi:10.1016/s0165-9936(03)01104-x

Cited by 86 publications

(40 citation statements)

References 18 publications

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“…A compound can often be measured by several methods and the choice of analytical method involves, that is, chemical properties of the analyte, concentrations, sample matrix, cost of the analysis method and instruments, speed and time of the analysis, quantitative or qualitative measurement, precision and necessary equipment. Method development includes sample preparation sampling, separation, detection and evaluation of the results and finally conclusion [8].…”

Section: Methods Developmentmentioning

confidence: 99%

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A Review on Bioanalytical Method Development and Validation

Tijare¹,

Nt²,

Un³

2016

Asian J Pharm Clin Res

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In this review article, bioanalytical methods are widely used to quantitate drugs and their metabolites in plasma matrices and the methods should be applied to studies in areas of human clinical and nonhuman study. Bioanalytical method employed for the quantitative estimation of drugs and their metabolites in biological media and plays an important role in estimation and interpretation of bioequivalence, pharmacokinetic, and toxicokinetic studies. The major bioanalytical role is method development, method validation, and sample analysis. Every step in the method must be investigated to decide the extent to which environment, matrix, or procedural variables can interfere the estimation of analyte in the matrix from the time of set up to the time of analysis. Techniques such as high pressure liquid chromatography (HPLC) and liquid chromatography coupled with double mass spectrometry (LCMS-MS) can be used for the bioanalysis of drugs in body. Each of the instruments has its own merits and demerits. Chromatographic methods are HPLC and gas chromatography have been mainly used for the bioanlysis of small/ large molecules, with LC/MS/MS. Linearity, accuracy, precision, selectivity, sensitivity, reproducibility, and stability are some of the regularly used parameters. In this review article, we are proposed to add some points regarding bioanalytical method development and validation parameter, beneficial to quality assurance to determine the drug, concentration and its metabolite.

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Section: Methods Developmentmentioning

confidence: 99%

“…[17] The ISO definition used the term "M-factor different intermediate precision," where the M-factor expresses the number of factors (operator, equipment, or time) that differ between successive determinations. Intermediate precision is sometimes also called between-run, betweenday, or inter-assay precision [8].…”

Section: Intermediate Precisionmentioning

confidence: 99%

A Review on Bioanalytical Method Development and Validation

Tijare¹,

Nt²,

Un³

2016

Asian J Pharm Clin Res

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“…The PPV may be considered as likelihood that potential epitope will fully or partially overlap with at least one experimental epitope. The PPV value has been calculated using equation 2 [Pulido et al, 2003].…”

Section: Methodsmentioning

confidence: 99%

Evaluation of In Silico Prediction Possibility of Epitope Sequences Using Experimental Data Concerning Allergenic Food Proteins Summarized in BIOPEP Database.

Minkiewicz¹,

Dziuba²,

Darewicz³

et al. 2012

Pol. J. Food Nutr. Sci.

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The aim of the study was to evaluate the possibility of predicting potential epitope sequences and location in allergenic proteins from food using EVALLER program by comparison with experimental epitopes summarised in the BIOPEP database of allergenic proteins. Sequences of experimental epitopes from food allergens, present in the BIOPEP database of allergenic proteins were used in the study. Sequences of potential epitopes were found using EVALLER program. The Positive Predictive Value (PPV) has been used as a measure of prediction quality. The potential epitopes fully or partially overlapping with the experimental ones were considered as true positive results whereas these unrelated to the experimental ones as false positive results. The PPV for entire dataset containing 310 potential epitopes was 80.6%. The PPV varied signifi cantly among particular allergen families defi ned according to the AllFam database. Caseins revealed PPV=100% (with one exception), proteins from tropomyosin family and proteins from papain-like cystein protease family -exceeding 50%. The last two families possess also relatively low frequency of epitope occurrence. The predictive potential was poor (less than 50%) for plant allergens from cupin superfamily. Families such as lipocalins from milk and EF-hand family (parvalbumins) revealed high variability within family. The EVALLER program may be used as a tool for the prediction of epitope location although its potential varies considerably among allergen families. High PPV is associated with a high number of known experimental epitopes (such as in caseins) and/or a high degree of sequence conservation within family (caseins, tropomyosins). insertion and deletion computed using the FASTA algorithm [Pearson, 1991;2000], and the Smith-Waterman score [Smith & Waterman, 1981]. The algorithm applied to develop the EVALLER program was compared with other algorithms investigating the allergenic character of the examined proteins [Soeria-Atmadja et al., 2006]. In reference to the offi cial bioinformatics criteria recommended by the WHO [Goodman, 2006], the discussed program produces fewer false-positive results, i.e. cases in which a non-allergenic protein is found to be an allergen [Soeria-Atmadja et al., 2006]. According to a suggestion presented by Björklund et al. [2005], peptides characteristic for allergens could overlap with experimental epitopes determined by mapping, i.e. based on interactions between the peptides corresponding to fragments of protein sequences and the antibodies of persons allergic to the analysed protein [Bohle, 2006;Steckelbroeck et al., 2008]. Comparison of the epitope determination using experimental mapping and prediction using EVALLER is presented in Figure 1. UnauthenticatedThe aim of the present study was to evaluate the possibility of predicting potential epitope sequences and location in allergenic proteins from food using EVALLER program by comparison with experimental epitopes summarised in the BIOPEP database of allergenic proteins. Table 1. All databases...

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“…[6][7][8] However, such method presents some disadvantages, including high cost of the instrumentation, low analytical throughput, high consumption of reagents and samples and generation of harmful residues. 5,9 These limitations have motivated the development of spectrophotometric techniques for screening analysis [10][11][12][13][14][15][16][17][18][19] with the aim of reducing the number of samples that need to be analyzed by chromatographic methods. In this context, chemometrics plays a key role in the achievement of good screening results.…”

Section: Introductionmentioning

confidence: 99%

A flow-batch analyzer for UV-Vis spectrophotometric detection of adulteration in distilled spirits

Nascimento¹,

Araújo²,

Galvão³

2011

J. Braz. Chem. Soc.

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Um analisador flow-batch é proposto para detecção de adulterações em bebidas destiladas (uísque, conhaque, cachaça, rum e vodca) usando espectrofotometria UV-Vis. O analisador foi empregado para diluir as amostras não-adulteradas e para simular adulterações com adição de 5 e 10% (v/v) de água, etanol ou metanol. Modelos de classificação SIMCA (soft independent modelling of class analogies) foram construídos empregando espectros de amostras adulteradas e não-adulteradas na faixa de 235-355 nm. Aplicando-se os modelos SIMCA a um conjunto de teste, todas as amostras adulteradas e não-adulteradas foram corretamente discriminadas com um nível de confiança de 95% e uma frequência analítica superior a 120 amostras por hora.An automatic flow-batch analyzer is proposed for detection of adulteration in distilled spirits (whiskey, brandy, cachaça, rum and vodka) using UV-Vis spectrophotometry. The analyzer was employed to dilute the non-adulterated samples and to simulate adulteration with addition of 5 and 10% (v/v) of water, ethanol or methanol. SIMCA (soft independent modelling of class analogies) classification models were built using spectra of non-adulterated and adulterated samples in the region of 235-355 nm. By applying the SIMCA models to a test set, all adulterated and non-adulterated samples were correctly discriminated at a confidence level of 95% with an analytical throughput larger than 120 samples per hour.Keywords: flow-batch analyzer, SIMCA, UV-Vis spectrophotometry, adulteration of distilled spirits, screening analysis IntroductionThe adulteration of distilled spirits with water, ethanol or methanol is a problem with serious repercussions, which compromises the product quality, leads to loss of tax revenue and may constitute a public health threat. [1][2][3][4][5] In a study concerning the chemical composition of 608 beverage samples retailed in Brazil over the period [1993][1994][1995][1996][1997][1998][1999] 391 samples were found to be out of quality standards. 5 In two cases, the methanol levels were above the tolerance limit stated in Brazilian legislation. In that study, the analyses were carried out by chromatography in gaseous phase with a flame ionization detector.Chromatography is a powerful analytical method, which has been used in several works to detect adulteration in distilled spirits.6-8 However, such method presents some disadvantages, including high cost of the instrumentation, low analytical throughput, high consumption of reagents and samples and generation of harmful residues. 5,9 These limitations have motivated the development of spectrophotometric techniques for screening analysis [10][11][12][13][14][15][16][17][18][19] with the aim of reducing the number of samples that need to be analyzed by chromatographic methods. In this context, chemometrics plays a key role in the achievement of good screening results. [10][11][12] A previous work 10 proposed the use of near-infrared spectroscopy (NIR) and chemometrics to classify 69 samples of distilled spirits with respect to type (whi...

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Uncertainty of results in routine qualitative analysis

Cited by 86 publications

References 18 publications

A Review on Bioanalytical Method Development and Validation

A Review on Bioanalytical Method Development and Validation

Evaluation of In Silico Prediction Possibility of Epitope Sequences Using Experimental Data Concerning Allergenic Food Proteins Summarized in BIOPEP Database.

A flow-batch analyzer for UV-Vis spectrophotometric detection of adulteration in distilled spirits

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