Journal ArticleDOI
A comparative study of calibration transfer methods for determination of gasoline quality parameters in three different near infrared spectrometers.
Claudete Fernandes Pereira,Maria Fernanda Pimentel,Roberto Kawakami Harrop Galvão,Fernanda Araújo Honorato,Luiz Stragevitch,Marcelo Nascimento Martins +5 more
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TLDR
This work presents a comparative study of calibration transfer among three near infrared spectrometers for determination of naphthenes and RON (Research Octane Number) in gasoline and points to RS as the best method for the analytical problem under consideration.About:
This article is published in Analytica Chimica Acta.The article was published on 2008-03-17. It has received 67 citations till now.read more
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The successive projections algorithm
Sófacles Figueredo Carreiro Soares,Adriano de Araújo Gomes,Mário César Ugulino de Araújo,Arlindo Rodrigues Galvão Filho,Roberto Kawakami Harrop Galvão +4 more
TL;DR: The successive projections algorithm (SPA) is a variable selection technique that has attracted increasing interest in the analytical-chemistry community in the past 10 years as discussed by the authors, and it has been proposed for sample selection, calibration transfer, and Quantitative Structure-Activity Relationship (QSAR) studies.
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The role of mobile instrumentation in novel applications of Raman spectroscopy: archaeometry, geosciences, and forensics
TL;DR: The applications of analytical Raman spectroscopy in the characterisation of materials associated with archaeologically excavated artefacts, forensic investigations of drugs of abuse, security and crime scenes, minerals and rocks and future astrobiological space missions are now well established; however, these applications have emphasised the need for new developments in the area of miniaturised instrumentation to facilitate the provision of data from 'in field' studies.
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PAT for tableting: Inline monitoring of API and excipients via NIR spectroscopy
Patrick Wahl,Georg Fruhmann,Stephan Sacher,Gerhard Straka,Sebastian Sowinski,Johannes Khinast +5 more
TL;DR: This paper describes the application and implementation of inline NIR spectroscopy in an industrial tablet press, and NIR indicated stochastic segregation behavior of the powder toward the end of the process, which was confirmed by the UV-Vis analysis.
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Maintaining the predictive abilities of multivariate calibration models by spectral space transformation.
Wen Du,Zeng-Ping Chen,Li-Jing Zhong,Shu-Xia Wang,Ru-Qin Yu,Alison Nordon,David Littlejohn,Megan Holden +7 more
TL;DR: Results show that SST can achieve satisfactory analyte predictions from spectroscopic measurements subject to spectrometer/probe alteration, when only a few standardization samples are used, and has the advantages of implementation simplicity, wider applicability and better performance in terms of predictive accuracy.
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Bioelectronic tongues: New trends and applications in water and food analysis
TL;DR: The capabilities of bioelectronic tongues as analytical tools, especially suited for screening analysis, with particular emphasis in water analysis and the characterization of food and beverages are illustrated.
References
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Journal ArticleDOI
Computer Aided Design of Experiments
Robert W. Kennard,L. A. Stone +1 more
TL;DR: A computer oriented method which assists in the construction of response surface type experimental plans takes into account constraints met in practice that standard procedures do not consider explicitly.
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Orthogonal signal correction of near-infrared spectra
TL;DR: It is shown how a variant of PLS can be used to achieve a signal correction that is as close to orthogonal as possible to a given Y-vector or Y-matrix and is applied to four different data sets of multivariate calibration.
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A method for calibration and validation subset partitioning.
Roberto Kawakami Harrop Galvão,Mário César Ugulino de Araújo,Gledson Emidio José,Márcio José Coelho Pontes,Edvan Cirino da Silva,Teresa Cristina Bezerra Saldanha +5 more
TL;DR: A new method to divide a pool of samples into calibration and validation subsets for multivariate modelling is proposed, and the results of F-tests at 95% confidence level reveal that the proposed technique may be an advantageous alternative to the other three strategies.
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Multivariate instrument standardization
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Transfer of multivariate calibration models: a review
TL;DR: An overview of the different methods used for calibration transfer and a critical assessment of their validity and applicability is presented, focusing on methods for transfer of near-infrared (NIR) spectra.