Development Of Molecular Spectroscopic Multivariate Calibration Models For The Determination Of Fatty Acid And Triachyl Glycerol Compositions Of Olive Oils

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Development of Molecular Spectroscopic Multivariate Calibration Models for the Determination of Fatty Acid and Triachyl Glycerol Compositions of Olive Oils

Author : Esra Kuday
Publisher :
ISBN 13 :
Total Pages : 186 pages
Book Rating : 4.:/5 (899 download)

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Book Synopsis Development of Molecular Spectroscopic Multivariate Calibration Models for the Determination of Fatty Acid and Triachyl Glycerol Compositions of Olive Oils by : Esra Kuday

Download or read book Development of Molecular Spectroscopic Multivariate Calibration Models for the Determination of Fatty Acid and Triachyl Glycerol Compositions of Olive Oils written by Esra Kuday and published by . This book was released on 2014 with total page 186 pages. Available in PDF, EPUB and Kindle. Book excerpt: The determination of fatty acid methyl esters and triachyl glycerol compositions of olive oils by chromatographic methods require not only sample pre treatment carried out but also extend the time of the analysis. Also, chromatographic methods are expensive. Therefore, there is a need for an alternative method. In this study, it is aimed to develop molecular spectroscopic multivariate calibration models for the determination of some of the fatty acid methyl esters and triachyl glycerol compositions of olive oils. For this purpose, 79 olive oil samples from different regions of Turkey (Manisa and Bursa) were collected and scanned with Fourier Transform Infrared spectroscopy equipped with attenuated total reflectance (FTIR-ATR) accessory, Fourier Transform Near Infrared spectroscopy (FTNIR) and Gas Chromatography (GC), High Performance Liquid Chromatography (HPLC). Chromatographic analyses of these samples were done by Olive Oil Research Institute and spectroscopic analyses were done by our group. The data obtained from High Performance Liquid Chromatography (HPLC) was chosen as a reference method for triachyl glycerol compositions and also the data obtained from Gas Chromatography (GC) was chosen as a reference method for fatty acid methyl esters. Also, Genetic inverse least squares (GILS) and Partial least square methods (PLS) were used for multivariate calibration. In conclusion, NIR and FTIR combined with multivariate calibration models can be more advantageous compare to chromatographic methods because of their simplicity and speed. When investigating the results, relatively successful calibration models were obtained from GILS method than PLS method.

Multivariate Calibration

Author : Harald Martens
Publisher : John Wiley & Sons
ISBN 13 : 9780471930471
Total Pages : 444 pages
Book Rating : 4.9/5 (34 download)

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Book Synopsis Multivariate Calibration by : Harald Martens

Download or read book Multivariate Calibration written by Harald Martens and published by John Wiley & Sons. This book was released on 1992-08-07 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multivariate Calibration Harald Martens, Chemist, Norwegian Food Research Institute, Aas, Norway and Norwegian Computing Center, Oslo, Norway Tormod Næs, Statistician, Norwegian Food Research Institute, Aas, Norway The aim of this inter-disciplinary book is to present an up-to-date view of multivariate calibration of analytical instruments, for use in research, development and routine laboratory and process operation. The book is intended to show practitioners in chemistry and technology how to extract the quantitative and understandable information embedded in non-selective, overwhelming and apparently useless measurements by multivariate data analysis. Multivariate calibration is the process of learning how to combine data from several channels, in order to overcome selectivity problems, gain new insight and allow automatic outlier detection. Multivariate calibration is the basis for the present success of high-speed Near-Infrared (NIR) diffuse spectroscopy of intact samples. But the technique is very general: it has shown similar advantages in, for instance, UV, Vis, and IR spectrophotometry, (transmittance, reflectance and fluorescence), for x-ray diffraction, NMR, MS, thermal analysis, chromatography (GC, HPLC) and for electrophoresis and image analysis (tomography, microscopy), as well as other techniques. The book is written at two levels: the main level is structured as a tutorial on the practical use of multivariate calibration techniques. It is intended for university courses and self-study for chemists and technologists, giving one complete and versatile approach, based mainly on data compression methodology in self-modelling PLS regression, with considerations of experimental design, data pre-processing and model validation. A second, more methodological, level is intended for statisticians and specialists in chemometrics. It compares several alternative calibration methods, validation approaches and ways to optimize the models. The book also outlines some cognitive changes needed in analytical chemistry, and suggests ways to overcome some communication problems between statistics and chemistry and technology.

Introduction to Multivariate Calibration

Author : Alejandro C. Olivieri
Publisher : Springer
ISBN 13 : 3319970976
Total Pages : 243 pages
Book Rating : 4.3/5 (199 download)

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Book Synopsis Introduction to Multivariate Calibration by : Alejandro C. Olivieri

Download or read book Introduction to Multivariate Calibration written by Alejandro C. Olivieri and published by Springer. This book was released on 2018-08-20 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an introductory-level guide to the complex field of multivariate analytical calibration, with particular emphasis on real applications such as near infrared spectroscopy. It presents intuitive descriptions of mathematical and statistical concepts, illustrated with a wealth of figures and diagrams, and consistently highlights physicochemical interpretation rather than mathematical issues. In addition, it describes an easy-to-use and freely available graphical interface, together with a variety of appropriate examples and exercises. Lastly, it discusses recent advances in the field (figures of merit, detection limit, non-linear calibration, method comparison), together with modern literature references.

Development of Genetic Algorithms Based Multivariate Calibration Models for the Determination of Lubricating Oil Compositions Using Fourier Transform Infrared Spectroscopy

Download Development of Genetic Algorithms Based Multivariate Calibration Models for the Determination of Lubricating Oil Compositions Using Fourier Transform Infrared Spectroscopy PDF Online Free

Author : İrem Anıl
Publisher :
ISBN 13 :
Total Pages : 132 pages
Book Rating : 4.:/5 (879 download)

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Book Synopsis Development of Genetic Algorithms Based Multivariate Calibration Models for the Determination of Lubricating Oil Compositions Using Fourier Transform Infrared Spectroscopy by : İrem Anıl

Download or read book Development of Genetic Algorithms Based Multivariate Calibration Models for the Determination of Lubricating Oil Compositions Using Fourier Transform Infrared Spectroscopy written by İrem Anıl and published by . This book was released on 2013 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt: Engine oils consist of base oils and additives. There have been a number of changes in the composition of engine oils depending on the time and using conditions like the decrease in the aditive amounts and increase in the amount of oxidation products. Although there are many physical and chemical standard test methods for the determination of oil quality, none of these methods alone can be used to determine the whole composition of engine oils. The main objective of this work, is to develop a single anlytical method that is simple, rapid and accurate for the quantitative determination of lubricating oil compositions using Fourier transform infrared (FTIR) spectroscopy combined with chemometric multivariate data analysis. For this study, a number of most intensively produced engine oils are chosen in an industrial lubrication oil plant and then synthetic mixtures of oil components were prepared in order to develop multivariate calibration models. The FTIR spectra of these samples were recorded using a three reflection attenuated total reflectance (ATR) accessory. The collected spectral data and the reference concentration values of the samples are then used in multivariate calibration modelling step using a genetic algorithm based inverse leaast squares (GILS) calibration method. It was observed that the correlation coefficients between the reference concentration values and the GILS predicted concentrations were around 0.99. As a result, FTIR spectroscopy combined with multivariate calibration can be a rapid method for the quaantitative determination of engine oil compositions.

Introduction to Multivariate Calibration

Author : Alejandro C. Olivieri
Publisher : Springer Nature
ISBN 13 : 3031641442
Total Pages : 309 pages
Book Rating : 4.0/5 (316 download)

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Book Synopsis Introduction to Multivariate Calibration by : Alejandro C. Olivieri

Download or read book Introduction to Multivariate Calibration written by Alejandro C. Olivieri and published by Springer Nature. This book was released on with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Lipid Analysis in Oils and Fats

Author : R.J. Hamilton
Publisher : Springer Science & Business Media
ISBN 13 : 9780751404142
Total Pages : 412 pages
Book Rating : 4.4/5 (41 download)

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Book Synopsis Lipid Analysis in Oils and Fats by : R.J. Hamilton

Download or read book Lipid Analysis in Oils and Fats written by R.J. Hamilton and published by Springer Science & Business Media. This book was released on 1998 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the developments in the field of lipid analysis, providing an up-to-date review of the analytical techniques available to chemists and technologists to identify complex molecules. The requisite theoretical background will be provided for individual techniques, together with their strengths and weaknesses, and a guide to the enormous range of commercial applications. It will be an invaluable reference source to all sectors of the oils and fats industry where accurate labeling of foods, food contamination and adulteration are issues of increasing interest and concern.

Characterization and Authentication of Olive and Other Vegetable Oils

Author : María Jesús Lerma García
Publisher : Springer Science & Business Media
ISBN 13 : 364231418X
Total Pages : 229 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Characterization and Authentication of Olive and Other Vegetable Oils by : María Jesús Lerma García

Download or read book Characterization and Authentication of Olive and Other Vegetable Oils written by María Jesús Lerma García and published by Springer Science & Business Media. This book was released on 2012-08-01 with total page 229 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis presents new methods for the characterization of vegetable oils, with focus in olive oil, according to geographical and botanical origin, genetic variety and other issues influencing product quality. A wide variety of analytical techniques have been employed, such as various chromatographic techniques (different gas and liquid chromatography methods), an electronic nose, infrared spectroscopy and expert-panel evaluation. Several families of minor compounds, with interest as adulteration markers, have been used for method development, including tocopherols, sterols, phenolics, alcohols, proteins and others. Most methods have been enhanced by the application of multivariate chemometrics. The proposed analytical techniques are of interest to investigate fraudulent actions and practices which are detrimental to product quality.

Multivariate Calibration: Quantitative Interpretation Ofnon-selective Chemical Data. Vol. 1

Author : Harald Martens
Publisher :
ISBN 13 : 9788253902739
Total Pages : 107 pages
Book Rating : 4.9/5 (27 download)

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Book Synopsis Multivariate Calibration: Quantitative Interpretation Ofnon-selective Chemical Data. Vol. 1 by : Harald Martens

Download or read book Multivariate Calibration: Quantitative Interpretation Ofnon-selective Chemical Data. Vol. 1 written by Harald Martens and published by . This book was released on 1986 with total page 107 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Fundamentals and Analytical Applications of Multiway Calibration

Author :
Publisher : Elsevier
ISBN 13 : 0444635378
Total Pages : 612 pages
Book Rating : 4.4/5 (446 download)

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Book Synopsis Fundamentals and Analytical Applications of Multiway Calibration by :

Download or read book Fundamentals and Analytical Applications of Multiway Calibration written by and published by Elsevier. This book was released on 2015-08-10 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fundamentals and Analytical Applications of Multi-Way Calibration presents researchers with a set of effective tools they can use to obtain the maximum information from instrumental data. It includes the most advanced techniques, methods, and algorithms related to multi-way calibration and the ways they can be applied to solve actual analytical problems. This book provides a comprehensive coverage of the main aspects of multi-way analysis, including fundamentals and selected applications of chemometrics that can resolve complex analytical chemistry problems through the use of multi-way calibration. Includes the most advanced techniques, methods, and algorithms related to multi-way calibration and the ways they can be applied to solve actual analytical problems Presents researchers with a set of effective tools they can use to obtain the maximum information from instrumental data Provides comprehensive coverage of the main aspects of multi-way analysis, including fundamentals and selected applications of chemometrics

Adaptable Multivariate Calibration Models for Spectral Applications

Author :
Publisher :
ISBN 13 :
Total Pages : 22 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Adaptable Multivariate Calibration Models for Spectral Applications by :

Download or read book Adaptable Multivariate Calibration Models for Spectral Applications written by and published by . This book was released on 1999 with total page 22 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multivariate calibration techniques have been used in a wide variety of spectroscopic situations. In many of these situations spectral variation can be partitioned into meaningful classes. For example, suppose that multiple spectra are obtained from each of a number of different objects wherein the level of the analyte of interest varies within each object over time. In such situations the total spectral variation observed across all measurements has two distinct general sources of variation: intra-object and inter-object. One might want to develop a global multivariate calibration model that predicts the analyte of interest accurately both within and across objects, including new objects not involved in developing the calibration model. However, this goal might be hard to realize if the inter-object spectral variation is complex and difficult to model. If the intra-object spectral variation is consistent across objects, an effective alternative approach might be to develop a generic intra-object model that can be adapted to each object separately. This paper contains recommendations for experimental protocols and data analysis in such situations. The approach is illustrated with an example involving the noninvasive measurement of glucose using near-infrared reflectance spectroscopy. Extensions to calibration maintenance and calibration transfer are discussed.

A User-friendly Guide to Multivariate Calibration and Classification

Author : Tormod Naes
Publisher :
ISBN 13 :
Total Pages : 344 pages
Book Rating : 4.:/5 (878 download)

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Book Synopsis A User-friendly Guide to Multivariate Calibration and Classification by : Tormod Naes

Download or read book A User-friendly Guide to Multivariate Calibration and Classification written by Tormod Naes and published by . This book was released on 2002 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:

A User-friendly Guide to Multivariate Calibration and Classification

Author : Tormod Næs
Publisher : Nir Publications
ISBN 13 : 9780952866626
Total Pages : 0 pages
Book Rating : 4.8/5 (666 download)

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Book Synopsis A User-friendly Guide to Multivariate Calibration and Classification by : Tormod Næs

Download or read book A User-friendly Guide to Multivariate Calibration and Classification written by Tormod Næs and published by Nir Publications. This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Application of Portable and Benchtop Mid-infrared Spectrometers in Profiling Composition and Quality of Edible Oils

Author : Michael J. Wenstrup
Publisher :
ISBN 13 :
Total Pages : 70 pages
Book Rating : 4.:/5 (87 download)

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Book Synopsis Application of Portable and Benchtop Mid-infrared Spectrometers in Profiling Composition and Quality of Edible Oils by : Michael J. Wenstrup

Download or read book Application of Portable and Benchtop Mid-infrared Spectrometers in Profiling Composition and Quality of Edible Oils written by Michael J. Wenstrup and published by . This book was released on 2013 with total page 70 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: The application of infrared spectroscopy techniques to problems in the food and beverage industry has yielded many novel methods. With the increase in computational power, multivariate analysis has brought the unique properties of mid-infrared (MIR) systems to the forefront. The distinct, high intensity MIR absorption bands are well-suited to authentication, classification and quantification of components in complex matrices. This technique has been applied to a variety of food systems, with particular success in the analysis of edible oils. Methods for trans-fat determination, monitoring of oxidative indices, and discrimination of adulterated oils represent only a few of the developments in field of oils. The objective of this study was to utilize MIR spectroscopy in the analysis and characterization of products and processes related to edible oils. A temperature-controlled, ZnSe ATR sampling accessory was used with a benchtop FT-IR system to monitor oxidative changes in frying oils under the influence of a patented anti-oxidation device. In addition, reference methods for free fatty acids (FFA), anisidine value (AV), and color were used to monitor oil stability. FT-IR combined with chemometrics showed differences between control and treatment, with discrimination provided by regions associated with fatty acid hydrolysis and oxidation products. As compared to the control treatment, the anti-oxidation technology decreased the rate of FFA and aldehyde formation, as well as showing a marked effect on total color difference (¿E). Overall, our results showed that a patented induction device slows the rate of lipid degradation, resulting 7-20% reduction in formation rate of key quality parameters and significantly longer utilization of frying oil. Omega-3 dietary supplements have been linked with health benefits due to their contents of EPA and DHA. The concentration of these active components in fish is highly variable; species, catch location, environment, season and processing parameters are all factors in determining the ratio of fatty acids found in the oil. Our objective was to characterize the composition of commercial Omega-3 dietary supplements using mid-infrared spectroscopy, gas chromatography, and chemometrics. Twenty-nine fish body oil (FBO), cod liver oil (CLO), and flaxseed supplements were purchased from retailers. Fatty acid composition of oils, determined by GC-FAME, encompassed a wide range of fatty acid profiles and delivery methods. Mid-infrared spectral data was collected on portable infrared systems and the spectra were used to classify supplements using SIMCA, a pattern recognition technique. In addition, PLSR was used to correlate the spectra with GC-FAME results. SIMCA analysis allowed for tight clustering of fish oil supplements into distinct classes, dependent upon the source and processing. Discriminating power showed a strong influence of the 1038 cm-1 band, which is typically associated with C-O stretching vibrations. PLSR generated multivariate models with high correlation (R = 0.99) between the infrared spectrum and fatty acid composition, and SECV of 1.74 and 1.89 for EPA and DHA, respectively. Our results indicate that ATR FT-IR spectroscopy combined with pattern recognition analysis provides for rapid, robust screening and characterization of edible oils.

Applications of Multivariate Calibration Models and Factor Analysis to Spectroscopic Data

Author : Louise Jennifer Rogers
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (594 download)

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Book Synopsis Applications of Multivariate Calibration Models and Factor Analysis to Spectroscopic Data by : Louise Jennifer Rogers

Download or read book Applications of Multivariate Calibration Models and Factor Analysis to Spectroscopic Data written by Louise Jennifer Rogers and published by . This book was released on 1998 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

A user-friendly guide to multivariate calibration and classification

Author : Tormod Næs
Publisher :
ISBN 13 :
Total Pages : 344 pages
Book Rating : 4.:/5 (18 download)

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Book Synopsis A user-friendly guide to multivariate calibration and classification by : Tormod Næs

Download or read book A user-friendly guide to multivariate calibration and classification written by Tormod Næs and published by . This book was released on 2002 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of chemometrics in general and multivariate calibration and classification in particular is now an essential tool for many analytical techniques. This book provides a readable text, for non-mathematicians, as a introduction to these areas for people with little or moderate knowledge of chemometrics. The book has been designed in an atractive and easily read format, with many diagrams and the use of margin notes to highlight important features.

Analysis of Oils and Fats

Author : Richard John Hamilton
Publisher : Chapman & Hall
ISBN 13 : 9780853343851
Total Pages : 441 pages
Book Rating : 4.3/5 (438 download)

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Book Synopsis Analysis of Oils and Fats by : Richard John Hamilton

Download or read book Analysis of Oils and Fats written by Richard John Hamilton and published by Chapman & Hall. This book was released on 1986-01-01 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Multivariate Calibration for the Development of Vibrational Spectroscopic Methods

Author : Ioan Tomuta
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (115 download)

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Book Synopsis Multivariate Calibration for the Development of Vibrational Spectroscopic Methods by : Ioan Tomuta

Download or read book Multivariate Calibration for the Development of Vibrational Spectroscopic Methods written by Ioan Tomuta and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational spectroscopy, namely near infrared (NIR) and Raman spectroscopy, is based on the interaction between the electromagnetic radiation and matter. The technique is sensitive to chemical and physical properties and delivers a wide range of information about the analyzed sample, but in order to extract the information, multivariate calibration of the spectral data is required. The main goal of this work will be to present in detail the available multivariate calibration strategy for development of NIR and Raman spectroscopic methods, which was successfully applied in pharmaceutics.