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Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
A Book

by Anonim

  • Publisher : Newnes
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0444595295
  • Language : En, Es, Fr & De
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The issues related to food science and authentication are of particular importance for researchers, consumers and regulatory entities. The need to guarantee quality foodstuff – where the word "quality" encompasses many different meanings, including e.g. nutritional value, safety of use, absence of alteration and adulterations, genuineness, typicalness, etc. – has led researchers to look for increasingly effective tools to investigate and deal with food chemistry problems. As even the simplest food is a complex matrix, the way to investigate its chemistry cannot be other than multivariate. Therefore, chemometrics is a necessary and powerful tool for the field of food analysis and control. For food science in general and food analysis and control in particular, there are several problems for which chemometrics are of utmost importance. Traceability, i.e. the possibility of verifying the animal/botanical, geographical and/or productive origin of a foodstuff, is, for instance, one area where the use of chemometric techniques is not only recommended but essential: indeed, at present no specific chemical and/or physico-chemical markers have been identified that can be univocally linked to the origin of a foodstuff and the only way of obtaining reliable traceability is by means of multivariate classification applied to experimental fingerprinting results. Another area where chemometrics is of particular importance is in building the bridge between consumer preferences, sensory attributes and molecular profiling of food: by identifying latent structures among the data tables, bilinear modeling techniques (such as PCA, MCR, PLS and its various evolutions) can provide an interpretable and reliable connection among these domains. Other problems include process control and monitoring, the possibility of using RGB or hyperspectral imaging techniques to nondestructively check food quality, calibration of multidimensional or hyphenated instruments etc.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 6. Multivariate Curve Resolution Methods for Food Chemistry

by Anna de Juan,Sílvia Mas

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083271
  • Language : En, Es, Fr & De
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The term multivariate curve resolution (MCR) designates a family of methods devoted to solving the mixture analysis problem in multicomponent samples. MCR provides the qualitative and quantitative contribution (profile) of each of the compounds in a sample from the sole information of the raw experimental data acquired. Food analysis is about knowing the qualitative and quantitative composition of foodstuffs and, hence, MCR fits very well in this scenario. Typical problems related to food analysis that can be solved by MCR are the identification and analytical determination of target compounds in the presence of unknown interferences/compounds, obtaining food fingerprint information to be used for authentication, adulteration or other purposes, and the interpretation of food processes. All these situations can be solved by handling measurements as simple as a data table with one spectrum (response) per sample or as complex as flexible multiset structures formed by several data tables (e.g. excitation/emission spectra, hyphenated separation techniques: high-performance liquid chromatography with diode array detection, liquid chromatography or gas chromatography–mass spectrometry, etc.), each of them related to a sample or to a particular food condition.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 10. The Impact of Chemometrics on Food Traceability

by Lucia Bertacchini,Marina Cocchi,Mario Li Vigni,Andrea Marchetti,Elisa Salvatore,Simona Sighinolfi,Michele Silvestri,Caterina Durante

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 012808331X
  • Language : En, Es, Fr & De
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In the last decades, mankind has become totally aware about the importance of food quality: nowadays authentication and traceability are words of general use. Food authentication verifies how much a food is in accordance with its label description and law and it could be considered a further guarantee for the quality and safety of a foodstuff. The traceability of food could be considered an essential element in ensuring safety and high quality of food. The synergistic use of instrumental analytical techniques and chemometrics represents a promising way to obtain trustworthy results in the development of authenticity and traceability models. This chapter deals with the potentialities of chemometrics tools in resolving some real issues related to food traceability and authenticity. Particular attention will be paid to the use of some exploratory, classification, and discrimination techniques. In the first part of this chapter, a briefly description of European regulations (Authenticity and Traceability: the European Union point of view), and traceability and authenticity markers (Authenticity and Traceability: a scientific point of view) is reported. The second part is split into two sections: namely Food Authenticity and Food Traceability applications, where the main features and advantages of some chemometrics approaches are presented.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 11. NMR-Based Metabolomics in Food Quality Control

by Alberta Tomassini,Giorgio Capuani,Maurizio Delfini,Alfredo Miccheli

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083328
  • Language : En, Es, Fr & De
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In this chapter, we report the NMR-based metabolomic approach in food analysis and display its more instructive applications in quality control in order to illustrate the set of problems related to the peculiar data source, the potentiality, and the development features of main interest for chemometricians in this field.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 12. Interval-Based Chemometric Methods in NMR Foodomics

by Francesco Savorani,Morten Arendt Rasmussen,Åsmund Rinnan,Søren Balling Engelsen

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083336
  • Language : En, Es, Fr & De
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In classical empirical research a model requires that the number of variables must be less than the number of observations, but developments in chemometrics and modern analytical platforms have pushed people beyond the classical model. Typical “omics” data sets will include 100–1000 samples and often more than 10,000 variables and the advantage of using chemometrics to large data structures is the ability to efficiently deal with collinear data sets with many more variables than samples. However, the trend with ever more variables also pushes the chemometric tools to the limit as they will also increase the extent of spurious correlations and interferences. This chapter advocates for a systematic breakdown of the variable space in intervals in order to improve the interpretability and performance of chemometric methods. The term “i-chemometrics” is here introduced to encompass the whole class of interval-based chemometric methods. This chapter will describe the advantages of using the generic i-chemometric methods for data preprocessing, data exploration, regression, and sample classification/discrimination using examples from NMR foodomics. The main advantages are more parsimonious models, improved interpretability and, in many cases, improved performance.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 2. Experimental Design

by Riccardo Leardi

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083239
  • Language : En, Es, Fr & De
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In this chapter, some of the most commonly used designs (e.g. Full Factorial, Plackett–Burman, Central Composite, Doehlert, D-Optimal, qualitative variables at more than two levels, mixture) will be presented. It will be shown how it is often possible to obtain them by hand, without using any software. How to compute the coefficients of the model and their significance will also be shown. The different designs will be illustrated and commented by means of real examples.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 8. Robust Methods in Analysis of Multivariate Food Chemistry Data

by Ivana Stanimirova,Michał Daszykowski,Beata Walczak

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083298
  • Language : En, Es, Fr & De
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In this chapter, foundations of robust statistics are introduced, including classic and robust estimators as well as their statistical properties (breakdown point, efficiency, influence function and equivariance property). Then, some robust methods that have gained popularity in recent years are presented. The major benefit of using robust methods stems from the fact that they help providing stable estimates for data containing outliers (food samples that have considerably different compositions in comparison with the majority of samples). Regardless of reasons for their uniqueness, outliers strongly affect data interpretation when any method with the least-squares cost function is used. Therefore, robust methods are more suitable to explore and model data containing natural samples when outliers are expected. In addition to exploration and modeling of multivariate data, processing of incomplete multivariate data that contain outliers is also discussed.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 4. Regression

by Frank Westad,Marta Bevilacqua,Federico Marini

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083255
  • Language : En, Es, Fr & De
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In this chapter, a survey of the theory behind the main chemometric methods used for multivariate calibration is presented. Ordinary least squares, multiple linear regression, principal component regression, partial least squares regression and principal covariate regression are discussed in detail. Tools for model diagnostics and model interpretation are presented, together with strategies for variable selection.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 9. Hyperspectral Imaging and Chemometrics: A Perfect Combination for the Analysis of Food Structure, Composition and Quality

by José Manuel Amigo,Idoia Martí,Aoife Gowen

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083301
  • Language : En, Es, Fr & De
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Computer vision systems have become typical tools of increasing importance to control manufacturing processes and product quality in a non-destructive manner in food industrial processing. During the past several years, we have heard about how hyperspectral imaging, joined with chemometrics, could offer a set of possibilities that may help to increase the control of the final quality assessment in production lines. This chapter will not review the main applications of HSI and chemometrics for food quality assessment, since this has already been extensively covered in several reviews. Instead, we will discuss the application and feasibility of the main chemometric techniques applied to different foodstuffs. The reader will be provided with a detailed overview of how to use chemometrics in hyperspectral data, along with a critical discussion on their respective advantages and potential pitfalls. The examples that we will use for this purpose are the detection of water in cheese, classification of bitterness in almonds in a set of samples, detection and classification of contaminants in cheese, and hydration of chickpeas during soaking.

Chemometrics in Food Chemistry

Chemometrics in Food Chemistry
Chapter 5. Classification and Class-Modelling

by Marta Bevilacqua,Remo Bucci,Andrea D. Magrì,Antonio L. Magrì,Riccardo Nescatelli,Federico Marini

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-08
  • Pages : 512
  • ISBN : 0128083263
  • Language : En, Es, Fr & De
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This chapter describes the basic theory about classification, starting from a general description of the different approaches to classification and then illustrating in detail the principal methods which are used in the framework of assessment of food quality. Examples of application of the methods to different data sets are also provided.

Encyclopaedia of Food

Encyclopaedia of Food
The Chemistry of Its Components. Chemometrics in food chemistry

by Anonim

  • Publisher : Unknown Publisher
  • Release : 2016
  • Pages : 277
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Chemical Analysis of Food

Chemical Analysis of Food
Techniques and Applications

by Yolanda Picó

  • Publisher : Academic Press
  • Release : 2012
  • Pages : 798
  • ISBN : 0123848628
  • Language : En, Es, Fr & De
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"The book contains twenty three chapters written by experts on the subject is structured in two parts: the first one describes the role of the latest developments in analytical and bioanalytical techniques, and the second one deals with the most innovative applications and issues in food analysis. The two first introductory chapters about sampling technique, from basic one to the most recent advances, which is still a food challenge because is responsible of the quality and assurance of the analysis, andon data analysis and chemometrics are followed by a review of the most recently applied techniques in process (on-line) control and in laboratories for the analysis of major or minor compounds of food. These techniques ranged from the non-invasive and non-destructive ones, such as infrared spectroscopy, magnetic resonance and ultrasounds, to emerging areas as nanotechnology, biosensors and electronic noses and tongues, including those already well-established in food analysis, such as chromatographic andelectrophoretic techniques. These chapters also include two important tools for solving problems in chemical and biological analysis such as mass spectrometry and molecular-based techniques"--

Who’s Who in Food Chemistry

Who’s Who in Food Chemistry
Europe

by Reto Battaglia,Werner Pfannhauser,Michael Murkovic

  • Publisher : Springer Science & Business Media
  • Release : 2012-12-06
  • Pages : 173
  • ISBN : 3642565336
  • Language : En, Es, Fr & De
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The 2nd completely revised edition of the directory Who's Who in Food Chemistry - Europe comprises carefully checked and evaluated information on more than 750 European food scientists, including complete addresses, telephone and fax numbers, fields of expertise, research topics as well as consulting activities. Private, governmental and official laboratories for food control are also included. Exhaustive indexes allow easy access to all entries. The increasing demand for internationally approved professionals in all fields of food science makes this volume an invaluable source of information for the food industry, R + D institutions, consultants, private laboratories and university departments seeking for cooperation and service partners or consultancy.

Agriculture, Food Chemistry and the Consumer: Impact of technology on food quality, food chemistry and quality assurance

Agriculture, Food Chemistry and the Consumer: Impact of technology on food quality, food chemistry and quality assurance
A Book

by Anonim

  • Publisher : Unknown Publisher
  • Release : 1989
  • Pages : 742
  • ISBN : 9782738001832
  • Language : En, Es, Fr & De
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Chemical Analysis of Food

Chemical Analysis of Food
Techniques and Applications

by Yolanda Pico

  • Publisher : Academic Press
  • Release : 2020-06-16
  • Pages : 916
  • ISBN : 0128132671
  • Language : En, Es, Fr & De
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Chemical Analysis of Food: Techniques and Applications, Second Edition, reviews the latest technologies and challenges in all stages of food analysis, from selecting the right approach, how to perform analytic procedures, and how to measure and report the results. The book is structured in two parts: the first describes the role of the latest developments in analytical and bio-analytical techniques, with the second reviewing innovative applications and issues in food analysis. The techniques discussed range from the non-invasive and non-destructive, such as infrared spectroscopy and ultrasound, to newly emerging areas, such as nanotechnology, biosensors and electronic noses and tongues. This thoroughly updated edition includes new chapters on ambient mass spectrometry, imaging techniques, omics approaches in food analysis, natural toxins analysis, food contact materials, nanomaterials and organic foods. All chapters are updated or rewritten to bring the content completely up-to-date. Reviews the attributes, benefits, limits and potential of all relevant analytic modalities, including spectroscopy, ultrasound and nanotechnology applications Provides in-depth coverage of each technology, including near-infrared, mid-infrared, and Raman spectroscopy, low intensity ultrasound, microfluidic devices and biosensors, electronic noses and tongues, mass spectrometry and molecular techniques Outlines practical solutions to challenging problems in food analysis, including how to combine techniques for improved efficacy Covers all relevant applications of food analysis, such as traceability, authenticity and fraud, biologically-active food components, novel food and nutritional supplements, flavors and fragrances, and contaminants and allergens Provides researchers with a single source of current research and includes contributions from internationally renowned experts in food science and technology and nutrition

Food Authentication

Food Authentication
Techniques, Trends and Emerging Approaches

by Raúl González-Domínguez

  • Publisher : MDPI
  • Release : 2020-04-15
  • Pages : 182
  • ISBN : 3039287486
  • Language : En, Es, Fr & De
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Multiple factors can directly influence the chemical composition of foods and, consequently, their organoleptic, nutritional, and bioactive properties, including their geographical origin, the variety or breed, as well as the conditions of cultivation, breeding, and/or feeding, among others. Therefore, there is a great interest in the development of accurate, robust, and high-throughput analytical methods to guarantee the authenticity and traceability of foods. For these purposes, a large number of sensorial, physical, and chemical approaches can be used, which must be normally combined with advanced statistical tools. In this vein, the aim of the Special Issue “Food Authentication: Techniques, Trends, and Emerging Approaches” is to gather original research papers and review articles focused on the development and application of analytical techniques and emerging approaches in food authentication. This Special Issue comprises 12 valuable scientific contributions, including one review article and 11 original research works, dealing with the authentication of foods with great commercial value, such as olive oil, Iberian ham, and fruits, among others.

Near-Infrared Spectroscopy in Food Science and Technology

Near-Infrared Spectroscopy in Food Science and Technology
A Book

by Yukihiro Ozaki,W. Fred McClure,Alfred A. Christy

  • Publisher : John Wiley & Sons
  • Release : 2006-09-18
  • Pages : 480
  • ISBN : 0470047690
  • Language : En, Es, Fr & De
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This reference gives food science professionals a working understanding of near-infrared spectroscopy (NIRS) and its role in maximizing food potential. It explains the technical aspects of NIRS, including: basic principles; characteristics of the NIR spectra; instrumentation; sampling techniques; and chemometrics. The book details applications of NIRS in agricultural and marine products, foodstuffs and processed foods, engineering and process monitoring, and food safety and disease diagnosis.

Chemometrics in Chromatography

Chemometrics in Chromatography
A Book

by Łukasz Komsta,Yvan Vander Heyden,Joseph Sherma

  • Publisher : CRC Press
  • Release : 2018-02-02
  • Pages : 506
  • ISBN : 1498772544
  • Language : En, Es, Fr & De
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Chemometrics uses advanced mathematical and statistical algorithms to provide maximum chemical information by analyzing chemical data, and obtain knowledge of chemical systems. Chemometrics significantly extends the possibilities of chromatography and with the technological advances of the personal computer and continuous development of open-source software, many laboratories are interested in incorporating chemometrics into their chromatographic methods. This book is an up-to-date reference that presents the most important information about each area of chemometrics used in chromatography, demonstrating its effective use when applied to a chromatographic separation.

Statistics and Chemometrics for Analytical Chemistry

Statistics and Chemometrics for Analytical Chemistry
A Book

by James N. Miller,Jane Charlotte Miller

  • Publisher : Pearson Education
  • Release : 2005
  • Pages : 268
  • ISBN : 9780131291928
  • Language : En, Es, Fr & De
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This popular textbook gives a clear account of the principles of the main statistical methods used in modern analytical laboratories. Such methods underpin high quality analyses in areas such as the safety of food, water and medicines, environmental monitoring, and chemical manufacturing. The treatment throughout emphasises the underlying statistical ideas, and no detailed knowledge of mathematics is required. There are numerous worked examples, including the use of Microsoft Excel and Minitab, and a large number of student exercises, many of them based on examples from the analytical literature.Key features expanded treatment of control charts additions to cover single point calibration and method comparison techniques extended treatment of robust methods major additions to sections on multivariate regression numerous worked examples, using Microsoft Excel and Minitab an attractive two-colour text design updated Instructors' manual improved website including examples for lecturers and students This book is aimed at undergraduate and graduate courses in Analytical Chemistry and related topics. It will also be a valuable resource for researchers and chemists working in analytical chemistry.Professor James Miller is Emeritus Professor of Analytical Chemistry at Loughborough University. He has published numerous reviews and papers on analytical techniques and been awarded the SAC Silver Medal, the Theophilus Redwood Lectureship and the SAC Gold Medal by the Royal Society of Chemsitry. A Past President of the Analytical Division of the RSC, he is a member of the Society's Council and has served on the editorial boards of many analytical and spectroscopic journals.Dr Jane Miller completed a PhD at Cambridge University's Cavendish Laboratory and is an experienced teacher of mathematics and physics at higher education and 6th form levels. She holds an MSc in Applied Statistics and is the author of several specialist A-level statistics texts.

Similarity Models in Organic Chemistry, Biochemistry, and Related Fields

Similarity Models in Organic Chemistry, Biochemistry, and Related Fields
A Book

by Romuald I. Zalewski,Tadeusz Marek Krygowski,John Shorter

  • Publisher : Elsevier Science Limited
  • Release : 1991
  • Pages : 694
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Since Hammett devised the rho-sigma equation in 1937, the application of similarity models through linear free energy relationships (correlation analysis) has become increasingly important for systematising the quantitative data of organic chemistry and related fields. More than twelve years have elapsed since the last appearance of a multi-author, international monograph on this subject, during which time there have been substantial developments. Sophisticated chemometric techniques, such as principal component analysis, have been added to the basic statistical techniques of simple and multiple regression. The interaction with quantum mechanics, particularly in the form of ab initio molecular orbital calculations, has also developed considerably. Such matters are dealt with in the various chapters of this book, not only in connection with main-stream areas of substituent and solvent effects on reactivity and on spectroscopic properties, but also in connection with topics as diverse as gas chromatography, organic electrochemistry, biological activity, and food chemistry. The book will be of interest to a wide range of organic, physical organic, and physical chemists; to medicinal chemists, environmental scientists, biochemists, and analytical chemists; and to chemometricians in general.