Chemical Analysis of Food: Techniques and Applications

1 - Basics and advances in sampling and sample preparation
	1 - Introduction
	2 - Types of samples and the analytical procedure
	3 - Trends in sample preparation for food analysis
		3.1 - From volatile organic solvents to ionic liquids and (natural) deep eutectic solvents
		3.2 - Use of deep eutectic and natural deep eutectic solvents in the food field
	4 - Conclusions
	Acknowledgments
	References
2 - Chemometrics: multivariate analysis of chemical data
	1 - Introduction
		1.1 - From data to information
	2 - From univariate to multivariate
		2.1 - Histograms
		2.2 - Normality tests
		2.3 - ANOVA
		2.4 - Radar charts
	3 - Multivariate data analysis
		3.1 - Principal component analysis
		3.2 - Exploratory analysis of multidimensional data arrays
		3.3 - Signal preprocessing
			3.3.1 - Standard normal variate transform (SNV)
			3.3.2 - Derivatives
			3.3.3 - Horizontal alignment
		3.4 - Supervised data analysis and validation
			3.4.1 - Single evaluation set
			3.4.2 - Cross-validation (CV)
			3.4.3 - Repeated evaluation set
		3.5 - Supervised qualitative modeling
			3.5.1 - Classification and class-modeling
			3.5.2 - Evaluation parameters
			3.5.3 - Distance-based techniques
				3.5.3.1 - k nearest neighbors (k-NN)
				3.5.3.2 - A nonparametric class-modeling technique
				3.5.3.3 - Soft independent modeling of class analogy (SIMCA)
			3.5.4 - Probabilistic techniques
				3.5.4.1 - Linear discriminant analysis
				3.5.4.2 - Quadratic discriminant analysis
				3.5.4.3 - Unequal class models
				3.5.4.4 - Potential functions methods
		3.6 - Supervised quantitative modeling
			3.6.1 - Ordinary least squares
			3.6.2 - Principal component regression
			3.6.3 - Partial least squares
		3.7 - Artificial neural networks
	4 - Current trends and applications
	Acknowledgments
	References
3 - Near-infrared, mid-infrared, and Raman spectroscopy
	1 - Introduction
	2 - Theory
	3 - Instrumentation
		3.1 - Near-infrared spectrometers
		3.2 - Mid-infrared spectrometer
			3.2.1 - Dispersive spectrometers
			3.2.2 - Fourier transform spectrometers
		3.3 - Raman spectrometers
	4 - Sample presentation
		4.1 - Near-infrared sample accessories
		4.2 - Mid-infrared sample accessories
		4.3 - Raman sample accessories
	5 - New generation of spectrometers
		5.1 - Online systems
		5.2 - Mapping and imaging systems
		5.3 - Hyphenated techniques
		5.4 - Advantages and limitations of spectroscopic techniques
	6 - Chemometric approach
	7 - Applications in food analysis
		7.1 - Geographic origin
			7.1.1 - MIR spectroscopy for the geographic authentication of wines
			7.1.2 - NIR spectroscopy for the geographic authentication of olive oil
			7.1.3 - FT-Raman spectroscopy for the geographic authentication of honey
			7.1.4 - Spectroscopic methods for the geographic authentication of cheese
		7.2 - Species discrimination
			7.2.1 - FT-MIR spectroscopy for the discrimination of meat products
			7.2.2 - NIR spectroscopy for the discrimination of botanical honey origin
			7.2.3 - Raman spectroscopy for the discrimination of green coffee varieties
			7.2.4 - Spectroscopic methods for the discrimination of phenolic compounds
		7.3 - Detection of adulteration
			7.3.1 - FT-MIR spectroscopy for the detection of adulteration of herbs and spices
			7.3.2 - FT-NIR spectroscopy for the detection of adulteration of milk powder
			7.3.3 - FT-Raman spectroscopy for the detection of adulteration of honey
			7.3.4 - Spectroscopic methods for the detection of adulteration of vegetable oils
		7.4 - Detection of contamination
			7.4.1 - MIR spectroscopy for the detection of wheat contamination
			7.4.2 - NIR spectroscopy for the detection of rice contamination
			7.4.3 - FT-Raman spectroscopy for the detection of food contamination
			7.4.4 - Spectroscopic methods for the detection and identification of biofilms
		7.5 - Process control
			7.5.1 - FT-NIR spectroscopy to control meat composition
			7.5.2 - Raman spectroscopy to control chocolate bloom
			7.5.3 - Spectroscopic methods to control oil properties
			7.5.4 - Spectroscopic methods to monitor wine fermentation
		7.6 - Physicochemical properties
			7.6.1 - FT-MIR spectroscopy for the determination of peroxide value of vegetable oils
			7.6.2 - NIR spectroscopy to estimate the antioxidant capacity
			7.6.3 - FT-Raman for the determination of honey composition
			7.6.4 - Spectroscopic methods for the determination of alcohol content in alcohol beverages
		7.7 - Food quality
			7.7.1 - FT-MIR spectroscopy for the determination of quality parameters of beers
			7.7.2 - NIR spectroscopy for the analysis of white pudding
			7.7.3 - Raman spectroscopy for analysis of fish
			7.7.4 - Spectroscopic methods for analysis of milk fat
			7.7.5 - IS–NIR spectroscopy for quality evaluation of fruits, the case of apples
			7.7.6 - Development of handheld spectrometers for fruit analysis
	8 - Conclusion
	References
4 - Nuclear magnetic resonance
	1 - Introduction
	2 - Specialties of NMR spectroscopy
		2.1 - One-dimensional high-resolution liquid state NMR (1D HR-NMR)
		2.2 - Site-specific natural isotope fractionation by NMR (SNIF-NMR)
		2.3 - Two-dimensional NMR spectroscopy (2D NMR)
		2.4 - Solid state NMR spectroscopy
		2.5 - Magnetic resonance imaging (MRI)
		2.6 - Low-field NMR: relaxometry, diffusometry and spectroscopy
	3 - Recent advances in NMR spectroscopy
		3.1 - High-resolution liquid state NMR
		3.2 - High-resolution solid-state NMR spectroscopy
		3.3 - Low-field NMR: relaxometry, diffusometry and spectroscopy
	4 - Selected applications
		4.1 - High-resolution liquid state NMR
		4.2 - Solid-state NMR
			4.2.1 - CPMAS
			4.2.2 - HRMAS
		4.3 - Magnetic resonance imaging
		4.4 - Low-field NMR: diffusometry, relaxometry, spectroscopy
	5 - Concluding remarks
	References
5 - Recent trends in molecular techniques for food pathogen detection
	1 - Introduction
	2 - Nucleic acids: the backbone of all molecular techniques
		2.1 - RNA
		2.2 - DNA
	3 - Recent molecular techniques for detection of food borne pathogen
		3.1 - Polymerase chain reaction
		3.2 - Nested PCR
		3.3 - Multiplex PCR
		3.4 - Reverse transcription (rt) PCR
		3.5 - Real-time (RT) PCR
		3.6 - Digital PCR (dPCR)
	4 - Advanced molecular techniques for detection of foodborne pathogens
		4.1 - Loop-mediated isothermal amplification
			4.1.1 - Primers for LAMP
			4.1.2 - Steps of LAMP process
			4.1.3 - Visualization of LAMP amplification products
		4.2 - Nucleic acid sequence-based amplification
		4.3 - OVATION amplification
		4.4 - Multilocus sequence typing
		4.5 - Ligase chain reaction
		4.6 - Microarrays
	5 - Genotyping methods for detection of foodborne pathogens
		5.1 - Pulse field gel electrophoresis
		5.2 - Rapid amplified polymorphic DNA
		5.3 - Restriction fragment length polymorphism
		5.4 - Amplified fragment length polymorphism
		5.5 - Ribotyping
		5.6 - Denaturing gradient gel electrophoresis
	6 - DNA sequencing methods for detection of foodborne pathogens
		6.1 - DNA sequencing: technology
			6.1.1 - First-generation sequencing methods
				6.1.1.1 - Maxam–Gilbert sequencing
				6.1.1.2 - Sanger sequencing
			6.1.2 - Next-generation sequencing
				6.1.2.1 - Roche 454
				6.1.2.2 - Illumina SBS
				6.1.2.3 - SOLiD sequencing
				6.1.2.4 - Ion PGM sequencing
				6.1.2.5 - Pacific biosciences SMRT sequencing
				6.1.2.6 - Oxford nanopore sequencing
			6.2 - DNA sequencing: application in foodborne-pathogen identification approaches
				6.2.1 - Whole genome sequencing
				6.2.2 Whole metagenomic sequencing (WMS)
		6.3 - Challenges with NGS methods
	7 - Molecular techniques for GMOs and transgenic food
		7.1 - Existing regulatory laws for GM foods available in market
		7.2 - Reference materials, laboratory testing, and method validation for detection of GMOs
		7.3 - Categories of molecular detection techniques for GMOs or transgenic food
			7.3.1 - Category I: “Screening Target” specific
			7.3.2 - Category II: “Gene” specific
			7.3.3 - Category III: “Construct” specific
			7.3.4 - Category IV: “Event” specific
		7.4 - Southern blotting
		7.5 - PCR
			7.5.1 - Competitive PCR
			7.5.2 - Quantitative or real-time PCR
			7.5.3 - Multiplex PCR
			7.5.4 - New PCR-based methods for GMO
		7.6 - Array-based methods
		7.7 - Toxicological analysis
		7.8 - Next-generation sequencing
	8 - Future prospects
	Acknowledgments
		Declaration of Competing Interest
	References
6 - Microfluidic devices: biosensors
	1 - Introduction
	2 - Biosensors classes and fundamentals
		2.1 - Biological recognition elements
			2.1.1 - Enzymes
			2.1.2 - Immunosensors
			2.1.3 - Nucleic acids
			2.1.4 - Bacteriophages
			2.1.5 - Whole cell biosensors
		2.2 - Transduction elements
			2.2.1 - Electrochemical transduction
			2.2.2 - Optical transduction
			2.2.3 - Chemiluminescence and bioluminescence
			2.2.4 - Mass sensitive sensors
	3 - Nanobiosensors, microfluidics, and lab-on-a-chip
		3.1 - Label-based methods
		3.2 - Label-free detection methods
		3.3 - Micro/nanofluidics integrated with nanobiosensors
	4 - Application of new biosensing technologies for food safety
		4.1 - Pesticide residues
		4.2 - Veterinary drugs and growth promoting agents
		4.3 - Pathogenic bacteria and natural toxins
		4.4 - Natural toxins
	5 - Commercial instrumentation and future perspectives
	Acknowledgment
	References
7 - Electronic noses and tongues
	1 - Background
	2 - Electronic nose (E-nose)
	3 - Electronic tongue (E-tongue)
	4 - Treatment of data
	5 - Application of E-nose and E-tongue
		5.1 - Meat and fish
		5.2 - Dairy products
		5.3 - Honey
		5.4 - Eggs
		5.5 - Fruit and vegetables
		5.6 - Beverages
	6 - Conclusions and future trends
	References
8 - Liquid chromatography in food analysis
	1 - Introduction
	2 - Liquid chromatography–mass spectrometry in food analysis (target and nontarget compound screening)
		2.1 - Natural compounds
			2.1.1 - Vitamins
			2.1.2 - Flavonoids
			2.1.3 - Lipids
			2.1.4 - Carbohydrates
		2.2 - Food Additives
			2.2.1 - Preservative
			2.2.2 - Artificial sweeteners
			2.2.3 - Food coloring
		2.3 - Contaminants
			2.3.1 - Pesticides
			2.3.2 - Carcinogens and natural toxins
			2.3.3 - Veterinary and human drugs
	3 - Trends in application of liquid chromatography in food analysis
		3.1 - Ultra-high-performance liquid chromatography
		3.2 - Monolithic column
		3.3 - Fused-core particle packed columns
	4 - Conclusion and future perspectives
	References
9 - Gas chromatography
	1 - Introduction
	2 - Advances in column technology
	3 - New generations of stationary phases
		3.1 - Ionic liquid’s stationary phases
		3.2 - Water compatible stationary phases
	4 - Multidimensional gas chromatographic platforms
		4.1 - LC–GC systems instrumental configurations
		4.2 - LC–GC application to mineral oil contamination assessment
	5 - Comprehensive two-dimensional gas chromatography
		5.1 - Improving GC × GC separation power and resolution
		5.2 - Improving GC × GC identification reliability by structured pattern separations
		5.3 - Benefits and flexibility of thermal modulation
		5.4 - Potentials of differential-flow modulation for high-throughput profiling and fingerprinting
	6 - Mass spectrometry and its fundamental role for confident characterization of complex samples
	References
10 - Electrophoresis
	1 - Introduction
	2 - Separation modes
		2.1 - Capillary zone electrophoresis (CZE)
		2.2 - Micellar electrokinetic chromatography (MEKC)
		2.3 - Capillary electrochromatography (CEC)
		2.4 - Capillary gel electrophoresis (CGE)
		2.5 - Capillary isotachophoresis (CITP)
		2.6 - Capillary isoelectric focusing (CIEF)
	3 - Detectors and detection modes in capillary electrophoresis
		3.1 - Optical detectors
			3.1.1 - UV-vis detection
			3.1.2 - Fluorescence
			3.1.3 - Indirect detection
		3.2 - Capacitively coupled contactless conductivity detection
		3.3 - Mass spectrometry
	4 - Sample preparation in capillary electrophoresis
	5 - Conclusions and future trends
	References
11 - Mass spectrometry: principles and instrumentation
	1 - Introduction to mass spectrometry
		1.1 - Ionization methods
		1.2 - Mass analyzers
			1.2.1 - Quadrupole
			1.2.2 - Ion trap
			1.2.3 - Time of flight
			1.2.4 - Orbitrap-MS and FT-ICR-MS
		1.3 - Tandem mass spectrometry
	2 - Real-time analysis mass spectrometry
		2.1 - DART/DESI source
		2.2 - PTR-MS/SIFT-MS
	3 - Isotope ratio mass spectrometry
	4 - Hyphenated technologies
		4.1 - Gas chromatography mass spectrometry in food analysis
		4.2 - Liquid chromatography–tandem mass spectrometry in food analysis
		4.3 - Gas and liquid chromatography–isotope ratio mass spectrometry in food analysis
	5 - Nontargeted analysis: metabolomics analysis
		5.1 - MS-based metabolomics studies in food sciences
	6 - Conclusions and perspectives
	Acknowledgment
	References
12 - Applications of imaging techniques in food science
	1 - Spectral imaging
		1.1 - Applications in food science
			1.1.1 - Assessment of food quality parameters
			1.1.2 - Determination of toxic contamination
			1.1.3 - Variety discrimination
	2 - Magnetic resonance imaging
		2.1 - Principle of MRI
		2.2 - Application of MRI
			2.2.1 - Salt and water distribution during food processing
				2.2.1.1 - Freezing studies
	3 - Soft X-ray imaging
		3.1 - Principle of soft X-ray
		3.2 - Application of soft X-ray
			3.2.1 - X-ray imaging of infective damage in fruits
			3.2.2 - Imaging of microstructure of food product
	4 - Mass spectrometry imaging
		4.1 - Principle of MS imaging
		4.2 - Application of MS imaging
			4.2.1 - Gamma-aminobutyric acid (GABA) distribution in eggplant sections
			4.2.2 - Highly detailed distribution of lysophosphatidylcholine in rice seeds
			4.2.3 - Automatic matrix application enhanced ionization efficiency of food metabolites
	5 - Fluorescence imaging
		5.1 - Principle of HSFI
		5.2 - Applications of HSFI
			5.2.1 - Contamination of foods and agricultural products
			5.2.2 - Quality inspection of agricultural products
	6 - Ultrasound imaging
		6.1 - Principle of UI
		6.2 - Applications of UI
			6.2.1 - Detection of foreign materials in agricultural products
			6.2.2 - Estimation of body composition of meat and fish
	7 - Conclusions and future trends
	References
13 - Food authenticity and fraud
	1 - Introduction
	2 - Methods for food authentication and adulteration
		2.1 - Chromatographic techniques
			2.1.1 - Gas chromatography
			2.1.2 - High-performance liquid chromatography
		2.2 - Spectroscopic techniques
			2.2.1 - Ultraviolet–visible spectrometry
			2.2.2 - Fluorescence spectroscopy
			2.2.3 - Infrared spectroscopy
			2.2.4 - Electronic nose
			2.2.5 - Nuclear magnetic resonance spectroscopy
			2.2.6 - Stable isotope analysis
		2.3 - Enzymes in food authentication
		2.4 - DNA-based methods in food authentication
		2.5 - Differential scanning calorimetry
	3 - Conclusions
	References
14 - Biologically active and health promoting food components of nuts, oilseeds, fruits, vegetables, cereals, and legumes
	1 - Nuts and oilseeds
		1.1 - Phytosterols
		1.2 - Fatty acids
	2 - Fruits and vegetables
		2.1 - Polyphenols
		2.2 - Carotenoids
		2.3 - Glucosinolates
	3 - Cereals and legumes
		3.1 - Dietary fiber
		3.2 - Isoflavones
		3.3 - Lignans
		Acknowledgments
	References
15 - Foodomics evaluation of genetically modified organisms
	1 - Introduction
	2 - Controversial issues and legislation on GMOs
	3 - Strategies used for the analysis of GMOs
		3.1 - Target-based strategies
			3.1.1 - Screening methods for GMOs detection in food
			3.1.2 - Quantification of GMOs in food
		3.2 - Profiling and untargeted strategies
			3.2.1 - Transcriptomics
			3.2.2 - Proteomics
			3.2.3 - Metabolomics
	4 - Conclusions and future outlooks
	Acknowledgments
	References
16 - Flavors and odors analysis
	1 - Introduction
	2 - Sample preparation for food flavor evaluation
	3 - Advanced analytical techniques for food flavor and odor analysis
		3.1 - Gas chromatography in food flavor research
		3.2 - Gas chromatography coupled to mass spectrometry
		3.3 - Gas chromatography olfactometry applied to odor evaluation
		3.4 - Multidimensional gas chromatography
	4 - Conclusions and future trends
	References
17 - Emerging contaminants and toxins
	1 - Introduction
	2 - The global scheme to analyze emerging contaminants
	3 - New substances appearing as emerging contaminants
	4 - Contaminants whose tested methodologies have improved
	5 - Emerging concerns on well-known contaminants
	6 - Conclusions
	Acknowledgments
	References
18 - Natural toxins analysis
	1 - Introduction
	2 - Characterization of filamentous fungi
	3 - Mycotoxins—secondary fungal metabolites
	4 - Masked mycotoxins
	5 - The most popular mycotoxin identification techniques
		5.1 - HPLC
		5.2 - LC/MS/MS
		5.3 - Others
	6 - Conclusions
	References
19 - Advances in MS methods for food allergens detection
	1 - Introduction
	2 - MS methods for food allergens detection
		2.1 - Top-down approach in the detection of food allergens
		2.2 - Bottom-up approach in the detection of food allergens
			2.2.1 - High resolution MS approaches
			2.2.2 - Low resolution MS platforms
	3 - Concluding remarks
	References
20 - Review on metal speciation and their applications since 2010
	1 - Introduction
	2 - Sample preparation for the speciation analysis
		2.1 - Sample collection, storage, and pretreatment
		2.2 - Extraction methods for the sample analysis
	3 - Speciation analysis of metal ions
		3.1 - Arsenic
		3.2 - Antimony
		3.3 - Cobalt
		3.4 - Chromium
		3.5 - Cadmium
		3.6 - Iron
		3.7 - Lead
		3.8 - Mercury
		3.9 - Manganese
		3.10 - Selenium
		3.11 - Tin
	4 - Conclusions
	References