Saturday, 26 November 2016

Assessment of polar phenolic compounds of virgin olive oil by NIR and mid-IR spectroscopy and their impact on quality

European Journal of Lipid Science and Technology
DOI: 10.1002/ejlt.201600099


Chemometric analyses of near- (NIR) and middle-infrared (mid-IR) spectroscopy spectral data (12 500–4000 cm−1 and 4000–400 cm−1) by Partial Least Square (PLS) regression combined with analytical determination of polar phenolic compounds measured by HPLC in different varieties, geographical origin and marketplace categories olive oils—Protected Denomination of Origin (PDO) “Montes de Toledo”; Galician; high quality extra virgin (“Gourmet”/“Premium”); and commercial extra virgin and olive oils—were used to generate calibration and validation models in order to be able to predict the content and profile of these minor compounds, and thereby the quality of the product. Satisfactory multivariate test set validation algorithms were obtained for virgin olive oil (VOO)'s total polar phenolic (TPP) compounds (r = 0.91), hydroxytyrosol and tyrosol secoiridoid derivatives (HtyrSec, TyrSec; r = 0.91 and 0.92, respectively). Contrary to NIRS, the chemometric analysis of the mid-IR spectra gave no satisfactory validation models (r = 0.43, 0.54, and 0.66 for HtyrSec, TyrSec, and TPP), despite that the calibration algorithms gave even higher correlation than NIRS (r > 0.96 for all the polar phenolics studied).

The results establish that NIRS is a very useful technique that allows rapid screening of VOO samples to estimate polar phenolic profile, and thereby their quality and commercial grade. Furthermore, it may give real time information about olive oil composition during processing in order to automatically control technological parameters.

1-3-Dichloropropene 2030 Agenda priorities Abribone Particles Accumulation Acid Soils Acidification Activated Carbon Active ingredients Acuicultura Adsorption Adulteration Aeration Aerobiology Aggregation Agricultural Residue Agro-industrial waste Agronomic performance Agrostis capillaris Air temperature Airborne Alcohols Aldehyde Algae Alkaline Hydrolysis Alkylamines Allelochemical stress Allergy Aluminium Alzheimer's Disease Amendment Amino acid and purine biosynthesis Amphibolite Amylases Analysis Anionic Amphiphiles AnionsMetals ANN Anoma Anthocyanins Anti-aging Anti-cancer activity Antidepressant Antimicrobial Antimicrobial applications Antimicrobial compounds Antioxidants Antioxidants Activity Antiradical Activity Antitumorigenic activity Antiviral Apples Applications AQUA-CIBUS Aqueous solution Arabidopsis thaliana Arbequina ARIMA Aroma Aromatic compounds Aromatic plants Arsenic Artificial Neural Networks Ascorbic acid Ashes Atmospheric Pollution Authentication Autohydrolysis Auxins Availability Axisymetric Models Bacillus subtilis Bacterial growth Bacteriocin Bare fallow soils Barley straw Barrels Batch Beer Bentonite Berry Bilinear matrix Bioactive compounds Bioactive Food Components Bioactive substances Bioactivities Bioavailability Biochar Bioethanol Biofilm Biological indicator Biomarkers Biomonitoring Biorefinery Biosorbent Biotransformation Black Pepper Blockchain Technology Blueberry Body weight Boscalid Botrycides Botrytis cinerea Brassica juncea Brewery wastes Brown macroalgae BTEX Bullet corrosion Butter fat By-products Cadmium Caffeic Acid Calcium Candelilla Candidate gene Carbon isotope discrimination Carburan Catechin-rich extract Cattle Slurry Cell cycle Celta pig breed Characterization Cheese whey Chemical composition Chemical equilibrium Chemometrics Chemoresistance Chestnuts Chloropicrin Chlorteracycline Cholinesterases Chorizo Chromatography Chromium Circular economy Clasification Climate change Climate impact CMC Cobalt Colloids Color Column experiments Competitive sorption Compost Compounds Conformational changes Conjoint analysis Continuous fermentation Control Controlled deficit irrigation Cooking methods Copper Corn breeding Corn cob Corn stover Cornicabra Cortical Neurons Corticosteroids Corticosterone Cortisol Cosmetics Cow Milk Crop Protection Crushed Mussel Shell cucurbit[7]uril cucurbituril Curing Cycas pectinata Cyclic voltammetry Cyclodextrins Cyclopentadecanone Cytotoxicity Dactylis glomerata Data Acquisition and Management Data analysis Decomposition Decontamination Degradation Dehydrogenase activity Denitrosation Density Desorption DFT calculations Diabetes mellitus Dietary polyphenols Dinamic Surface Tension Discharge prediction Disease prevention Dissipation Dithiocarbamates Doxycycline Dry fruit Dry-cured Drying DTCs Edible films Edible flowers Ehrlich pathway Encapsulation Enrichment factors Enterococcus faecium Enzymatic hydrolysis Enzymatic saccharification ErbB2 Ergosterol biosynthesis Esencial Oil Essential oils Ethanol Ethnobotanic Ethylene Ethylenethiourea Eucalyptus camaldulensis EVOO EVOO applications EVOO quality EVOOs Extra Virgin Olive Oil Extraction Extraction Optimization Extraction techniques Fast growing biomass Fat healthiness Fat oxidation Fatty Acids Faults FE-SEM/EDS Feathers Fed-batch fermentation Fed-batch SSF Fed-batch system Feed intake Feluric Acid Feluroyl esterase Fenhexamid Ferhexamid Fermentation Ferulic acid Feruloyl Feruloyl esterase Fingerprint Firing range soils Fish oil Flavanols Flavor Flowering delay Fluorescence Fluoride Fluorine Focus group Folin-Ciocalteuassay Food additives Food analysis Food authentication Food Authenticity Food by-products Food composition Food fingerprinting Food intake-related public risks Food Quality Food Supply Chain Food sustainability Food systems Food Traceability Foods Forest Forest Soils Formación Fortification Fortified Wines Fourier transform infrared Fractionation Fraxinus Frog Frozen storage Frugal-innovation Fucoxanthin Fuidized bed reactor Fullerene Functional Enzymes Functional Food Fungal Spores Fungicide Fungicides Furfural Galicia Galician virgin olive oils Garlic Garnacha Tintorera Gastrointestinal tract GC GC/MS Gelation Generic diversity Genetic variation Geothermal systems Germination Germplasm charaterization Glassy network Glucomannan Gold nanoparticles Gourmet Graciano Granite Granite powder Granitic Material Grape juice Grapes Grasshopper Effect Gravitropism Green synthesis Growth Guava HAE Hair Health benefits Heat-Assited Extraction Heavy Metals Helath claim Hemicelluloses Hemp waste Heterocyclic aromatic amines High hydrostatic pressure High pressure High solids loading Histeresys index Histolocalization Hordeum vulgar HPLC HPLC-DAD HPLC-FLD HPLC-MS/MS HPLC/MS HR-TEM/EDS Humid acid Hyaluronic acid Hydrogeology Hydrolysis Hydroxycinnamic acid Hydroxylpropyl-beta-cyclodextrins Hyperspectral imaging immobilization In vitro Industrial applications Industrial level Innovative functional foods Instrumental analysis Ionic Liquids Iron Job Opportunities Jornadas Kale Keroxim Kinematic viscosity Kinetics Konjac glucomannan Laboratory column Lactic acid Lactic acid bacteria Land use LDT Lead Leaf water relations Lenga temperate forests Liberation Lignin Ligustrum Lime pretreatment Linear Discriminant Analysis Lipid oxidation Lipolysis Lipoxygenase Liqueurs Long-term fertilization Lotka-Volterra Low toxicity Maceration Machine learning Macroalgae Macroalgae applications Magnesium Maize populations Major Depressive Disorder MALDI-TOF/TOF-MS Mancozeb MAO Marcozeb Marinades Measures and indicators Meat Meat Quality Medicinal plant Mediterranean diet Membrane filtration Mepanipyrim Mercury Metabolism Metabolite Metabolites Metabolomics Metal Metal availability Metal fractionation Metalaxyl Meteorology Methyl isothiocyanate Metrafenone Micelles Microalgae Microbiota Microemulsions Microscopy Microtubules Mine Mine soil Mine tailing Mode of Action Modelisation Molecular docking Monoamine Oxidase MS MS/MS Multidrug resistance Multiple chemicals Multiproduct biorefinery Multivariate analysis Muscle foods Mussel Mussel shell Mustard plants Nanocoating Nanoparticle Nanowhisker NAO index Natural Colorants Natural sources Neonates Neonicitinoids Neurodegenerative Disorders Neuroprotection Neurotoxins Nickel NIR Nisin Nitric Oxide Nitrosomercaptopyridine NO Non-linear processes Noticias Novel technologies NPK Fertilizers Nutraceulticals Nutrients Oak ash Oak species Oat straw OAV Ocimum basilicum var. purpurascens leaves OCPs Odorants Odour Activity Value Ole e 1 Olea Oleaceae Olive Co-crushing Olive Oil Olive oil by-products OncomiR OPEs OPPs OPs Optimization Organic amendment Organic carbon Organic matter Organic pollutants Ourense Oxidation Oxidative damage Oxidative phase Oximes Oxytetracycline Ozone p-hydroxybenzoic acid PAHs Paper Industry Parkinson's Disease Pastureland Soils Pathogenic bacteria PBDEs PBDs PCBs PCDDs PCDFs PDO Pellets Percolation Perlite waste addition Pest Management Protocols Pesticide Pets pH pH-spectra Phenolic and aromatic compounds Phenolic Compounds Phenolics Phenology Phenotyping Phosphate Phosphorus Phosphorus adsorption Phosphorus desorption Physical protection Physiological responses Phytochemicals Phytopigments Phytostabilization Phytotoxic effects Phytotoxicity Picual Pig Pig genotypes Pig Stress Pigeon Piglets Pine bark Pine Sawdust Pinus sylvestris Pistachia vera Placenta Plant cell walls Plant production Plantago Plasma Pollen Polluted Soils Polluted Water Pollution Polymer Polyphenols Post-harvest drying Potato Prairie Prebiotic activity Precipitation Prediction Prenatal Preservation Prevention Probiotics Process optimization Production Profiling Properties Proteases protected denomination of origin Proteome profile Proteomics Public health Purification Putative transcription factors Pyritic material PYRs Quality-related Indices Quantification Racked bed reactor Rain Rainfastness Raman Random forest Rank annihilation factor analysis Raw Fish Oil Reaction kinetics modelling Reactor Realkalization Red Rubin Basil Red Wines Redes de Investigación Reinforced Wines Remediation Residues Resistance Response surface methodology Retaining capacity Retention Reuse Rheological properties Ripening temperature RISEGAL Risk assessment Risk Periodos River River bed sediments RMN Root growth Roots Rosaceae family RSM S-nitrosothiol Salting intensity Saponification Screening methods SDS SDS-PAGE Secondary Metabolites Seedling Seminarios Sensory analysis Sensory attributes Sepia Ink Sequential extraction Serotonin Sesamia nonagrioides Settling pond Shelf-life Shelterwood-cut silvicultural system Shooting range Short chain fatty acids Signalling pathways Silage Single extraction Slaughterhouse Large Time Soil Soil aggregates Soil Amendment Soil impact Soil pollution Soil remediation Soil residues Soil structure Soils Solanum tuberosum Solid-state fermentation Solvent Extraction Sorption Soybean oil Spectrometry Spectroscopy Speed of Sound Spirits SSR markers Stability Stress response Styrene Subcutaneous ham fat Subcutaneous pig back-fat Sulfamethoxazole Sulfur-containing compounds Support vector machine Surface Surface Tension Surfactants Sustainability Sustainable Adsorbents Sustainable Development Sustainable use of natural resources SWAdSV Sweet Wines Swertia chirata Taladros Tarbush Taste Technosol Tempranillo Tenacity Terra preta do índio Tetraciclyne Thermal gelation profiles Thermal springs Throughfall Tiamulin TOF-SIMS Toro Appellation of Origin Total aliphatic hydrocarbons Toxic cocktail effects Toxicity Traditional Smoked Foods Traditionally used plants trans-Caryophyllene Transcriptomics Transport Transport experiment Tree vegetation Trimethoprim Tropical soils Tumor suppressor miR Underground waters University of Vigo Urine UV-Vis spectroscopy Vaccinium corymbosum Vacuum packaging Valorization Vanadium Variedades tolerantes Vinclozolin Vine trimming shoot Vineyard Virgin Olive Oils Virus Viscosity Vitamin Volatile Volatile Compounds Voltímetro Wash-off Waste reduction Wastes Wastewater Water deficit Water efficiency Water pollution Water quality Water temperature Weakly deacetylation Weather Webinar Wells Wheat straw Whey Wine Wine aging Wine Quality Wine-making Practices Winemaking Process Withered inflorescences Wood Wood Ash Xylitol Xylooligosaccharides Xylose Zea mays Zinc β-Lactoglobulin