Recent Progress in Rapid Analyses of Vitamins, Phenolic, and Volatile Compounds in Foods Using Vibrational Spectroscopy Combined with Chemometrics: a Review

Nowadays, progresses in data processing software have promoted the application of infrared (e.g., FT-IR, NIR, MIR), Raman, and hyperspectral imaging (HSI) techniques for quantitative analysis of biological material and/or aroma compounds in foods. In this review, applications of vibrational spectroscopy combined with chemometrics are summarized including analysis of total polyphenol, individual polyphenols, vitamins, and aromatic compounds in raw and some processed products. Laboratory-based and online application of vibrational spectroscopies monitoring for analysis of phenolic compounds have been described. In addition, technical challenges and future trends have been covered. Based on the literature, the near-infrared technique often has an advantage over other spectroscopy approaches and the expensive and time-consuming chemical methods such as high-performance liquid chromatography and gas chromatography. Overall, the current review suggests that vibrational spectroscopies are promising and powerful techniques that can be used for rapid and accurate determinations of food nutraceuticals and volatile compounds in both academic and industrial contexts.

[1]  D. L. Pavia,et al.  Introduction to Spectroscopy , 1978 .

[2]  P. C. Williams,et al.  Near-infrared reflectance analysis: food industry applications , 1990 .

[3]  Determination of ascorbic acid in pharmaceutical preparations by near infrared reflectance spectroscopy. , 1993, Talanta.

[4]  J. Huvenne,et al.  Quantitative analysis of water-soluble vitamins by ATR-FTIR spectroscopy , 1998 .

[5]  Vincent Baeten,et al.  Spectroscopy: Developments in instrumentation and analysis , 2002 .

[6]  Joseph Irudayaraj,et al.  Rapid determination of vitamin C by NIR, MIR and FT‐Raman techniques , 2002, The Journal of pharmacy and pharmacology.

[7]  Patricia Sinnecker,et al.  Antioxidant activity of chlorophylls and their derivatives , 2005 .

[8]  Federica Bianchi,et al.  Volatile norisoprenoids as markers of botanical origin of sardinian strawberry-tree (Arbutus unedo L.) honey: Characterisation of aroma compounds by dynamic headspace extraction and gas chromatography-mass spectrometry , 2005 .

[9]  Gabriele Reich,et al.  Near-infrared spectroscopy and imaging: basic principles and pharmaceutical applications. , 2005, Advanced drug delivery reviews.

[10]  Yukihiro Ozaki,et al.  Near-Infrared Spectroscopy in Food Science and Technology: Ozaki/Near-Infrared Spectroscopy in Food Science and Technology , 2006 .

[11]  J. Coates.  Interpretation of Infrared Spectra, A Practical Approach , 2006 .

[12]  Yukihiro Ozaki,et al.  Near-infrared spectroscopy in food science and technology , 2007 .

[13]  I. K. Cigić,et al.  An Overview of Conventional and Emerging Analytical Methods for the Determination of Mycotoxins , 2009, International journal of molecular sciences.

[14]  S. Jha.  Near Infrared Spectroscopy , 2010 .

[15]  José Miguel Hernández-Hierro,et al.  Determination of phenolic compounds of grape skins during ripening by NIR spectroscopy , 2011 .

[16]  D. McNaughton,et al.  Raman, infrared and computational analysis of genistein and its methoxy derivatives. , 2011 .

[17]  Daniel Cozzolino,et al.  Characterization of Glycosylated Aroma Compounds in Tannat Grapes and Feasibility of the Near Infrared Spectroscopy Application for Their Prediction , 2012, Food Analytical Methods.

[18]  P. Freire,et al.  Characterization of flavonoid 3-Methoxyquercetin performed by FT-IR and FT-Raman spectroscopies and DFT calculations , 2012 .

[19]  Using near infrared spectroscopy to determine haloanisoles and halophenols in barrel aged red wines , 2012 .

[20]  Soni Mishra,et al.  Raman spectroscopic characterization of different regioisomers of monoacyl and diacyl chlorogenic acid , 2012 .

[21]  D. Sun-Waterhouse,et al.  Industry-Relevant Approaches for Minimising the Bitterness of Bioactive Compounds in Functional Foods: A Review , 2013, Food and Bioprocess Technology.

[22]  L. Bodria,et al.  Apples Nutraceutic Properties Evaluation Through a Visible and Near-Infrared Portable System , 2013, Food and Bioprocess Technology.

[23]  J. Hernández-Hierro,et al.  Feasibility study on the use of near-infrared hyperspectral imaging for the screening of anthocyanins in intact grapes during ripening. , 2013, Journal of agricultural and food chemistry.

[24]  S. Fischer,et al.  Multivariate calibration by near infrared spectroscopy for the determination of the vitamin E and the antioxidant properties of quinoa. , 2013, Talanta.

[25]  A. M. Inarejos-García,et al.  Evaluation of minor components, sensory characteristics and quality of virgin olive oil by near infrared (NIR) spectroscopy , 2013 .

[26]  D. Gallie.  Increasing Vitamin C Content in Plant Foods to Improve Their Nutritional Value—Successes and Challenges , 2013, Nutrients.

[27]  K. M. D. de Lima,et al.  Total anthocyanin content determination in intact açaí (Euterpe oleracea Mart.) and palmitero-juçara (Euterpe edulis Mart.) fruit using near infrared spectroscopy (NIR) and multivariate calibration. , 2013, Food chemistry.

[28]  Serge Kokot,et al.  A near-infrared reflectance spectroscopy method for direct analysis of several chemical components and properties of fruit, for example, Chinese hawthorn. , 2013, Journal of agricultural and food chemistry.

[29]  J. A. Fernández Pierna,et al.  Non-destructive measurement of vitamin C, total polyphenol and sugar content in apples using near-infrared spectroscopy. , 2013, Journal of the science of food and agriculture.

[30]  M. Marco,et al.  Extraction-less, rapid assay for the direct detection of 2,4,6-trichloroanisole (TCA) in cork samples. , 2014, Talanta.

[31]  M. Génard,et al.  Non-destructive prediction of color and pigment contents in mango peel , 2014 .

[32]  Rafael Font,et al.  Use of visible and near-infrared spectroscopy for predicting antioxidant compounds in summer squash (Cucurbita pepo ssp pepo). , 2014, Food chemistry.

[33]  Tan Kezhu,et al.  Detection of Isoflavones Content in Soybean Based on Hyperspectral Imaging Technology , 2014 .

[34]  Catherine M.G.C. Renard,et al.  Comparison of NIR and MIR spectroscopic methods for determination of individual sugars, organic acids and carotenoids in passion fruit , 2014 .

[35]  Julio Nogales-Bueno,et al.  Determination of technological maturity of grapes and total phenolic compounds of grape skins in red and white cultivars during ripening by near infrared hyperspectral image: a preliminary approach. , 2014, Food chemistry.

[36]  M. D. Río-Celestino,et al.  Application of near-infrared reflectance spectroscopy for predicting carotenoid content in summer squash fruit , 2014 .

[37]  Naoshi Kondo,et al.  Chlorogenic acid (CGA) determination in roasted coffee beans by Near Infrared (NIR) spectroscopy , 2014 .

[38]  A. El-Bialy,et al.  Charactrization of carotenoids (lyco-red) extracted from tomato peels and its uses as natural colorants and antioxidants of ice cream , 2014 .

[39]  J. Hernández-Hierro,et al.  Potential of near infrared spectroscopy for the analysis of volatile components in cheeses , 2014 .

[40]  Young-Sun Hwang,et al.  The characterization of caffeine and nine individual catechins in the leaves of green tea (Camellia sinensis L.) by near-infrared reflectance spectroscopy. , 2014, Food chemistry.

[41]  K. Nakano,et al.  The use of visible and near infrared spectroscopy for evaluating passion fruit postharvest quality , 2014 .

[42]  Zou Xiaobo,et al.  Measurement of total anthocyanins content in flowering tea using near infrared spectroscopy combined with ant colony optimization models. , 2014, Food chemistry.

[43]  Shintaroh Ohashi,et al.  Rapid determination of cabbage quality using visible and near-infrared spectroscopy , 2014 .

[44]  N. Sinelli,et al.  NIR spectroscopy for the optimization of postharvest apple management , 2014 .

[45]  M. Vázquez,et al.  Determination of polyphenolic compounds of red wines by UV-VIS-NIR spectroscopy and chemometrics tools. , 2014, Food chemistry.

[46]  J. Church,et al.  Raman spectroscopy in the analysis of food and pharmaceutical nanomaterials , 2014, Journal of food and drug analysis.

[47]  Serge Kokot,et al.  A Novel Near-Infrared Spectroscopy and Chemometrics Method for Rapid Analysis of Several Chemical Components and Antioxidant Activity of Mint (Mentha haplocalyx Briq.) Samples , 2014, Applied spectroscopy.

[48]  M. Bronze,et al.  Application of FTIR-ATR to Moscatel dessert wines for prediction of total phenolic and flavonoid contents and antioxidant capacity. , 2014, Food chemistry.

[49]  K. M. D. de Lima,et al.  NIRS and iSPA-PLS for predicting total anthocyanin content in jaboticaba fruit. , 2015, Food chemistry.

[50]  Patricio Peralta-Zamora,et al.  Determination of total phenolic compounds in yerba mate (Ilex paraguariensis) combining near infrared spectroscopy (NIR) and multivariate analysis , 2015 .

[51]  M. Moreau,et al.  Organic solvent–luteolin interactions studied by FT-Raman, Vis-Raman, UV-Raman spectroscopy and DFT calculations , 2015 .

[52]  G. Tondi,et al.  Middle infrared (ATR FT-MIR) characterization of industrial tannin extracts , 2015 .

[53]  Da-Wen Sun,et al.  Recent Progress of Hyperspectral Imaging on Quality and Safety Inspection of Fruits and Vegetables: A Review. , 2015, Comprehensive reviews in food science and food safety.

[54]  Jifeng Ning,et al.  Predicting the anthocyanin content of wine grapes by NIR hyperspectral imaging. , 2015, Food chemistry.

[55]  Simon X. Yang,et al.  Determination of internal qualities of Newhall navel oranges based on NIR spectroscopy using machine learning , 2015 .

[56]  Yi-Chao Yang,et al.  Rapid detection of anthocyanin content in lychee pericarp during storage using hyperspectral imaging coupled with model fusion , 2015 .

[57]  Zou Xiaobo,et al.  Rapid Determination of Antioxidant Compounds and Antioxidant Activity of Sudanese Karkade (Hibiscus sabdariffa L.) Using Near Infrared Spectroscopy , 2016, Food Analytical Methods.

[58]  B. Gallo,et al.  Fast determination of anthocyanins in red grape musts by Fourier transform mid-infrared spectroscopy and partial least squares regression , 2015, European Food Research and Technology.

[59]  D. Baumgartner,et al.  Prediction of raspberries puree quality traits by Fourier transform infrared spectroscopy , 2015 .

[60]  Youn-Ok Cho,et al.  Vitamin E status of 20- to 59-year-old adults living in the Seoul metropolitan area of South Korea , 2015, Nutrition research and practice.

[61]  Lajos Helyes,et al.  Carotenoid determination in tomato juice using near infrared spectroscopy** , 2015 .

[62]  Zou Xiaobo,et al.  Determination Geographical Origin and Flavonoids Content of Goji Berry Using Near-Infrared Spectroscopy and Chemometrics , 2015, Food Analytical Methods.

[63]  F. Shahidi,et al.  Measurement of antioxidant activity , 2015 .

[64]  Banu Ozen,et al.  Prediction of various chemical parameters of olive oils with Fourier transform infrared spectroscopy , 2015 .

[65]  Joachim Müller,et al.  Non-destructive determination of β-carotene content in mango by near-infrared spectroscopy compared with colorimetric measurements , 2015 .

[66]  Wei Liu,et al.  Feasibility in multispectral imaging for predicting the content of bioactive compounds in intact tomato fruit. , 2015, Food chemistry.

[67]  Zhengyu Jin,et al.  Comparison between ATR-IR, Raman, concatenated ATR-IR and Raman spectroscopy for the determination of total antioxidant capacity and total phenolic content of Chinese rice wine. , 2016, Food chemistry.

[68]  Zou Xiaobo,et al.  Discrimination of honeys using colorimetric sensor arrays, sensory analysis and gas chromatography techniques. , 2016, Food chemistry.

[69]  Gurvinder Singh Bumbrah,et al.  Raman spectroscopy – Basic principle, instrumentation and selected applications for the characterization of drugs of abuse , 2016 .

[70]  C. Böttcher,et al.  Quantifying biochemical quality parameters in carrots (Daucus carota L.) - FT-Raman spectroscopy as efficient tool for rapid metabolite profiling. , 2016, Food chemistry.

[71]  Åsmund Rinnan,et al.  Fast, cross cultivar determination of total carotenoids in intact carrot tissue by Raman spectroscopy and Partial Least Squares calibration. , 2016, Food chemistry.

[72]  Y. Ni,et al.  A novel NIR spectroscopic method for rapid analyses of lycopene, total acid, sugar, phenols and antioxidant activity in dehydrated tomato samples , 2016 .

[73]  Figen Tokatli,et al.  Combination of visible and mid-infrared spectra for the prediction of chemical parameters of wines. , 2016, Talanta.

[74]  A. Armani,et al.  New provisions for the labelling of fishery and aquaculture products: Difficulties in the implementation of Regulation (EU) n. 1379/2013 , 2016 .

[75]  Hui Zhao,et al.  Monitoring of alcohol strength and titratable acidity of apple wine during fermentation using near-infrared spectroscopy , 2016 .

[76]  J. Kister,et al.  Chemometric analysis of French lavender and lavandin essential oils by near infrared spectroscopy , 2016 .

[77]  J. Cebolla-Cornejo,et al.  Tomato as a Source of Carotenoids and Polyphenols Targeted to Cancer Prevention , 2016, Cancers.

[78]  Kássio M G Lima,et al.  Determination of quality attributes in wax jambu fruit using NIRS and PLS. , 2016, Food chemistry.

[79]  Jiewen Zhao,et al.  Nondestructive quantifying total volatile basic nitrogen (TVB-N) content in chicken using hyperspectral imaging (HSI) technique combined with different data dimension reduction algorithms. , 2016, Food chemistry.

[80]  Hongmei Lu,et al.  The rapid determination of total polyphenols content and antioxidant activity in Dendrobium officinale using near-infrared spectroscopy , 2016 .

[81]  Zou Xiaobo,et al.  Near-Infrared (NIR) Spectroscopy for Rapid Measurement of Antioxidant Properties and Discrimination of Sudanese Honeys from Different Botanical Origin , 2016, Food Analytical Methods.

[82]  Yaxi Hu,et al.  Determination of antioxidant capacity and phenolic content of chocolate by attenuated total reflectance-Fourier transformed-infrared spectroscopy. , 2016, Food chemistry.

[83]  R. Poppi,et al.  Rapid Assessment of Total Phenolic and Anthocyanin Contents in Grape Juice Using Infrared Spectroscopy and Multivariate Calibration , 2017, Food Analytical Methods.

[84]  Xiaping Fu,et al.  Nondestructive and Rapid Assessment of Intact Tomato Freshness and Lycopene Content Based on a Miniaturized Raman Spectroscopic System and Colorimetry , 2016, Food Analytical Methods.

[85]  R. Poppi,et al.  Quality evaluation of frozen guava and yellow passion fruit pulps by NIR spectroscopy and chemometrics. , 2016, Food research international.

[86]  Yaxi Hu,et al.  Application of Attenuated Total Reflectance-Fourier Transformed Infrared (ATR-FTIR) Spectroscopy To Determine the Chlorogenic Acid Isomer Profile and Antioxidant Capacity of Coffee Beans. , 2016, Journal of agricultural and food chemistry.

[87]  Mehmet Turan Ayseli,et al.  Flavors of the future: Health benefits of flavor precursors and volatile compounds in plant foods , 2016 .

[88]  Z. Basić,et al.  Antioxidant activity, phenolic profile, chlorophyll and mineral matter content of corn silk (Zea mays L): Comparison with medicinal herbs , 2016 .

[89]  J. Lopes,et al.  Rapid assessment of bioactive phenolics and methylxanthines in spent coffee grounds by FT-NIR spectroscopy. , 2016, Talanta.

[90]  Zou Xiaobo,et al.  Determination of Geographical Origin and Anthocyanin Content of Black Goji Berry (Lycium ruthenicum Murr.) Using Near-Infrared Spectroscopy and Chemometrics , 2017, Food Analytical Methods.

[91]  Aastha Dutta.  Fourier Transform Infrared Spectroscopy , 2017 .

[92]  Pedro Melo-Pinto,et al.  Characterization of neural network generalization in the determination of pH and anthocyanin content of wine grape in new vintages and varieties. , 2017, Food chemistry.

[93]  Lembe S. Magwaza,et al.  Development of calibration models for the evaluation of pomegranate aril quality by Fourier-transform near infrared spectroscopy combined with chemometrics , 2017 .

[94]  Cláudia A. Teixeira dos Santos,et al.  A review on the application of vibrational spectroscopy in the wine industry: From soil to bottle , 2017 .

[95]  B. Ozen,et al.  Monitoring of Wine Process and Prediction of Its Parameters with Mid‐Infrared Spectroscopy , 2017 .

[96]  José Antonio Cayuela,et al.  Sorting olive oil based on alpha-tocopherol and total tocopherol content using near-infra-red spectroscopy (NIRS) analysis , 2017 .

[97]  I. González-Martín,et al.  The potential of near infrared spectroscopy for determining the phenolic, antioxidant, color and bactericide characteristics of raw propolis , 2017 .

[98]  Jifeng Ning,et al.  Determination of total iron-reactive phenolics, anthocyanins and tannins in wine grapes of skins and seeds based on near-infrared hyperspectral imaging. , 2017, Food chemistry.

[99]  Zou Xiaobo,et al.  Rapid prediction of phenolic compounds and antioxidant activity of Sudanese honey using Raman and Fourier transform infrared (FT-IR) spectroscopy. , 2017, Food chemistry.

[100]  Da-Wen Sun,et al.  Hyperspectral imaging with multivariate analysis for technological parameters prediction and classification of muscle foods: A review. , 2017, Meat science.

[101]  J. Simal-Gándara,et al.  Assessment of polar phenolic compounds of virgin olive oil by NIR and mid‐IR spectroscopy and their impact on quality , 2017 .

[102]  Ana María Vivar-Quintana,et al.  Flavonoid and Antioxidant Capacity of Propolis Prediction Using Near Infrared Spectroscopy , 2017, Sensors.

[103]  Yong He,et al.  Comparison of different CCD detectors and chemometrics for predicting total anthocyanin content and antioxidant activity of mulberry fruit using visible and near infrared hyperspectral imaging technique. , 2017, Food chemistry.

[104]  Anguo Xie,et al.  Potential of Hyperspectral Imaging for Rapid Prediction of Anthocyanin Content of Purple-Fleshed Sweet Potato Slices During Drying Process , 2017, Food Analytical Methods.

[105]  R. Poppi,et al.  Quality control of cashew apple and guava nectar by near infrared spectroscopy , 2017 .

[106]  O. Anjos,et al.  Physicochemical characterization of Lavandula spp. honey with FT-Raman spectroscopy. , 2018, Talanta.

[107]  Spectroscopic Technique: Fourier Transform Raman (FT-Raman) Spectroscopy , 2018 .

[108]  Lembe S. Magwaza,et al.  Comparing the analytical performance of near and mid infrared spectrometers for evaluating pomegranate juice quality , 2018 .

[109]  J. Lopes,et al.  Raman spectroscopy for wine analyses: A comparison with near and mid infrared spectroscopy. , 2018, Talanta.

[110]  Wen-Hao Su,et al.  Fourier Transform Infrared and Raman and Hyperspectral Imaging Techniques for Quality Determinations of Powdery Foods: A Review. , 2018, Comprehensive reviews in food science and food safety.

[111]  Jorge Otávio Trierweiler,et al.  Development of a quantitative approach using Raman spectroscopy for carotenoids determination in processed sweet potato. , 2018, Food chemistry.

[112]  D P Mesquita,et al.  New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR). , 2018, Food chemistry.

[113]  P. Kadiroğlu,et al.  Prediction of functional properties of registered chickpea samples using FT-IR spectroscopy and chemometrics , 2018, LWT.

[114]  Lujia Han,et al.  Analytical Raman spectroscopic study for discriminant analysis of different animal-derived feedstuff: Understanding the high correlation between Raman spectroscopy and lipid characteristics. , 2018, Food chemistry.

[115]  J. Aleixandre-Tudó,et al.  Chemometric compositional analysis of phenolic compounds in fermenting samples and wines using different infrared spectroscopy techniques. , 2018, Talanta.

[116]  Hasan Murat Velioglu,et al.  Determination of terpenoid contents of aromatic plants using NIRS. , 2018, Talanta.

[117]  R. Teófilo,et al.  New strategy for determination of anthocyanins, polyphenols and antioxidant capacity of Brassica oleracea liquid extract using infrared spectroscopies and multivariate regression. , 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[118]  Da-Wen Sun,et al.  Multispectral Imaging for Plant Food Quality Analysis and Visualization. , 2018, Comprehensive reviews in food science and food safety.

[119]  J. Pallone,et al.  Green analytical chemistry applied in food analysis: alternative techniques , 2018 .

[120]  Spectroscopic Technique: Mid-Infrared (MIR) and Fourier Transform Mid-Infrared (FT-MIR) Spectroscopies , 2018 .

[121]  T. Oldoni,et al.  Determination of Total Phenolic Compounds and Antioxidant Activity of Ethanolic Extracts of Propolis Using ATR–FT-IR Spectroscopy and Chemometrics , 2018, Food Analytical Methods.

[122]  Xinmin Liu,et al.  Rapid Determination of Active Compounds and Antioxidant Activity of Okra Seeds Using Fourier Transform Near Infrared (FT-NIR) Spectroscopy , 2018, Molecules.

[123]  Spectroscopic Technique: Fourier Transform (FT) Near-Infrared Spectroscopy (NIR) and Microscopy (NIRM) , 2018 .

[124]  M. S. Fowler,et al.  Hyperspectral imaging for non-destructive prediction of fermentation index, polyphenol content and antioxidant activity in single cocoa beans , 2018, Food chemistry.

[125]  Xiaoli Li,et al.  Simultaneous determination of six main types of lipid-soluble pigments in green tea by visible and near-infrared spectroscopy. , 2019, Food chemistry.

[126]  G. Dent,et al.  Modern Raman Spectroscopy , 2019 .

[127]  J. Aleixandre-Tudó,et al.  Towards on-line monitoring of phenolic content in red wine grapes: A feasibility study. , 2019, Food chemistry.

[128]  Daniel Cozzolino,et al.  Contributions of Fourier-transform mid infrared (FT-MIR) spectroscopy to the study of fruit and vegetables: A review , 2019, Postharvest Biology and Technology.