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You searched for: Journal Food chemistry Remove constraint Journal: Food chemistry Subject chemometrics Remove constraint Subject: chemometrics
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1. (Poly)phenolic fingerprint and chemometric analysis of white (Morus alba L.) and black (Morus nigra L.) mulberry leaves by using a non-targeted UHPLC–MS approach

Author:
Eva Mª. Sánchez-Salcedo; Michele Tassotti; Daniele Del Rio; Francisca Hernández; Juan José Martínez; Pedro Mena
Source:
Food chemistry 2016 v.212 pp. 250-255
ISSN:
0308-8146
Subject:
kaempferol; cluster analysis; chlorogenic acid; mass spectrometry; liquid chromatography; quality control; Morus nigra; Morus alba; clones; leaves; intraspecific variation; principal component analysis; chemometrics; quercetin; bioactive properties; glycosylation; mulberries; phenolic acids; germplasm screening; Spain
Abstract:
... This study reports the (poly)phenolic fingerprinting and chemometric discrimination of leaves of eight mulberry clones from Morus alba and Morus nigra cultivated in Spain. UHPLC–MSn (Ultra High Performance Liquid Chromatography–Mass Spectrometry) high-throughput analysis allowed the tentative identification of a total of 31 compounds. The phenolic profile of mulberry leaf was characterized by the ...
DOI:
10.1016/j.foodchem.2016.05.121

2. 1H NMR and LC-MS-based metabolomic approach for evaluation of the seasonality and viticultural practices in wines from São Francisco River Valley, a Brazilian semi-arid region

Author:
Elenilson G. Alves Filho; Lorena Mara A. Silva; Paulo R.V. Ribeiro; Edy S. de Brito; Guilherme J. Zocolo; Patrícia C. Souza-Leão; Aline T.B. Marques; Amanda L. Quintela; Flemming H. Larsen; Kirley M. Canuto
Source:
Food chemistry 2019 v.289 pp. 558-567
ISSN:
0308-8146
Subject:
caffeic acid; chemometrics; glycerol; harvest date; lactic acid; liquid chromatography; metabolomics; nuclear magnetic resonance spectroscopy; proline; river valleys; rootstocks; secondary metabolites; semiarid zones; succinic acid; tartaric acid; vines; viticulture; wine quality; wines; Brazil
Abstract:
... São Francisco River Valley (SFRV) is a wine-producing semi-arid region in Brazil. Therefore, we used a 1H NMR and UPLC-MS-based metabolomic approach coupled to chemometrics to evaluate the variability in Chenin Blanc and Syrah wines for two harvest seasons, two vine training system and six rootstocks. Overall, the secondary metabolites were influenced by the three factors studied, whereas the prim ...
DOI:
10.1016/j.foodchem.2019.03.103

3. 1H NMR and UPLC-HRMS-based metabolomic approach for evaluation of the grape maturity and maceration time of Touriga Nacional wines and their correlation with the chemical stability

Author:
Elenilson G. Alves Filho; Lorena Mara A. Silva; Thamires O. Lima; Paulo R.V. Ribeiro; Cristine S. Vidal; Erika S.S. Carvalho; Janice I. Druzian; Aline T.B. Marques; Kirley M. Canuto
Source:
Food chemistry 2022 v.382 pp. 132359
ISSN:
0308-8146
Subject:
acidity; chemical composition; chemometrics; flavonoids; food chemistry; galacturonic acid; grapes; maceration; mass spectrometry; metabolomics; nuclear magnetic resonance spectroscopy; proanthocyanidins; river valleys; ultra-performance liquid chromatography; Brazil
Abstract:
... Touriga Nacional is a well-adapted Portuguese grape variety in São Francisco River Valley (northeastern Brazil). Nevertheless, it has only been indicated to short-term consumption because of the lack of chemical stability, which is attributed to low grape acidity and incomplete phenolic maturity. Therefore, we used Ultra-Performance Liquid Chromatography coupled High-resolution Mass Spectrometry, ...
DOI:
10.1016/j.foodchem.2022.132359

4. 1H NMR and multi-technique data fusion as metabolomic tool for the classification of golden rums by multivariate statistical analysis

Author:
José Raúl Belmonte-Sánchez; Roberto Romero-González; José Luis Martínez Vidal; Francisco Javier Arrebola; Antonia Garrido Frenich
Source:
Food chemistry 2020 v.317 pp. 126363
ISSN:
0308-8146
Subject:
chemometrics; discriminant analysis; distillation; fermentation; least squares; liquid chromatography; mass spectrometry; metabolomics; nuclear magnetic resonance spectroscopy; prediction; principal component analysis; raw materials; rum
Abstract:
... ¹H NMR spectroscopy combined with chemometrics was applied for the first time for golden rum classification based on several factors as fermentation barrel, raw material, distillation method and aging. Principal component analysis (PCA) was used to assess the overall structure, and partial least square discriminant analysis (PLS-DA) was carried out for the analytical discrimination of rums. Additi ...
DOI:
10.1016/j.foodchem.2020.126363

5. 1H NMR chemometric models for classification of Czech wine type and variety

Author:
Anna Mascellani; Gokce Hoca; Marek Babisz; Pavel Krska; Pavel Kloucek; Jaroslav Havlik
Source:
Food chemistry 2021 v.339 pp. 127852
ISSN:
0308-8146
Subject:
chemometrics; classification; color; decision support systems; detection; food chemistry; fraud; models; nuclear magnetic resonance spectroscopy; sugar content; wine grapes; wines
Abstract:
... A set of 917 wines of Czech origin were analysed using nuclear magnetic resonance spectroscopy (NMR) with the aim of building and evaluating multivariate statistical models and machine learning methods for the classification of 6 types based on colour and residual sugar content, 13 wine grape varieties and 4 locations based on ¹H NMR spectra. The predictive models afforded greater than 93% correct ...
DOI:
10.1016/j.foodchem.2020.127852

6. 1H NMR combined with chemometrics for the rapid detection of adulteration in camellia oils

Author:
Ting Shi; MengTing Zhu; Yi Chen; XiaoLi Yan; Qian Chen; XiaoLin Wu; Jiangnan Lin; Mingyong Xie
Source:
Food chemistry 2018 v.242 pp. 308-315
ISSN:
0308-8146
Subject:
adulterated products; chemometrics; discriminant analysis; least squares; models; nuclear magnetic resonance spectroscopy; prediction; principal component analysis; rapid methods; vegetable oil
Abstract:
... Proton nuclear magnetic resonance (1H NMR) and chemometrics were employed to detect the adulteration of camellia oil (CAO) with 3 different cheap vegetable oils. With the intensity of 15 selected 1H NMR signals as input variables, principal component analysis (PCA) showed good group clustering results for pure and nonpure CAO, but unsatisfied identification accuracy for the adulterated oil types, ...
DOI:
10.1016/j.foodchem.2017.09.061

7. 1H NMR spectroscopy and chemometrics evaluation of non-thermal processing of orange juice

Author:
Elenilson G. Alves Filho; Francisca D.L. Almeida; Rosane S. Cavalcante; Edy S. de Brito; Patrick J. Cullen; Jesus M. Frias; Paula Bourke; Fabiano A.N. Fernandes; Sueli Rodrigues
Source:
Food chemistry 2016 v.204 pp. 102-107
ISSN:
0308-8146
Subject:
amino acids; aromatic compounds; chemometrics; cold; nonthermal processing; nuclear magnetic resonance spectroscopy; orange juice; organic acids and salts; ozone; principal component analysis; sugars
Abstract:
... This study evaluated the effect of atmospheric cold plasma and ozone treatments on the key compounds (sugars, amino acids and short chain organic acids) in orange juice by NMR and chemometric analysis. The juice was directly and indirectly exposed to atmospheric cold plasma field at 70kV for different treatment time (15, 30, 45 and 60sec). For ozone processing different loads were evaluated. The P ...
DOI:
10.1016/j.foodchem.2016.02.121

8. 1H NMR to analyse the lipid profile in the glyceride fraction of different categories of Iberian dry-cured hams

Author:
Abraham Pajuelo; Soledad Sánchez; Trinidad Pérez-Palacios; Daniel Caballero; Jesús Díaz; Teresa Antequera; Carlos F. Marcos
Source:
Food chemistry 2022 v.383 pp. 132371
ISSN:
0308-8146
Subject:
chemometrics; crossbreds; cured meats; food chemistry; fraud; ham; hydrolysis; lipid content; nuclear magnetic resonance spectroscopy; principal component analysis; swine; swine breeds; triacylglycerols
Abstract:
... The extraordinary organoleptic qualities of Iberian ham derive from the singular producing pig breed and from the traditional rearing conditions, both of which define its lipid content and composition. In this work ¹H NMR spectroscopy is used for the first time to analyse the lipid profile of Iberian hams as determinant of quality. Quantification of fatty acids is readily obtained from the spectra ...
DOI:
10.1016/j.foodchem.2022.132371

9. Adulteration detection of essence in sesame oil based on headspace gas chromatography-ion mobility spectrometry

Author:
Xinjing Dou; Liangxiao Zhang; Ruinan Yang; Xiao Wang; Li Yu; Xiaofeng Yue; Fei Ma; Jin Mao; Xiupin Wang; Peiwu Li
Source:
Food chemistry 2022 v.370 pp. 131373
ISSN:
0308-8146
Subject:
adulterated products; chemometrics; cooking fats and oils; discriminant analysis; food chemistry; headspace analysis; prices; principal component analysis; sesame oil; spectroscopy; China; South East Asia
Abstract:
... Sesame oil is a traditional and delicious edible oil in China and Southeast Asia with a high price. However, sesame oil essence was often illegally added to cheaper edible oils to counterfeit sesame oil. In this study, a rapid and accurate headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) method was proposed to detect the counterfeit sesame oil where the other cheap oils were adul ...
DOI:
10.1016/j.foodchem.2021.131373

10. Advance diversity of enzymatically modified arabinoxylan from wheat chaff

Author:
Tatjana Đorđević; Maja Milošević; Mirjana Antov
Source:
Food chemistry 2021 v.339 pp. 128093
ISSN:
0308-8146
Subject:
alpha-N-arabinofuranosidase; antioxidants; arabinoxylan; chaff; chemometrics; classification; enzymatic hydrolysis; feruloyl esterase; food chemistry; molecular weight; polymers; viscosity; wheat; xylanases
Abstract:
... Hydrolysates of arabinoxylan extracted from wheat chaff were prepared using different enzymatic treatments with an emphasis on improvements in their anti-diabetic, antioxidant and functional characteristics. The extracted arabinoxylan was subjected to enzymatic hydrolysis using individual xylanase, arabinofuranosidase, and feruloyl esterase, and their combinations. In all obtained hydrolysates, pe ...
DOI:
10.1016/j.foodchem.2020.128093

11. Advanced process analytical tools for identification of adulterants in edible oils – A review

Author:
E.J. Rifna; R. Pandiselvam; Anjineyulu Kothakota; K.V. Subba Rao; Madhuresh Dwivedi; Manoj Kumar; Rohit Thirumdas; S.V. Ramesh
Source:
Food chemistry 2022 v.369 pp. 130898
ISSN:
0308-8146
Subject:
chemometrics; chemotaxonomy; cooking fats and oils; electronic nose; electronic tongue; food chemistry; nuclear magnetic resonance spectroscopy; provenance; quality control
Abstract:
... This review summarizes the use of spectroscopic processes-based analytical tools coupled with chemometric techniques for the identification of adulterants in edible oil. Investigational approaches of process analytical tools such asspectroscopy techniques, nuclear magnetic resonance (NMR), hyperspectral imaging (HSI), e-tongue and e-nose combined with chemometrics were used to monitor quality of e ...
DOI:
10.1016/j.foodchem.2021.130898

12. Aliphatic organic acids as promising authenticity markers of bracatinga honeydew honey

Author:
Siluana Katia Tischer Seraglio; Greici Bergamo; Patricia Brugnerotto; Luciano Valdemiro Gonzaga; Roseane Fett; Ana Carolina Oliveira Costa
Source:
Food chemistry 2021 v.343 pp. 128449
ISSN:
0308-8146
Subject:
Mimosa scabrella; capillary electrophoresis; chemometrics; classification; detection; food chemistry; fraud; honeydew honey; models; principal component analysis
Abstract:
... This study aimed to differentiate bracatinga (Mimosa scabrella Bentham) honeydew honey (BHH) from blossom honeys and BHH intentionally adulterated, all of them from three harvests, associating data of aliphatic organic acids (AOA) determined by capillary electrophoresis and chemometric analyses. The profile and concentration of AOA in pure BHH were similar between harvests, but distinct from bloss ...
DOI:
10.1016/j.foodchem.2020.128449

13. Analysis of Scotch Whisky by 1H NMR and chemometrics yields insight into its complex chemistry

Author:
Will Kew; Ian Goodall; Dušan Uhrín
Source:
Food chemistry 2019 pp. 125052
ISSN:
0308-8146
Subject:
Scotch whisky; chemometrics; discriminant analysis; ethanol; least squares; malt; nuclear magnetic resonance spectroscopy; principal component analysis; provenance; reference standards; wood
Abstract:
... Scotch Whisky has been analysed as a complex mixture in its raw form using high resolution Nuclear Magnetic Resonance (NMR) and previously developed water and ethanol suppression techniques. This has allowed for the positive identification of 25 compounds in Scotch Whisky by means of comparison to reference standards, spike-in experiments, and advanced 1D and 2D NMR experiments. Quantification of ...
DOI:
10.1016/j.foodchem.2019.125052

14. Analysis of spreadable cheese by Raman spectroscopy and chemometric tools

Author:
Kamila de Sá Oliveira; Layce de Souza Callegaro; Rodrigo Stephani; Mariana Ramos Almeida; Luiz Fernando Cappa de Oliveira
Source:
Food chemistry 2016 v.194 pp. 441-446
ISSN:
0308-8146
Subject:
Raman spectroscopy; cheeses; chemometrics; confidence interval; detection limit; discriminant analysis; industry; least squares; models; screening; starch
Abstract:
... In this work, FT-Raman spectroscopy was explored to evaluate spreadable cheese samples. A partial least squares discriminant analysis was employed to identify the spreadable cheese samples containing starch. To build the models, two types of samples were used: commercial samples and samples manufactured in local industries. The method of supervised classification PLS-DA was employed to classify th ...
DOI:
10.1016/j.foodchem.2015.08.039

15. Analytical Raman spectroscopic study for discriminant analysis of different animal-derived feedstuff: Understanding the high correlation between Raman spectroscopy and lipid characteristics

Author:
Fei Gao; Lingzhi Xu; Yuejing Zhang; Zengling Yang; Lujia Han; Xian Liu
Source:
Food chemistry 2018 v.240 pp. 989-996
ISSN:
0308-8146
Subject:
Raman spectroscopy; cattle; chemometrics; discriminant analysis; feeds; fish meal; gas chromatography; lipids; poultry; sheep; spectral analysis; swine
Abstract:
... The objectives of the current study were to explore the correlation between Raman spectroscopy and lipid characteristics and to assess the potential of Raman spectroscopic methods for distinguishing the different sources of animal-originated feed based on lipid characteristics. A total of 105 lipid samples derived from five animal species have been analyzed by gas chromatography (GC) and FT-Raman ...
DOI:
10.1016/j.foodchem.2017.07.143

16. Anthocyanins as markers for the classification of Argentinean wines according to botanical and geographical origin. Chemometric modeling of liquid chromatography–mass spectrometry data

Author:
Pablo L. Pisano; María F. Silva; Alejandro C. Olivieri
Source:
Food chemistry 2015 v.175 pp. 174-180
ISSN:
0308-8146
Subject:
algorithms; anthocyanins; chemometrics; data collection; least squares; liquid chromatography; mass spectrometry; models; provenance; red wines
Abstract:
... A study of Argentinean red wines was performed by direct injection of untreated wine samples into a liquid chromatography–mass spectrometry system, processing the collected data with two chemometric algorithms: multivariate curve resolution with alternating least-squares and discriminant unfolded partial least-squares (D-UPLS). The objectives were: (1) the chemometric resolution of profiles in the ...
DOI:
10.1016/j.foodchem.2014.11.124

17. Applicability of PTR-MS in the quality control of saffron

Author:
Nikolaos Nenadis; Samuel Heenan; Maria Z. Tsimidou; Saskia Van Ruth
Source:
Food chemistry 2016 v.196 pp. 961-967
ISSN:
0308-8146
Subject:
chemometrics; mass spectrometry; monitoring; quality control; saffron; volatile organic compounds
Abstract:
... The applicability of the emerging non-destructive technique, proton transfer reaction mass spectrometry (PTR-MS), was explored for the first time in the quality control of saffron. Monitoring of volatile organic compounds (VOCs) was achieved using a minute sample (35mg). Fresh saffron was stored under selected conditions (25 and 40°C, aw=0.64) over a five weeks period to produce lower quality mate ...
DOI:
10.1016/j.foodchem.2015.10.032

18. Application of 1H NMR for the characterisation and authentication of ‘‘Tonda Gentile Trilobata” hazelnuts from Piedmont (Italy)

Author:
Augusta Caligiani; Jean Daniel Coisson; Fabiano Travaglia; Domenico Acquotti; Gerardo Palla; Luigi Palla; Marco Arlorio
Source:
Food chemistry 2014 v.148 pp. 77-85
ISSN:
0308-8146
Subject:
Corylus avellana; amino acids; chemometrics; cultivar identification; cultivars; genetic markers; hazelnuts; nuclear magnetic resonance spectroscopy; piedmont; statistical analysis; Italy
Abstract:
... The Italian hazelnut (Corylus avellana L.) cultivar “Tonda Gentile Trilobata” (TGT) is covered by protected geographical indication “Nocciola Piemonte” and is well-known as the best-suited hazelnut for the industrial transformation into roasted kernel. The hazelnut cultivar identification is primarily based on morphological characteristics, so there is the need for more objective analytical method ...
DOI:
10.1016/j.foodchem.2013.10.001
PubMed:
24262529

19. Application of 1H NMR for the characterisation of cocoa beans of different geographical origins and fermentation levels

Author:
Augusta Caligiani; Luigi Palla; Domenico Acquotti; Angela Marseglia; Gerardo Palla
Source:
Food chemistry 2014 v.157 pp. 94-99
ISSN:
0308-8146
Subject:
Theobroma cacao; chemometrics; cocoa beans; data collection; fermentation; metabolic studies; nuclear magnetic resonance spectroscopy; provenance; Ecuador
Abstract:
... This study reports for the first time the use of 1H NMR technique combined with chemometrics to study the metabolic profile of cocoa (Theobroma cacao L.) beans of different varieties, origin and fermentation levels. Results of PCA applied to cocoa bean 1H NMR dataset showed that the main factor influencing the cocoa bean metabolic profile is the fermentation level. In fact well fermented brown bea ...
DOI:
10.1016/j.foodchem.2014.01.116

20. Application of High Resolution-Continuum Source Flame Atomic Absorption Spectrometry (HR-CS FAAS): Determination of trace elements in tea and tisanes

Author:
Beatriz Paz-Rodríguez; María Raquel Domínguez-González; Manuel Aboal-Somoza; Pilar Bermejo-Barrera
Source:
Food chemistry 2015 v.170 pp. 492-500
ISSN:
0308-8146
Subject:
Aspalathus linearis; atomic absorption spectrometry; calcium; chemometrics; cluster analysis; cobalt; copper; detection limit; green tea; iron; macroalgae; manganese; nickel; principal component analysis; sodium; zinc
Abstract:
... A new application of HR-CS FAAS (High Resolution-Continuum Source Flame Atomic Absorption Spectrometry) has been developed for the determination of several trace elements (Ca, Co, Cu, Fe, Mn, Ni, Na and Zn) in infusions made from tea, rooibos and tea with seaweed samples. The proposed methods are fast, inexpensive and show good performances: the mean analytical recovery was approximately 100%. The ...
DOI:
10.1016/j.foodchem.2014.08.003

21. Application of Rapid Visco Analyser (RVA) viscograms and chemometrics for maize hardness characterisation

Author:
Anina Guelpa; Marta Bevilacqua; Federico Marini; Kim O’Kennedy; Paul Geladi; Marena Manley
Source:
Food chemistry 2015 v.173 pp. 1220-1227
ISSN:
0308-8146
Subject:
hardness; models; corn; least squares; particle size; endosperm; chemometrics; protein content; spectroscopy; prediction
Abstract:
... It has been established in this study that the Rapid Visco Analyser (RVA) can describe maize hardness, irrespective of the RVA profile, when used in association with appropriate multivariate data analysis techniques. Therefore, the RVA can complement or replace current and/or conventional methods as a hardness descriptor. Hardness modelling based on RVA viscograms was carried out using seven conve ...
DOI:
10.1016/j.foodchem.2014.10.149

22. Application of an advanced and wide scope non-target screening workflow with LC-ESI-QTOF-MS and chemometrics for the classification of the Greek olive oil varieties

Author:
Natasa P. Kalogiouri; Reza Aalizadeh; Nikolaos S. Thomaidis
Source:
Food chemistry 2018 v.256 pp. 53-61
ISSN:
0308-8146
Subject:
Olea europaea; ant colonies; apigenin; chemometrics; cultivars; databases; extra-virgin olive oil; information processing; luteolin; oleocanthal; principal component analysis; screening; vanillic acid
Abstract:
... An optimized and validated LC-ESI-QTOF-MS method with an integrated non-target screening workflow was applied in the investigation of the metabolomic profile of 51 Greek monovarietal extra virgin olive oils (EVOOs) from the varieties: Manaki, Ladoelia, Koroneiki, Amfissis, Chalkidikis and Kolovi. Data processing was carried out with the R language and XCMS package. A local database consisting of 1 ...
DOI:
10.1016/j.foodchem.2018.02.101

23. Application of chemometric techniques: An innovative approach to discriminate two seaweed cultivars by physico-functional properties

Author:
Albert Linton Charles; Mochammad Amin Alamsjah
Source:
Food chemistry 2019 v.289 pp. 269-277
ISSN:
0308-8146
Subject:
Kappaphycus alvarezii; Sargassum duplicatum; bulk density; chemometrics; cluster analysis; cultivars; discriminant analysis; emulsifying properties; macroalgae; multivariate analysis; novel foods; powders; principal component analysis; product development
Abstract:
... Chemometric techniques were employed to discriminate two Indonesian seaweed cultivars (Kappaphycus alvarezii and Sargassum duplicatum) based on their physico-functional properties. Data of physico-functional properties, including emulsifying activity and bulk density, were processed using multivariate, discriminant analysis (DA), principal component analysis (PCA), and cluster analysis (CA). Signi ...
DOI:
10.1016/j.foodchem.2019.03.051

24. Application of chemometrics in quality control of Turmeric (Curcuma longa) based on Ultra-violet, Fourier transform-infrared and 1H NMR spectroscopy

Author:
Haidy A. Gad; Amel Bouzabata
Source:
Food chemistry 2017 v.237 pp. 857-864
ISSN:
0308-8146
Subject:
Curcuma longa; Fourier transform infrared spectroscopy; bioactive properties; chemometrics; cluster analysis; essential oils; fatty acids; high performance liquid chromatography; principal component analysis; quality control; turmeric; ultraviolet-visible spectroscopy
Abstract:
... Turmeric (Curcuma longa L.) belongs to the family Zingiberaceae that is widely used as a spice in food preparations in addition to its biological activities. UV, FT-IR, 1H NMR in addition to HPLC were applied to construct a metabolic fingerprint for Turmeric in an attempt to assess its quality. 30 samples were analyzed, and then principal component analysis (PCA) and hierarchical clustering analys ...
DOI:
10.1016/j.foodchem.2017.06.022

25. Application of chemometrics to assess the influence of ultrasound frequency, Lactobacillus sakei culture and drying on beef jerky manufacture: Impact on amino acid profile, organic acids, texture and colour

Author:
K Shikha Ojha; Daniel Granato; Gaurav Rajuria; Francisco J. Barba; Joseph P. Kerry; Brijesh K. Tiwari
Source:
Food chemistry 2017 pp. -
ISSN:
0308-8146
Subject:
Lactobacillus sakei; amino acid composition; chemometrics; color; drying; manufacturing; marinating; meat jerky; nutrient content; organic acids and salts; physicochemical properties; principal component analysis; taurine; texture; ultrasonics
Abstract:
... The effects of ultrasound (US) frequency, addition of Lactobacillus sakei culture and drying time on key nutritional (protein, amino acids, and organic acids) and physicochemical properties (texture and colour) of cultured and uncultured beef jerky were evaluated. Cultured and uncultured jerky samples were subjected to US frequencies of 25 kHz, 33 kHz and 45 kHz for 30 min prior to marination and ...
DOI:
10.1016/j.foodchem.2017.06.124

26. Application of near infrared (NIR) spectroscopy coupled to chemometrics for dried egg-pasta characterization and egg content quantification

Author:
Marta Bevilacqua; Remo Bucci; Stefano Materazzi; Federico Marini
Source:
Food chemistry 2013 v.140 no.4 pp. 726-734
ISSN:
0308-8146
Subject:
chemometrics; cuisine; dried eggs; drying temperature; eggs; experimental design; manufacturing; models; near-infrared spectroscopy; nutritive value; pasta; sensory properties; traditional foods
Abstract:
... Dried egg pasta is an important and traditional food in the Italian cuisine, and the eggs in pasta improve its nutritional value and organoleptic properties. For this reason the percentage of eggs present in the products sold as “egg pasta” has to always be clearly reported in the label. In this respect, the present research addresses the possibility of developing a method which would allow fast, ...
DOI:
10.1016/j.foodchem.2012.11.018
PubMed:
23692759

27. Application of near-infrared spectroscopy/artificial neural network to quantify glycosylated norisoprenoids in Tannat grapes

Author:
Eduardo Boido; Laura Fariña; Francisco Carrau; Daniel Cozzolino; Eduardo Dellacassa
Source:
Food chemistry 2022 v.387 pp. 132927
ISSN:
0308-8146
Subject:
Vitis vinifera; chemometrics; food chemistry; glycosylation; grape juice; grapes; near-infrared spectroscopy; neural networks; nondestructive methods; norisoprenoids; odors; secondary metabolites; sensory evaluation; winemaking; wines
Abstract:
... Grape variety, vinification, and ageing are factors conditioning the aroma of a wine, with volatile secondary metabolites responsible for the so-called grape varietal character. Particularly, grape glycosylated norisoprenoids are mostly responsible for the sensory profile of Tannat wines, making relevant the use of fast instrumental tools to evaluate their concentration, allow classifying grapes a ...
DOI:
10.1016/j.foodchem.2022.132927

28. Application of spectroscopic techniques and chemometric methods to differentiate between true cinnamon and false cinnamon

Author:
Júlia Dos Santos Lopes; Amanda Beatriz Sales de Lima; Roberta Ribeiro da Cruz Cangussu; Marcondes Viana da Silva; Sibelli Passini Barbosa Ferrão; Leandro Soares Santos
Source:
Food chemistry 2022 v.368 pp. 130746
ISSN:
0308-8146
Subject:
antioxidant activity; chemometrics; cinnamon; coumarin; eugenol; food chemistry; spectroscopy; Brazil; Paraguay; Sri Lanka
Abstract:
... The objective of this study was to identify useful chemical markers for the differentiation of true and false cinnamon; to develop a fast and efficient method of differentiation using MIR associated with chemometric methods. A total of 129 cinnamon samples from 3 countries (Brazil, Sri Lanka, and Paraguay) were purchased, being differentiated by visual analysis. The bioactive compounds, antioxidan ...
DOI:
10.1016/j.foodchem.2021.130746

29. Application of terahertz spectroscopy imaging for discrimination of transgenic rice seeds with chemometrics

Author:
Wei Liu; Changhong Liu; Xiaohua Hu; Jianbo Yang; Lei Zheng
Source:
Food chemistry 2016 v.210 pp. 415-421
ISSN:
0308-8146
Subject:
Oryza sativa; chemometrics; genotype; image analysis; laws and regulations; least squares; neural networks; prediction; principal component analysis; rice; seeds; spectroscopy; support vector machines; transgenic plants
Abstract:
... Discrimination of genetically modified organisms is increasingly demanded by legislation and consumers worldwide. The feasibility of a non-destructive discrimination of transgenic rice seeds from its non-transgenic counterparts was examined by terahertz spectroscopy imaging system combined with chemometrics. Principal component analysis (PCA), least squares support vector machines (LS-SVM), PCA-ba ...
DOI:
10.1016/j.foodchem.2016.04.117

30. Applications of metabolomics in the research of soybean plant under abiotic stress

Author:
Zhe Feng; Chengqiao Ding; Weihao Li; Dachen Wang; Di Cui
Source:
Food chemistry 2020 v.310 pp. 125914
ISSN:
0308-8146
Subject:
abiotic stress; chemometrics; cold treatment; drought; food science; gas chromatography-mass spectrometry; genomics; heat; heavy metals; liquids; metabolites; metabolomics; multivariate analysis; nuclear magnetic resonance spectroscopy; proteomics; salinity; soybeans
Abstract:
... Qualitative and quantitative metabolomics analysis of all small-molecule metabolites in organisms is an emerging omics technology alongside genomics and proteomics. Plant metabolites are extremely diverse both within species and in terms of their physiological function. Plant metabolomics studies use mainly liquid/gas chromatography-mass spectrometry (LC/GC-MS) and nuclear magnetic resonance (NMR) ...
DOI:
10.1016/j.foodchem.2019.125914

31. Aroma effects of key volatile compounds in Keemun black tea at different grades: HS-SPME-GC-MS, sensory evaluation, and chemometrics

Author:
Dan Su; Jiao-Jiao He; Yan-Zhu Zhou; Ya-Li Li; Hong-Jie Zhou
Source:
Food chemistry 2022 v.373 pp. 131587
ISSN:
0308-8146
Subject:
black tea; chemometrics; discriminant analysis; flavor; food chemistry; gas chromatography-mass spectrometry; geraniol; headspace analysis; linalool; methyl salicylate; models; odors; sensory evaluation; solid phase microextraction
Abstract:
... The present study aimed to explore the relationship between the grade and the characteristic aroma in Keemun black tea (KBT). Headspace solid-phase microextraction (HS-SPME), gas chromatography-mass spectrometry (GC-MS), sensory evaluation, and chemometrics were employed to determine the changes in the flavor evolution of KBT at grade. The results showed that a total of 110 volatile components wer ...
DOI:
10.1016/j.foodchem.2021.131587

32. Arsenic, cadmium, lead and mercury content and health risk assessment of consuming freshwater fish with elements of chemometric analysis

Author:
Konrad Mielcarek; Patryk Nowakowski; Anna Puścion-Jakubik; Krystyna J. Gromkowska-Kępka; Jolanta Soroczyńska; Renata Markiewicz-Żukowska; Sylwia K. Naliwajko; Monika Grabia; Joanna Bielecka; Anita Żmudzińska; Justyna Moskwa; Elżbieta Karpińska; Katarzyna Socha
Source:
Food chemistry 2022 v.379 pp. 132167
ISSN:
0308-8146
Subject:
arsenic; atomic absorption spectrometry; cadmium; carcinogenicity; chemometrics; food chemistry; freshwater fish; health effects assessments; lead; mass spectrometry; mercury; risk; Poland
Abstract:
... The aim of the study was to assess arsenic (As), cadmium (Cd), lead (Pb), and mercury (Hg) contamination of freshwater fish from Poland. Selected species of raw, smoked, and pickled freshwater fish (n = 212) were evaluated by atomic absorption spectrometry (AAS) and inductively coupled plasma - mass spectrometry (ICP-MS). Assessment of health risk associated with intake of investigated elements pr ...
DOI:
10.1016/j.foodchem.2022.132167

33. Assessing the influence of temperature on NIRS prediction models for the determination of sodium content in dry-cured ham slices

Author:
M. Isabel Campos; Gregorio Antolin; Luis Debán; Rafael Pardo
Source:
Food chemistry 2018 v.257 pp. 237-242
ISSN:
0308-8146
Subject:
chemometrics; cured meats; least squares; models; near-infrared spectroscopy; prediction; sodium; temperature
Abstract:
... Temperature fluctuations are a key factor in the development of prediction models using near infrared spectroscopy (NIRS). In the present study, this influence has been investigated and a methodology has been proposed to reduce the effect of sample temperature on NIRS model prediction of the sodium content in dry-cured ham slices. Spectra were taken directly from the slices using a remote measurem ...
DOI:
10.1016/j.foodchem.2018.02.131

34. Assessing the varietal origin of extra-virgin olive oil using liquid chromatography fingerprints of phenolic compound, data fusion and chemometrics

Author:
Aadil Bajoub; Santiago Medina-Rodríguez; María Gómez-Romero; El Amine Ajal; María Gracia Bagur-González; Alberto Fernández-Gutiérrez; Alegría Carrasco-Pancorbo
Source:
Food chemistry 2017 v.215 pp. 245-255
ISSN:
0308-8146
Subject:
chemometrics; data collection; discriminant analysis; extra-virgin olive oil; fluorescence; fruits; high performance liquid chromatography; least squares; models; olives; prediction; principal component analysis
Abstract:
... High Performance Liquid Chromatography (HPLC) with diode array (DAD) and fluorescence (FLD) detection was used to acquire the fingerprints of the phenolic fraction of monovarietal extra-virgin olive oils (extra-VOOs) collected over three consecutive crop seasons (2011/2012-2013/2014). The chromatographic fingerprints of 140 extra-VOO samples processed from olive fruits of seven olive varieties, we ...
DOI:
10.1016/j.foodchem.2016.07.140

35. Assessment of the phytochemical profiles of novel hop (Humulus lupulus L.) cultivars: A potential route to beer crafting

Author:
DanDan Yan; Yong Foo Wong; Robert A. Shellie; Philip J. Marriott; Simon P. Whittock; Anthony Koutoulis
Source:
Food chemistry 2019 v.275 pp. 15-23
ISSN:
0308-8146
Subject:
Humulus lupulus; beers; bioaccumulation; brewing; chemometrics; cultivars; essential oils; esters; gas chromatography; genotype; hybrids; ketones; mass spectrometry; monoterpenoids; secondary metabolites; sesquiterpenoids
Abstract:
... This study investigated the volatile phytochemical diversity of 30 samples obtained from experimental hybrid and commercial H. lupulus L. plants. Essential oils distilled from these samples were analysed by high resolution gas chromatography coupled with accurate mass time-of-flight mass spectrometry (GC–accTOFMS). A total of 58 secondary metabolites, mainly comprising 18 esters, 6 monoterpene hyd ...
DOI:
10.1016/j.foodchem.2018.09.082

36. Assessment of the toxicity of two Aconitum herbal medicines by microcalorimetry and chemometrics

Author:
Weijun Kong; Jiabo Wang; Xiaohe Xiao; Qingce Zang; Yanling Zhao; Jianhe Wei; Shilin Chen; Meihua Yang
Source:
Food chemistry 2012 v.132 no.4 pp. 2054-2059
ISSN:
0308-8146
Subject:
Aconitum; Shigella dysenteriae; chemometrics; food matrix; herbal medicines; metabolism; nondestructive methods; toxicity
Abstract:
... In this study, a non-invasive and non-destructive microcalorimetric method was applied to assess the toxic effects of two Aconitum herbal medicines, Radix Aconitum Kusnezoffii and Radix A. carmichaeli, on the multiplying and non-multiplying metabolism of Shigella dysenteriae. Some crucial information, such as the thermogenic curves and thermo-kinetic parameters including growth rate constant k, in ...
DOI:
10.1016/j.foodchem.2011.12.047

37. Atmospheric pressure chemical ionisation mass spectrometry analysis linked with chemometrics for food classification – A case study: Geographical provenance and cultivar classification of monovarietal clarified apple juices

Author:
Heng-Hui Gan; Christos Soukoulis; Ian Fisk
Source:
Food chemistry 2014 v.146 pp. 149-156
ISSN:
0308-8146
Subject:
apple juice; apples; atmospheric pressure; carbonyl compounds; case studies; chemometrics; cultivars; data collection; ionization; mass spectrometry; provenance; spectral analysis; volatile compounds
Abstract:
... In the present work, we have evaluated for first time the feasibility of APCI-MS volatile compound fingerprinting in conjunction with chemometrics (PLS-DA) as a new strategy for rapid and non-destructive food classification. For this purpose 202 clarified monovarietal juices extracted from apples differing in their botanical and geographical origin were used for evaluation of the performance of AP ...
DOI:
10.1016/j.foodchem.2013.09.024
PubMed:
24176326

38. Attenuated Total Reflectance Fourier Transform Spectroscopy (ATR-FTIR) and chemometrics for discrimination of espresso coffees with different sensory characteristics

Author:
Verônica Belchior; Bruno Gonçalves Botelho; Leandro S. Oliveira; Adriana S. Franca
Source:
Food chemistry 2019 v.273 pp. 178-185
ISSN:
0308-8146
Subject:
Fourier transform infrared spectroscopy; chemometrics; coffee (beverage); models; sensory properties; spectral analysis
Abstract:
... Coffee cup quality, determined by the sensory attributes evaluated by professional tasters, is a decisive factor for evaluating coffee, with the “Specialty Coffee Association of America” (SCAA) classification being nowadays considered the most suitable. Panels of trained coffee tasters are used by the industry to describe and evaluate beverage quality, but those evaluations can be subjective and t ...
DOI:
10.1016/j.foodchem.2017.12.026

39. Attenuated Total Reflectance-Fourier transform infrared spectroscopy coupled with chemometrics for the rapid detection of coconut water adulteration

Author:
Thomas A. Teklemariam; John Moisey; Jason Gotera
Source:
Food chemistry 2021 v.355 pp. 129616
ISSN:
0308-8146
Subject:
added sugars; adulterants; adulterated products; chemometrics; coconut water; data collection; food chemistry; high fructose corn syrup; infrared spectroscopy; least squares; prediction; principal component analysis; rapid methods
Abstract:
... Attenuated Total Reflectance-Fourier Transform Infrared spectroscopy (ATR-FTIR), in combination with chemometrics, was explored as a rapid method of detecting sugar adulteration in coconut water. In a simulated experiment, coconut water was substituted with binary sugars, mixed sugars, and high fructose corn syrup and discriminated using the fingerprint infrared band region between 1200 and 950 cm ...
DOI:
10.1016/j.foodchem.2021.129616

40. Attenuated total reflectance Fourier transform (ATR-FTIR) spectroscopy and chemometrics for organic cinnamon evaluation

Author:
Andressa Rafaella da Silva Bruni; Vitória Maria Almeida Teodoro de Oliveira; Ana Sophia Tovar Fernandez; Otávio Akira Sakai; Paulo Henrique Março; Patrícia Valderrama
Source:
Food chemistry 2021 v.365 pp. 130466
ISSN:
0308-8146
Subject:
Fourier transform infrared spectroscopy; chemometrics; cinnamon; factor analysis; flavor; food chemistry; food consumption; organic foods; prices
Abstract:
... Organic food consumption has increased significantly over time. This contributes to the increased demand and price of this kind of food. Among the organic products, cinnamon stands out for its characteristic flavor and bioactive compounds. Thus, the work aimed to verify the potentials of attenuated total reflectance Fourier transform mid-infrared spectroscopy (ATR-FT-MIR) coupled with Parallel Fac ...
DOI:
10.1016/j.foodchem.2021.130466

41. Authentication of Iceland Moss (Cetraria islandica) by UPLC-QToF-MS chemical profiling and DNA barcoding

Author:
Maonian Xu; Starri Heidmarsson; Margret Thorsteinsdottir; Marco Kreuzer; Julie Hawkins; Sesselja Omarsdottir; Elin Soffia Olafsdottir
Source:
Food chemistry 2018 v.245 pp. 989-996
ISSN:
0308-8146
Subject:
Cetraria; DNA barcoding; barcoding; breads; chemometrics; chemotypes; herbal medicines; ingredients; lichens; soups; tea; Iceland
Abstract:
... The lichen Cetraria islandica or Iceland Moss is commonly consumed as tea, food ingredients (e.g. in soup or bread) and herbal medicines. C. islandica, which has two chemotypes, can be difficult to distinguish from the sister species Cetraria ericetorum. They are collectively referred to as the Cetraria islandica species complex. This study aimed to use an UPLC-QToF-MS chemical profiling together ...
DOI:
10.1016/j.foodchem.2017.11.073

42. Authentication of Italian PDO lard using NIR spectroscopy, volatile profile and fatty acid composition combined with chemometrics

Author:
L. Chiesa; S. Panseri; S. Bonacci; A. Procopio; A. Zecconi; F. Arioli; F.J. Cuevas; J.M. Moreno-Rojas
Source:
Food chemistry 2016 v.212 pp. 296-304
ISSN:
0308-8146
Subject:
chemometrics; data collection; fatty acid composition; fatty acids; food industry; fraud; lard; meat; models; near-infrared spectroscopy; protected designation of origin; volatile organic compounds
Abstract:
... This study analysed the usefulness of near infrared spectroscopy (NIRS), combined with volatile compound (VOC) and fatty acid (FA) analyses, for the authentication of the unique Italian Valle d’Aosta Arnad Protected Designation of Origin (PDO) lard. Ensuring the authenticity of high value meat products remains an emerging topic within the food sector. This study validated a FA, VOC and NIRS model ...
DOI:
10.1016/j.foodchem.2016.05.180

43. Authentication of Tunisian virgin olive oils by chemometric analysis of fatty acid compositions and NIR spectra. Comparison with Maghrebian and French virgin olive oils

Author:
S. Laroussi-Mezghani; P. Vanloot; J. Molinet; N. Dupuy; M. Hammami; N. Grati-Kamoun; J. Artaud
Source:
Food chemistry 2015 v.173 pp. 122-132
ISSN:
0308-8146
Subject:
chemometrics; fatty acid composition; fatty acid methyl esters; fatty acids; gas chromatography; near-infrared spectroscopy; protected designation of origin; squalene; virgin olive oil
Abstract:
... Six Tunisian virgin olive oil (VOO) varieties, Chemlali Sfax, Chetoui, Chemchali, Oueslati, Zarrazi and Zalmati, were characterised by two analytical methods. The gas chromatography allowed the determination of 14 fatty acids and squalene amounts. With fatty acids of each variety, a characteristic “morphotypes” for each oil variety was established. Chemlali Sfax and Zalmati showed strong similarit ...
DOI:
10.1016/j.foodchem.2014.10.002

44. Authentication of canned fish packing oils by means of Fourier transform infrared spectroscopy

Author:
Ana Dominguez-Vidal; Jaime Pantoja-de la Rosa; Luis Cuadros-Rodríguez; María José Ayora-Cañada
Source:
Food chemistry 2016 v.190 pp. 122-127
ISSN:
0308-8146
Subject:
Fourier transform infrared spectroscopy; canned fish; chemometrics; discriminant analysis; extra-virgin olive oil; fish; least squares; lipids; sunflower oil; vegetable oil
Abstract:
... The authentication of packing oil from commercial canned tuna and other tuna-like fish species was examined by means of attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) and chemometrics. Using partial least squares discriminant analysis (PLS-DA), it was possible to differentiate olive oil from seed oils. Discrimination of olive oil from high-oleic sunflower oil was po ...
DOI:
10.1016/j.foodchem.2015.05.064

45. Authentication of carioca common bean cultivars (Phaseolus vulgaris L.) using digital image processing and chemometric tools

Author:
Cláudia Domiciano Tormena; Rafaela Cassia Souza Campos; Gustavo Galo Marcheafave; Roy Edward Bruns; Ieda Spacino Scarminio; Elis Daiane Pauli
Source:
Food chemistry 2021 v.364 pp. 130349
ISSN:
0308-8146
Subject:
Phaseolus vulgaris; beans; chemometrics; cultivars; digital images; discriminant analysis; food chemistry; models; principal component analysis; quality control; trade
Abstract:
... Bean authentication can result in higher quality products for commerce. Partial least squares discriminant analysis (PLS-DA) was applied to digital images in order to develop a methodology that allows the non-destructive discrimination of three Phaseolus vulgaris L. cultivars (Agro ANfc9, IPR-Andorinha, and IPR-Sabiá) having different technological characteristics. Principal component analysis res ...
DOI:
10.1016/j.foodchem.2021.130349

46. Authentication of cocoa bean shells by near- and mid-infrared spectroscopy and inductively coupled plasma-optical emission spectroscopy

Author:
Luisa Mandrile; Letricia Barbosa-Pereira; Klavs Martin Sorensen; Andrea Mario Giovannozzi; Giuseppe Zeppa; Søren Balling Engelsen; Andrea Mario Rossi
Source:
Food chemistry 2019 v.292 pp. 47-57
ISSN:
0308-8146
Subject:
Fourier transform infrared spectroscopy; chemometrics; cocoa beans; elemental composition; models; principal component analysis; provenance; reflectance
Abstract:
... The aim of this study was to evaluate the efficacy of a multi-analytical approach for origin authentication of cocoa bean shells (CBS). The overall chemical profiles of CBS from different origins were characterized using diffuse reflectance near-infrared spectroscopy (NIRS) and attenuated total reflectance mid-infrared spectroscopy (ATR-FT-IR) for molecular composition identification, as well as i ...
DOI:
10.1016/j.foodchem.2019.04.008

47. Authentication of extra virgin Argan oil by selected-ion flow-tube mass-spectrometry fingerprinting and chemometrics

Author:
Mourad Kharbach; Huiwen Yu; Rabie Kamal; Ilias Marmouzi; Katim Alaoui; Joeri Vercammen; Abdelaziz Bouklouze; Yvan Vander Heyden
Source:
Food chemistry 2022 v.383 pp. 132565
ISSN:
0308-8146
Subject:
adulterated products; chemometrics; discriminant analysis; food chemistry; mass spectrometry; olive oil; sunflower oil; support vector machines; therapeutics
Abstract:
... Recognized for its nutritional and therapeutic use, extra-virgin Argan Oil (EVAO) is frequently adulterated. Selected-Ion Flow-Tube Mass Spectrometry (SIFT-MS) spectra were applied to quantify adulterants (i.e., Argan oil of lower quality (LQAO), olive oil (OO), and sunflower oil (SO)) in EVAO. Four data sets, i.e., using H₃O⁺, NO⁺, O₂⁺ reagent ions, and the combined data were considered. Soft ind ...
DOI:
10.1016/j.foodchem.2022.132565

48. Authentication of organic and conventional eggs by carotenoid profiling

Author:
Saskia van Ruth; Martin Alewijn; Karyne Rogers; Elizabeth Newton-Smith; Noelia Tena; Mirko Bollen; Alex Koot
Source:
Food chemistry 2011 v.126 no.3 pp. 1299-1305
ISSN:
0308-8146
Subject:
adulterated products; barns; chemometrics; chicken eggs; eggs; farms; markets; models; organic production; production technology; Netherlands; New Zealand
Abstract:
... Organic production benefits from fair competition and sustained consumer confidence. The latter can only be assured by paper trailing and verification assessments. Traditional analytical strategies for guaranteeing quality and uncovering adulteration have relied on the determination of the amount of a marker compound or compounds in a material and a subsequent comparison of the value(s) obtained w ...
DOI:
10.1016/j.foodchem.2010.11.081

49. Authentication of saffron spice accessions from its common substitutes via a multiplex approach of UV/VIS fingerprints and UPLC/MS using molecular networking and chemometrics

Author:
Nesrine M. Hegazi; Amira R. Khattab; Andrej Frolov; Ludger A. Wessjohann; Mohamed A. Farag
Source:
Food chemistry 2022 v.367 pp. 130739
ISSN:
0308-8146
Subject:
Carthamus tinctorius; chalcones; chemometrics; cinnamates; data collection; flavanones; flavor; food chemistry; glycosides; metabolites; quinic acid; saffron; spermidine; terpenoids
Abstract:
... Saffron is a spice revered for its unique flavor and health attributes often subjected to fraudulence. In this study, molecular networking as a visualization tool for UPLC/MS dataset of saffron and its common substitutes i.e. safflower and calendula (n = 21) was employed for determining genuineness of saffron and detecting its common substitutes i.e. safflower and calendula. Saffron was abundant i ...
DOI:
10.1016/j.foodchem.2021.130739

50. Authentication of the geographical origin of Maca (Lepidium meyenii Walp.) at different regional scales using the stable isotope ratio and mineral elemental fingerprints

Author:
Yuanyuan He; Qianqian Sun; Xiaowen Zhang; Xiaoping Bao; Yandan Wang; Mohsin Rasheed; Boli Guo
Source:
Food chemistry 2020 v.311 pp. 126058
ISSN:
0308-8146
Subject:
Lepidium meyenii; arsenic; cadmium; carbon; chemometrics; deuterium; iron; manganese; minerals; molybdenum; nitrogen; oxygen; provenance; stable isotopes; traceability; China; Peru
Abstract:
... Maca has shown broad application prospects as a new food resource. The function of maca is directly affected by its geographical origin, and an effective method for studying traceability must be established. This study aimed to discriminate maca from different regions at large scales (Peru and China) and small scales (Yunnan, Xinjiang, and Tibet in China) through geographical authentication using ...
DOI:
10.1016/j.foodchem.2019.126058

51. Authentication of the geographical origin of sesame seeds based on proximate composition, multi-element and volatile fingerprinting combined with chemometrics

Author:
Si Mi; Yuhang Wang; Xiangnan Zhang; Yaxin Sang; Xianghong Wang
Source:
Food chemistry 2022 v.397 pp. 133779
ISSN:
0308-8146
Subject:
chemical analysis; chemometrics; food chemistry; provenance; proximate composition; China; Ethiopia; Mozambique; Sudan
Abstract:
... The current study was designed to discriminate and authenticate sesame seeds cultivated in China, Togo, Sudan, Mozambique and Ethiopia. Fingerprinting analysis combined with chemometrics was applied to clarify the differences present in the chemical elements and volatiles of sesame seeds. Clear separations were observed among different groups of sesame seeds. Discrimination models were established ...
DOI:
10.1016/j.foodchem.2022.133779

52. Automatic and non-targeted analysis of the volatile profile of natural and alkalized cocoa powders using SBSE-GC-MS and chemometrics

Author:
Maribel Alexandra Quelal-Vásconez; Riccardo Macchioni; Greta Livi; Édgar Pérez-Esteve; María Jesús Lerma-García; Pau Talens; José Manuel Barat; Mikael Agerlin Petersen; Rasmus Bro
Source:
Food chemistry 2022 v.389 pp. 133074
ISSN:
0308-8146
Subject:
acetophenones; alkalinization; chemometrics; discriminant analysis; factor analysis; food chemistry; furfural; gas chromatography-mass spectrometry; principal component analysis; quality control; toluene; volatile compounds
Abstract:
... A total of 56 key volatile compounds present in natural and alkalized cocoa powders have been rapidly evaluated using a non-target approach using stir bar sorptive extraction gas chromatography mass spectrometry (SBSE-GC–MS) coupled to Parallel Factor Analysis 2 (PARAFAC2) automated in PARADISe. Principal component analysis (PCA) explained 80% of the variability of the concentration, in four PCs, ...
DOI:
10.1016/j.foodchem.2022.133074

53. Behaviour of Trolox with macromolecule-bound antioxidants in aqueous medium: Inhibition of auto-regeneration mechanism

Author:
Ecem Evrim Çelik; Jose Manuel Amigo Rubio; Vural Gökmen
Source:
Food chemistry 2018 v.243 pp. 428-434
ISSN:
0308-8146
Subject:
antagonism; antioxidant activity; antioxidants; chemometrics; dietary fiber; experimental design; mass spectrometry; multivariate analysis; olive oil; oxidation; pH; soybeans; vitamin E; wheat
Abstract:
... This work aimed at investigating the behaviour of Trolox, vitamin E analogue, in presence of macromolecule-bound antioxidants in aqueous radical medium. Three main groups of macromolecule-bound antioxidants were assayed: dietary fiber (DF), protein and lipid-bound antioxidants, represented by whole wheat, soybean and olive oil products, respectively. Experimental studies were carried out in aqueou ...
DOI:
10.1016/j.foodchem.2017.10.009

54. Bioactive compounds in cherry tomatoes (Solanum Lycopersicum var. Cerasiforme): Cultivation techniques classification by multivariate analysis

Author:
Mattia Rapa; Salvatore Ciano; Roberto Ruggieri; Giuliana Vinci
Source:
Food chemistry 2021 v.355 pp. 129630
ISSN:
0308-8146
Subject:
Solanum lycopersicum var. cerasiforme; chemometrics; cherries; classification; correlation; cost effectiveness; data collection; discriminant analysis; food chemistry; hydroponics; information; mathematical models; multivariate analysis; principal component analysis
Abstract:
... This study aimed to assess bioactive compounds contents in cherry tomatoes and classify samples according to cultivation techniques. Simple and cost-effective analyses were conducted on 128 samples cultivated using hydroponic, organic, and conventional practices. An HPLC-FD method was validated in-house for eight biogenic amines while antioxidants were evaluated using total phenolic content and an ...
DOI:
10.1016/j.foodchem.2021.129630

55. Biofortification quality in bananas monitored by energy-dispersive X-ray fluorescence and chemometrics

Author:
Marco Aurelio Sperança; Juan Esteban Mayorquín-Guevara; Mara Cristina Pessoa da Cruz; Gustavo Henrique de Almeida Teixeira; Fabíola Manhas Verbi Pereira
Source:
Food chemistry 2021 v.362 pp. 130172
ISSN:
0308-8146
Subject:
Musa; bananas; biofortification; chemometrics; diet; energy-dispersive X-ray analysis; food chemistry; staple foods; zinc
Abstract:
... Biofortification is a nutritional strategy used to enhance nutrients in a variety of staple foods. As bananas and plantains (Musa spp.) are considered staple food in many developing countries, monitoring zinc (Zn) content in biofortified bananas is crucial to ensure this mineral intake. Bananas were biofortified by injecting Zn sulfate heptahydrate (ZnSO₄·7H₂O) solutions into banana trees' pseudos ...
DOI:
10.1016/j.foodchem.2021.130172

56. Blends of olive oil and sunflower oil: Characterisation and olive oil quantification using fatty acid composition and chemometric tools

Author:
M. Monfreda; L. Gobbi; A. Grippa
Source:
Food chemistry 2012 v.134 no.4 pp. 2283-2290
ISSN:
0308-8146
Subject:
product authenticity; sunflower oil; quantitative analysis; fatty acid composition; olive oil; models; fatty acid esters; chemometrics; blended foods; prediction
Abstract:
... A method capable of recognising the percentage of olive oil in a blend is required to verify whether its labelling complies with the statements set out by the Commission Regulation (EC) No. 1019/2002. In this study an analytical methodology was developed in order to define blends of olive oil and sunflower oil, which contain 50% of olive oil, compared to blends with 40% and 60% of it, respectively ...
DOI:
10.1016/j.foodchem.2012.03.122
PubMed:
23442687

57. Botanical discrimination of Greek unifloral honeys with physico-chemical and chemometric analyses

Author:
Ioannis K. Karabagias; Anastasia V. Badeka; Stavros Kontakos; Sofia Karabournioti; Michael G. Kontominas
Source:
Food chemistry 2014 v.165 pp. 181-190
ISSN:
0308-8146
Subject:
acidity; chemometrics; color; discriminant analysis; electrical conductivity; gas chromatography; harvesting; honey; mass spectrometry; pH; prediction; solid phase microextraction; thyme; volatile compounds; Greece
Abstract:
... The aim of the present study was to investigate the possibility of characterisation and classification of Greek unifloral honeys (pine, thyme, fir and orange blossom) according to botanical origin using volatile compounds, conventional physico-chemical parameters and chemometric analyses (MANOVA and Linear Discriminant Analysis). For this purpose, 119 honey samples were collected during the harves ...
DOI:
10.1016/j.foodchem.2014.05.033

58. Capillary zone electrophoresis for fatty acids with chemometrics for the determination of milk adulteration by whey addition

Author:
Thiago de Oliveira Mendes; Brenda Lee Simas Porto; Maria José Valenzuela Bell; Ítalo Tuler Perrone; Marcone Augusto Leal de Oliveira
Source:
Food chemistry 2016 v.213 pp. 647-653
ISSN:
0308-8146
Subject:
adulterated products; capillary zone electrophoresis; chemometrics; correlation; dairy industry; discriminant analysis; fatty acid composition; fatty acids; fraud; gas chromatography; milk; physicochemical properties; quality control; whey
Abstract:
... Adulteration of milk with whey is difficult to detect because these two have similar physical and chemical characteristics. The traditional methodologies to monitor this fraud are based on the analysis of caseinomacropeptide. The present study proposes a new approach to detect and quantify this fraud using the fatty acid profiles of milk and whey. Fatty acids C14:0, C16:0, C18:0, C18:1, C18:2 and ...
DOI:
10.1016/j.foodchem.2016.07.035

59. Characterisation and classification of Greek pine honeys according to their geographical origin based on volatiles, physicochemical parameters and chemometrics

Author:
Ioannis K. Karabagias; Anastasia Badeka; Stavros Kontakos; Sofia Karabournioti; Michael G. Kontominas
Source:
Food chemistry 2014 v.146 pp. 548-557
ISSN:
0308-8146
Subject:
acidity; chemometrics; chromatography; color; discriminant analysis; electrical conductivity; harvesting; headspace analysis; honey; mass spectrometry; pH; prediction; sampling; volatile compounds; Greece
Abstract:
... The aim of the present study was to characterise and classify Greek pine honeys according to geographical origin, based on the determination of volatile compounds and physicochemical parameters using MANOVA and Linear Discriminant Analysis. Thirty-nine pine honey samples were collected during the harvesting period 2011 from 4 different regions in Greece known to produce good quality pine honey. Th ...
DOI:
10.1016/j.foodchem.2013.09.105
PubMed:
24176380

60. Characterisation of Serbian unifloral honeys according to their physicochemical parameters

Author:
Kristina B. Lazarević; Filip Andrić; Jelena Trifković; Živoslav Tešić; Dušanka Milojković-Opsenica
Source:
Food chemistry 2012 v.132 no.4 pp. 2060-2064
ISSN:
0308-8146
Subject:
Acacia; Helianthus annuus; acidity; chemometrics; discriminant analysis; electrical conductivity; honey; models; pH; principal component analysis; provenance; water content
Abstract:
... The characterisation of three unifloral Serbian honeys (acacia, sunflower and linden) was carried out based on some common physicochemical parameters (water content, electrical conductivity, free acidity, optical rotation and pH). A total of 201 honey samples, collected during the 2009 harvesting season, were analysed. Principal component analysis (PCA) and linear discriminant analysis (LDA) were ...
DOI:
10.1016/j.foodchem.2011.12.048

61. Characteristic fingerprint based on gingerol derivative analysis for discrimination of ginger (Zingiber officinale) according to geographical origin using HPLC-DAD combined with chemometrics

Author:
Soparat Yudthavorasit; Kanet Wongravee; Natchanun Leepipatpiboon
Source:
Food chemistry 2014 v.158 pp. 101-111
ISSN:
0308-8146
Subject:
Zingiber officinale; active ingredients; chemometrics; cluster analysis; discriminant analysis; ginger; high performance liquid chromatography; mathematical models; principal component analysis; product authenticity; provenance; quality control; China; India; Malaysia; Thailand; Vietnam
Abstract:
... Chromatographic fingerprints of gingers from five different ginger-producing countries (China, India, Malaysia, Thailand and Vietnam) were newly established to discriminate the origin of ginger. The pungent bioactive principles of ginger, gingerols and six other gingerol-related compounds were determined and identified. Their variations in HPLC profiles create the characteristic pattern of each or ...
DOI:
10.1016/j.foodchem.2014.02.086

62. Characterization and authentication of Spanish PDO wine vinegars using multidimensional fluorescence and chemometrics

Author:
Rocío Ríos-Reina; Saioa Elcoroaristizabal; Juan A. Ocaña-González; Diego L. García-González; José M. Amigo; Raquel M. Callejón
Source:
Food chemistry 2017 v.230 pp. 108-116
ISSN:
0308-8146
Subject:
chemometrics; factor analysis; fluorescence; fluorescence emission spectroscopy; fluorescent dyes; least squares; models; protected designation of origin; wine vinegars
Abstract:
... This work assesses the potential of multidimensional fluorescence spectroscopy combined with chemometrics for characterization and authentication of Spanish Protected Designation of Origin (PDO) wine vinegars. Seventy-nine vinegars of different categories (aged and sweet) belonging to the Spanish PDOs “Vinagre de Jerez”, “Vinagre de Montilla-Moriles” and “Vinagre de Condado de Huelva”, were analyz ...
DOI:
10.1016/j.foodchem.2017.02.118

63. Characterization and geographical discrimination of commercial Citrus spp. honeys produced in different Mediterranean countries based on minerals, volatile compounds and physicochemical parameters, using chemometrics

Author:
Ioannis K. Karabagias; Artemis P. Louppis; Sofia Karabournioti; Stavros Kontakos; Chara Papastephanou; Michael G. Kontominas
Source:
Food chemistry 2017 v.217 pp. 445-455
ISSN:
0308-8146
Subject:
Citrus; European Union; chemometrics; color; harvesting; honey; mineral content; minerals; physicochemical properties; provenance; volatile compounds; Egypt; Greece; Mediterranean region; Morocco; Spain
Abstract:
... The objective of the present study was: i) to characterize Mediterranean citrus honeys based on conventional physicochemical parameter values, volatile compounds, and mineral content ii) to investigate the potential of above parameters to differentiate citrus honeys according to geographical origin using chemometrics. Thus, 37 citrus honey samples were collected during harvesting periods 2013 and ...
DOI:
10.1016/j.foodchem.2016.08.124

64. Characterization and quantification of ginsenosides from the root of Panax quinquefolius L. by integrating untargeted metabolites and targeted analysis using UPLC-Triple TOF-MS coupled with UFLC-ESI-MS/MS

Author:
Li-Hua Chen; You-Bo Zhang; Xiu-Wei Yang; Wei Xu; Ying-Ping Wang
Source:
Food chemistry 2022 v.384 pp. 132466
ISSN:
0308-8146
Subject:
Panax quinquefolius; chemometrics; databases; food chemistry; functional foods; ginsenosides; metabolites
Abstract:
... The root of Panax quinquefolius L. (RPQ) is considered as an important functional food and rich in bioactive components, ginsenosides. To comprehensively characterize ginsenosides and evaluate the quality of RPQ from different sources, UPLC-Triple TOF-MS coupled with UFLC-ESI-MS/MS was applied to untargeted metabolites and targeted analysis for the first time. In untargeted metabolites analysis, a ...
DOI:
10.1016/j.foodchem.2022.132466

65. Characterization of Brazilian coffee based on isotope ratio mass spectrometry (δ13C, δ18O, δ2H, and δ15N) and supervised chemometrics

Author:
Chuan-yi Peng; Yan-ling Zhang; Wei Song; Hui-mei Cai; Yijun Wang; Daniel Granato
Source:
Food chemistry 2019 v.297 pp. 124963
ISSN:
0308-8146
Subject:
carbon; chemometrics; data analysis; discriminant analysis; mass spectrometry; nitrogen; oxygen; provenance; stable isotopes; support vector machines; Brazil
Abstract:
... Authentication of ground coffee has become an important issue because of fraudulent activities in the sector. In the current work, sixty-seven Brazilian coffees produced in different geographical origins using organic (ORG, n = 25) and conventional (CONV, n = 42) systems were analyzed for their stable isotope ratios (δ13C, δ18O, δ2H, and δ15N). Data were analyzed by inferential analysis to compare ...
DOI:
10.1016/j.foodchem.2019.124963

66. Characterization of Hatay honeys according to their multi-element analysis using ICP-OES combined with chemometrics

Author:
Yasin Yücel; Pınar Sultanoğlu
Source:
Food chemistry 2013 v.140 no.1-2 pp. 231-237
ISSN:
0308-8146
Subject:
chemometrics; cluster analysis; honey; mineral content; principal component analysis; spectroscopy; trace elements; variance
Abstract:
... Chemical characterisation has been carried out on 45 honey samples collected from Hatay region of Turkey. The concentrations of 17 elements were determined by inductively coupled plasma optical emission spectrometry (ICP-OES). Ca, K, Mg and Na were the most abundant elements, with mean contents of 219.38, 446.93, 49.06 and 95.91mgkg−1 respectively. The trace element mean contents ranged between 0. ...
DOI:
10.1016/j.foodchem.2013.02.046
PubMed:
23578638

67. Characterization of Spanish ciders by means of chemical and olfactometric profiles and chemometrics

Author:
Anna Picinelli Lobo; María José Antón-Díaz; Juan José Mangas Alonso; Belén Suárez Valles
Source:
Food chemistry 2016 v.213 pp. 505-513
ISSN:
0308-8146
Subject:
chemometrics; ciders; ethyl acetate; fatty acids; lactic acid; models; odor compounds; odors; olfactometry; p-cresol; prediction
Abstract:
... A comparative study of the aroma (volatile composition and olfactometric profiles) of Asturian and Basque still ciders in two maturation stages was conducted. Among the major volatile compounds, amyl alcohols, ethyl lactate and ethyl acetate were quantitatively relevant in all of the ciders studied. The minor fraction mainly consisted of fatty acids, volatile phenols and alcohols. Three PLS-discri ...
DOI:
10.1016/j.foodchem.2016.06.063

68. Characterization of blue cheese volatiles using fingerprinting, self-organizing maps, and entropy-based feature selection

Author:
Ryan High; Graham T. Eyres; Phil Bremer; Biniam Kebede
Source:
Food chemistry 2021 v.347 pp. 128955
ISSN:
0308-8146
Subject:
accuracy; blue cheese; chemometrics; data analysis; data collection; discriminant analysis; food chemistry; gas chromatography; mass spectrometry; models; prediction; product authenticity; research; solid phase microextraction
Abstract:
... Understanding which volatile compounds discriminate between products can be useful for quality, innovation or product authenticity purposes. As dataset size and dimensionality increase, linear chemometric techniques like partial least squares discriminant analysis and variable identification (PLS-DA-VID) may not identify the most discriminant compounds. This research compared the performance of se ...
DOI:
10.1016/j.foodchem.2020.128955

69. Characterization of herbal teas containing lime flowers – Tiliae flos by HPTLC method with chemometric analysis

Author:
Natalia Melnyk; Karolina A. Pawłowska; Maria Ziaja; Wojciech Wojnowski; Oleh Koshovyi; Sebastian Granica; Agnieszka Bazylko
Source:
Food chemistry 2021 v.346 pp. 128929
ISSN:
0308-8146
Subject:
Tilia cordata; chemometrics; food chemistry; markets; quality control; research; thin layer chromatography; Europe
Abstract:
... Linden trees are a source of food products called lime flowers (Tiliae flos), traditionally used in the form of infusion for the treatment of feverish colds and coughs. Lime flowers should include flowers of Tilia cordata Mill, T.x europaea L., and T. platyphyllos Scop. or a mixture of these. The aim of current research was to establish a fast, sensitive HPTLC (high-performance thin-layer chromato ...
DOI:
10.1016/j.foodchem.2020.128929

70. Characterization of selected Chinese soybean paste based on flavor profiles using HS-SPME-GC/MS, E-nose and E-tongue combined with chemometrics

Author:
Shanshan Yu; Xingyi Huang; Li Wang; Yi Ren; Xiaorui Zhang; Yu Wang
Source:
Food chemistry 2022 v.375 pp. 131840
ISSN:
0308-8146
Subject:
amino acids; chemometrics; electronic nose; electronic tongue; fermentation; flavor; food chemistry; gas chromatography-mass spectrometry; geographical distribution; headspace analysis; markets; nitrogen; prediction; salinity; solid phase microextraction; soybean paste; support vector machines; volatile organic compounds
Abstract:
... Headspace solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC/MS) with electronic nose (E-nose) and electronic tongue (E-tongue) was applied for flavor characterization of traditional Chinese fermented soybean paste. Considering geographical distribution and market representation, twelve kinds of samples were selected to investigate the feasibility. A total of 57 volatile ...
DOI:
10.1016/j.foodchem.2021.131840

71. Characterization of the binding of cyanidin-3-glucoside to bovine serum albumin and its stability in a beverage model system: A multispectroscopic and chemometrics study

Author:
Seyed Hossein Razavizadegan Jahromi; Reza Farhoosh; Bahram Hemmateenejad; Mehdi Varidi
Source:
Food chemistry 2020 v.311 pp. 126015
ISSN:
0308-8146
Subject:
anthocyanins; atomic force microscopy; beverages; binding sites; bovine serum albumin; chemometrics; circular dichroism spectroscopy; color; denaturation; differential scanning calorimetry; fluorescence; food colorants; hydrogen bonding; model food systems; oxidation; pH; spectral analysis; stoichiometry; temperature; ultraviolet-visible spectroscopy; van der Waals forces
Abstract:
... Anthocyanins as one of the main natural groups of food colorants undergo quick color fading, which can be diminished through protein association. The stabilization of cyanidin-3-glucoside (CYG) through binding to bovine serum albumin (BSA) was investigated at pH 3.0 using atomic force microscopy and differential scanning calorimetry along with UV–Vis absorption, steady-state fluorescence, circular ...
DOI:
10.1016/j.foodchem.2019.126015

72. Characterization of the chemical composition (mineral, lead and centesimal) in pine nut (Araucaria angustifolia (Bertol.) Kuntze) using exploratory data analysis

Author:
Emmanuelle Ferreira Requião Silva; Bruna Rosa da Silva Santos; Lucas Almir Cavalcante Minho; Geovani Cardoso Brandão; Márcio de Jesus Silva; Mariângela Vieira Lopes Silva; Walter Nei Lopes dos Santos; Ana Maria Pinto dos Santos
Source:
Food chemistry 2022 v.369 pp. 130672
ISSN:
0308-8146
Subject:
Araucaria angustifolia; carbohydrates; chemometrics; computer software; food chemistry; lead; mineral content
Abstract:
... In this study, mineral composition, centesimal composition and lead were evaluated in pine nut seeds (raw and cooked) from five Brazilian states. Mineral composition was determined by ICP OES and lead by GF AAS. The results for minerals were evaluated by Boxplot, PCA and HCA, using the R software. Average minerals in raw and cooked samples (mg 100 g⁻¹) were: 15.2 and 10.8 (Ca), 0.168 and 0.113 (Cu ...
DOI:
10.1016/j.foodchem.2021.130672

73. Characterization, classification and authentication of fruit-based extracts by means of HPLC-UV chromatographic fingerprints, polyphenolic profiles and chemometric methods

Author:
Naiara Pardo-Mates; Alex Vera; Sergio Barbosa; Míriam Hidalgo-Serrano; Oscar Núñez; Javier Saurina; Santiago Hernández-Cassou; Lluis Puignou
Source:
Food chemistry 2017 v.221 pp. 29-38
ISSN:
0308-8146
Subject:
adulterants; adulterated products; chemometrics; cranberries; fruits; high performance liquid chromatography; least squares; polyphenols; principal component analysis
Abstract:
... HPLC-UV was applied to the analysis and characterization of fruit-based and fruit-processed products. A Kinetex C18 reversed-phase column was proposed under gradient elution for the determination of 17 polyphenols. Acceptable sensitivity (LODs below 0.16mg/L), and good linearity (r2 higher than 0.995), precision (RSD below 6.8%), and method trueness (relative errors below 11%) were obtained. Data ...
DOI:
10.1016/j.foodchem.2016.10.033

74. Chemical and sensory profile of new genotypes of Brazilian Coffea canephora

Author:
Mayara Fumiere Lemos; Consuelo Perez; Pedro Henrique Pereira da Cunha; Paulo Roberto Filgueiras; Lucas Louzada Pereira; Aymbiré Francisco Almeida da Fonseca; Demian R. Ifa; Rodrigo Scherer
Source:
Food chemistry 2020 v.310 pp. 125850
ISSN:
0308-8146
Subject:
Coffea canephora; caffeine; chemical composition; chemometrics; chlorogenic acid; commercialization; cultivars; genotype; metabolites; sensory evaluation; sensory properties; sugars; trigonelline; world markets
Abstract:
... The study of Brazilian Conilon coffee genotypes with unknown chemical composition and sensory quality is extremely important since these data may contribute to the launching of new coffee cultivars in the international market with high cup quality. The present study aimed to investigate the metabolic profile of 3 genotypes of Conilon and compared them to Robusta Tropical and Arabica coffees, all c ...
DOI:
10.1016/j.foodchem.2019.125850

75. Chemical composition of thermally processed coconut water evaluated by GC–MS, UPLC-HRMS, and NMR

Author:
Aline G. Cunha; Elenilson G. Alves Filho; Lorena Mara A. Silva; Paulo Riceli V. Ribeiro; Tigressa Helena S. Rodrigues; Edy S. de Brito; Maria Raquel A. de Miranda
Source:
Food chemistry 2020 v.324 pp. 126874
ISSN:
0308-8146
Subject:
anthocyanins; chemical composition; chemometrics; coconut water; color; cytokinins; data collection; fructose; gas chromatography-mass spectrometry; glucose; ionization; nuclear magnetic resonance spectroscopy; palmitic acid; procyanidins; secondary metabolites; stearic acid
Abstract:
... Thermally-processed coconut water often develop a commercially-undesirable pink color, thus, NMR, UPLC-HRMS, GC–MS analyses combined with chemometrics approach were applied to evaluate chemical variations in comparison to tender water (control) that could explain such color change. Chemometrics on negative ionization mode dataset showed trimeric and A-type dimeric procyanidins, and caffeoylshikimi ...
DOI:
10.1016/j.foodchem.2020.126874

76. Chemical fingerprinting of Gardenia jasminoides Ellis by HPLC–DAD–ESI-MS combined with chemometrics methods

Author:
Yan Han; Jun Wen; Tingting Zhou; Guorong Fan
Source:
Food chemistry 2015 v.188 pp. 648-657
ISSN:
0308-8146
Subject:
Gardenia jasminoides; chemometrics; cluster analysis; fruits; high performance liquid chromatography; ionization; mass spectrometry; principal component analysis; quality control
Abstract:
... A fingerprint analysis method has been developed for characterization and discrimination of Gardenia jasminoides Ellis from different areas. The chemometrics methods including similarity evaluation, principal components analysis (PCA) and hierarchical clustering analysis (HCA) were introduced to identify more useful chemical markers for improving the quality control standard of dried ripe fruits o ...
DOI:
10.1016/j.foodchem.2015.05.039

77. Chemical profiling and discrimination of green tea and Pu-erh raw tea based on UPLC–Q–Orbitrap–MS/MS and chemometrics

Author:
Jiayi Zhong; Ning Chen; Sichen Huang; Xiaowei Fan; Yi Zhang; Dabing Ren; Lunzhao Yi
Source:
Food chemistry 2020 v.326 pp. 126760
ISSN:
0308-8146
Subject:
chemometrics; flavanols; green tea; herbs; ions; models; nitrogen; phenolic acids; physicochemical properties; tandem mass spectrometry
Abstract:
... To reveal the characteristic chemical profiles of Pu-erh raw tea (PRT) and traditional green tea (TGT), a high-throughput analytical method based on UPLC-Q-Orbitrap-MS/MS was proposed. 145 components were characterized with a three-level qualitative strategy and the integrated filtering strategy combining nitrogen rule, mass defect, and diagnostic ions information. 124 components were quantified u ...
DOI:
10.1016/j.foodchem.2020.126760

78. Chemometric analysis for discrimination of extra virgin olive oils from whole and stoned olive pastes

Author:
Michele De Luca; Donatella Restuccia; Maria Lisa Clodoveo; Francesco Puoci; Gaetano Ragno
Source:
Food chemistry 2016 v.202 pp. 432-437
ISSN:
0308-8146
Subject:
Fourier transform infrared spectroscopy; adulterated products; algorithms; chemometrics; cluster analysis; discriminant analysis; extra-virgin olive oil; models; olives; pastes; prediction; principal component analysis; volatile compounds
Abstract:
... Chemometric discrimination of extra virgin olive oils (EVOO) from whole and stoned olive pastes was carried out by using Fourier transform infrared (FTIR) data and partial least squares-discriminant analysis (PLS1-DA) approach. Four Italian commercial EVOO brands, all in both whole and stoned version, were considered in this study. The adopted chemometric methodologies were able to describe the di ...
DOI:
10.1016/j.foodchem.2016.02.018

79. Chemometric analysis of amino acid profiles for detection of fruit juice adulterations – Application to verify authenticity of blood orange juice

Author:
Emma A. Wistaff; Silvia Beller; Anton Schmid; John J. Neville; Thorben Nietner
Source:
Food chemistry 2021 v.343 pp. 128452
ISSN:
0308-8146
Subject:
adulterants; adulterated products; chemometrics; detection; food chemistry; fruits; glutamic acid; high performance liquid chromatography; multivariate analysis; orange juice; phenylalanine; principal component analysis; quality control; separation; valine
Abstract:
... In this work, fruit juices have been analyzed by high-performance liquid chromatography (HPLC) to measure whole amino acid profiles for various fruit types. The fruit juice authentication capabilities of whole amino acid profiles employed in various multivariate analysis methods including principal component analysis (PCA) and partial least squares (PLS) analysis have been investigated. PCA of the ...
DOI:
10.1016/j.foodchem.2020.128452

80. Chemometric approach to develop frying stable sunflower oil blends stabilized with oleoresin rosemary and ascorbyl palmitate

Author:
Rohit Upadhyay; Sneha Sehwag; Hari Niwas Mishra
Source:
Food chemistry 2017 v.218 pp. 496-504
ISSN:
0308-8146
Subject:
Rosmarinus officinalis; additives; chemometrics; diacylglycerols; free fatty acids; hybrids; palmitates; pan frying; polar compounds; polymers; principal component analysis; rosemary; sunflower oil; triacylglycerols
Abstract:
... The frying performance of sunflower oil blends (SOBs) stabilized with oleoresin rosemary (Rosmarinus officinalis L.) (ROSM) (200–1500mg/kg) and ascorbyl palmitate (AP) (100–300mg/kg) were tested for 18hopen pan-frying. Sunflower oil with TBHQ (SOTBHQ) (200mg/kg) and without additives (SOcontrol) served as positive and negative controls, respectively. The frying stability was monitored over time by ...
DOI:
10.1016/j.foodchem.2016.09.105

81. Chemometric approach to evaluate trace metal concentrations in some spices and herbs

Author:
Cennet Karadaş; Derya Kara
Source:
Food chemistry 2012 v.130 no.1 pp. 196-202
ISSN:
0308-8146
Subject:
arsenic; barium; black pepper; cadmium; calcium; chemometrics; chromium; cinnamon; cluster analysis; cobalt; copper; cumin; discriminant analysis; hot peppers; iron; magnesium; manganese; mint; nickel; principal component analysis; rosemary; spectroscopy; strontium; thyme; turmeric; zinc
Abstract:
... Herbs (mint, thyme and rosemary) and spices (black pepper, chili pepper, cinnamon, cumin, sweet red pepper and turmeric) were analysed using atomic spectrometry and then subjected to chemometric evaluation in an attempt to classify them using their trace metallic analyte concentrations (As, Ba, Ca, Cd, Co, Cr, Cu, Fe, Mg, Mn, Ni, Sr and Zn). Trace metals in acid digests of these materials were det ...
DOI:
10.1016/j.foodchem.2011.07.006

82. Chemometric approach to the optimization of HS-SPME/GC–MS for the determination of multiclass pesticide residues in fruits and vegetables

Author:
Lukman Bola Abdulra’uf; Guan Huat Tan
Source:
Food chemistry 2015 v.177 pp. 267-273
ISSN:
0308-8146
Subject:
chemometrics; computer software; correlation; experimental design; fruits; headspace analysis; multivariate analysis; pesticide residues; pesticides; solid phase microextraction; vegetables
Abstract:
... An HS-SPME method was developed using multivariate experimental designs, which was conducted in two stages. The significance of each factor was estimated using the Plackett–Burman (P–B) design, for the identification of significant factors, followed by the optimization of the significant factors using central composite design (CCD). The multivariate experiment involved the use of Minitab® statisti ...
DOI:
10.1016/j.foodchem.2015.01.031

83. Chemometric approaches for determining the geographical origin of Japanese Chardonnay wines using oxygen stable isotope and multi-element analyses

Author:
Fumikazu Akamatsu; Hideaki Shimizu; Sakura Hayashi; Aya Kamada; Yukari Igi; Kazuya Koyama; Osamu Yamada; Nami Goto-Yamamoto
Source:
Food chemistry 2022 v.371 pp. 131113
ISSN:
0308-8146
Subject:
Japan; chemometrics; food chemistry; oxygen; oxygen isotopes; principal component analysis; provenance; wines
Abstract:
... Determining the geographical origin of wines is a major challenge in wine authentication, but little information is available regarding non-parametric statistical approaches for wines. In this study, we collected 33 domestic Chardonnay wines vinified on a small scale from grapes cultivated in Japan, and 42 Chardonnay wines imported from 8 countries, for oxygen stable isotope and multi-element anal ...
DOI:
10.1016/j.foodchem.2021.131113

84. Chemometric authentication of farming systems of origin of food (milk and ripened cheese) using infrared spectra, fatty acid profiles, flavor fingerprints, and sensory descriptions

Author:
Matteo Bergamaschi; Claudio Cipolat-Gotet; Alessio Cecchinato; Stefano Schiavon; Giovanni Bittante
Source:
Food chemistry 2019 pp. -
ISSN:
0308-8146
Subject:
Fourier transform infrared spectroscopy; cheeses; chemometrics; cows; farming systems; farms; fatty acid composition; fatty acids; flavor; gas chromatography; mass spectrometry; milk; sensory evaluation; volatile organic compounds
Abstract:
... Milk samples from 1264 cows in 85 farms were authenticated for different farming-systems using a 10-fold cross-validated linear-discriminant-analysis using Fourier-transform infrared spectra (FTIRS) and gas-chromatographic fatty-acid (FA) profiles. FTIRS gave correct classification greater than FAs (97.4% vs. 81.1%) during calibration, but slightly worse in validation (73.5% vs 77.3%) and their co ...
DOI:
10.1016/j.foodchem.2019.125480

85. Chemometric authentication of the organic status of milk on the basis of trace element content

Author:
R. Rodríguez-Bermúdez; M. López-Alonso; M. Miranda; R. Fouz; I. Orjales; C. Herrero-Latorre
Source:
Food chemistry 2018 v.240 pp. 686-693
ISSN:
0308-8146
Subject:
arsenic; atomic absorption spectrometry; chemometrics; chromium; cluster analysis; cobalt; copper; milk; mineral content; neural networks; prediction; principal component analysis; selenium; zinc; Spain
Abstract:
... The objective of this study was to develop a method for authenticating organic milk samples in North Spain on the basis of its trace mineral composition. Fourteen elements in 98 samples were determined by inductively coupled plasma mass spectrometry. Although concentrations of Co, Cr, Cu, I, Se and Zn where statistically higher in conventional milk and As in organic, none of these elements by itse ...
DOI:
10.1016/j.foodchem.2017.08.011

86. Chemometric classification of Chinese lager beers according to manufacturer based on data fusion of fluorescence, UV and visible spectroscopies

Author:
Jin Tan; Rong Li; Zi-Tao Jiang
Source:
Food chemistry 2015 v.184 pp. 30-36
ISSN:
0308-8146
Subject:
beers; chemometrics; discriminant analysis; fluorescence; fluorescence emission spectroscopy; models; principal component analysis; synergism; wavelengths
Abstract:
... We report an application of data fusion for chemometric classification of 135 canned samples of Chinese lager beers by manufacturer based on the combination of fluorescence, UV and visible spectroscopies. Right-angle synchronous fluorescence spectra (SFS) at three wavelength difference Δλ=30, 60 and 80nm and visible spectra in the range 380–700nm of undiluted beers were recorded. UV spectra in the ...
DOI:
10.1016/j.foodchem.2015.03.085

87. Chemometric classification of Garcinia madruno raw material: Impact of the regional origin and ripeness stage of a neotropical exotic species

Author:
Luis Carrillo-Hormaza; Ana M. Ramírez; Edison Osorio
Source:
Food chemistry 2019 v.293 pp. 291-298
ISSN:
0308-8146
Subject:
Garcinia; Neotropics; active ingredients; benzophenones; chemometrics; flavonoids; fruits; introduced plants; metabolites; raw materials; trees
Abstract:
... Garcinia madruno is a neotropical tree characterized by its exotic fruit and its functional compounds. The aim of this study was to evaluate the expression and variability of the chemical markers of G. madruno according to the part of the plant used, the origin and the ripeness stage by applying chemometric tools. A total of 167 samples were evaluated, and 27 compounds were quantified per sample. ...
DOI:
10.1016/j.foodchem.2019.04.118

88. Chemometric contribution for deeper understanding of thermally-induced changes of polyphenolics and the formation of hydroxymethyl-L-furfural in chokeberry powders

Author:
Anna Michalska-Ciechanowska; Jessica Brzezowska; Aneta Wojdyło; Agnieszka Gajewicz-Skretna; Ewa Ciska; Joanna Majerska
Source:
Food chemistry 2021 v.342 pp. 128335
ISSN:
0308-8146
Subject:
anthocyanins; bioactive compounds; chemometrics; flavanols; flavonols; food chemistry; fruit juices; inulin; maltodextrins; procyanidins
Abstract:
... During fruit juice powdering process numerous alterations may occur as a result of interactions of native bioactives and carriers. The objective was to investigate the effect of carrier addition on the changes in polyphenols’ profile in chokeberry powders obtained by spray- (180 °C), vacuum- (50, 70, 90 °C) and freeze-drying and to evaluate the interactions between bioactives toward formation of p ...
DOI:
10.1016/j.foodchem.2020.128335

89. Chemometric design-based optimization of a green, selective and inexpensive switchable hydrophilicity solvent-based liquid phase microextraction procedure for pre-concentration and extraction of sulfadiazine in milk, honey and water samples

Author:
Nail Altunay
Source:
Food chemistry 2022 v.394 pp. 133540
ISSN:
0308-8146
Subject:
absorption; chemometrics; detection limit; food chemistry; honey; hydrophilicity; liquid-phase microextraction; milk; spectral analysis; standard deviation; sulfadiazine
Abstract:
... In this research, a green, selective and inexpensive switchable hydrophilicity solvent-based liquid phase microextraction (SHS-LPME) procedure has been optimized for the extraction and preconcentration of sulfadiazine (SDZ) in milk, honey and water samples prior to spectrophotometric analysis. Five variables affecting the SHS-LPME procedure were optimized using chemometric-based central composite ...
DOI:
10.1016/j.foodchem.2022.133540

90. Chemometric determination of the shelf life of opened cans using the migration of specific metals as quality indicators

Author:
G. Petropoulos; K.G. Raptopoulou; I.N. Pasias; N.S. Thomaidis; C. Proestos
Source:
Food chemistry 2017 pp. -
ISSN:
0308-8146
Subject:
arsenic; atomic absorption spectrometry; cadmium; cans; cardoons; chemometrics; chromium; cluster analysis; copper; corn; data collection; fungi; iron; lead; manganese; nickel; principal component analysis; red beans; shelf life; storage time; tin; tuna
Abstract:
... The aim of this work is the evaluation of quality indicators for the estimation of the shelf life of opened cans using the migration of specific metals as variables. For this reason the determination of targeted analytes such as: Cd, Pb, As, Cu, Cr, Ni, Fe, Mn and Sn in different canned samples (cardoon, tuna, green and red beans, corn, and fungi) by Electrothermal Atomic Absorption Spectrometry ( ...
DOI:
10.1016/j.foodchem.2017.06.041

91. Chemometric discrimination of the geographical origin of licorice in China by untargeted metabolomics

Author:
Youyuan Lu; Guangda Yao; Xuan Wang; Yang Zhang; Jianjun Zhao; Yong-Jie Yu; Hanqing Wang
Source:
Food chemistry 2022 v.380 pp. 132235
ISSN:
0308-8146
Subject:
algorithms; chemometrics; food chemistry; herbal medicines; licorice; metabolites; metabolomics; prediction; provenance; China
Abstract:
... Licorice is famous as a herbal medicine and food sweetener. This study provided a comprehensive strategy for investigating the quality of licorice based on untargeted metabolomics. A new strategy for identifying metabolite was developed, including fragment ion identification algorithm and ion fusion algorithm. The results showed that it can accurately integrate mass spectra from positive and negat ...
DOI:
10.1016/j.foodchem.2022.132235

92. Chemometric dissimilarity in nutritive value of popularly consumed Nigerian brown and white common beans

Author:
Oluwasayo Kehinde Moyib; Ganiyy Olasunkanmi Alashiri; Oluseyi Damilola Adejoye
Source:
Food chemistry 2015 v.166 pp. 576-584
ISSN:
0308-8146
Subject:
analysis of variance; calcium; chemometrics; color; genes; genetic distance; genetic improvement; green beans; iron; navy beans; nutrients; nutritive value; seed coat; soybeans; Nigeria
Abstract:
... Brown beans are the preferred varieties over the white beans in Nigeria due to their assumed richer nutrients. This study was aimed at assessing and characterising some popular Nigerian common beans for their nutritive value based on seed coat colour. Three varieties, each, of Nigerian brown and white beans, and one, each, of French bean and soybean were analysed for 19 nutrients. Z-statistics tes ...
DOI:
10.1016/j.foodchem.2014.06.069

93. Chemometric evaluation of enzymatic hydrolysis in the production of fish protein hydrolysates with acetylcholinesterase inhibitory activity

Author:
Thaysa Fernandes Moya Moreira; Luiz Gustavo Antunes Pessoa; Flavio Augusto Vicente Seixas; Rafael Porto Ineu; Odinei Hess Gonçalves; Fernanda Vitória Leimann; Ricardo Pereira Ribeiro
Source:
Food chemistry 2022 v.367 pp. 130728
ISSN:
0308-8146
Subject:
acetylcholinesterase; arginine; chemometrics; enzymatic hydrolysis; experimental design; fish; food chemistry; hydrolysis; peptides; principal component analysis
Abstract:
... Fish protein hydrolysates (FPH) obtained from industrial processing residues are sources of bioactive peptides. The enzymatic hydrolysis process is essential in obtaining specific bioactivities such as inhibition of the enzyme acetylcholinesterase (AChE). In this study the effect of different hydrolysis conditions on the properties of FPH to inhibit the enzyme acetylcholinesterase. A chemometric e ...
DOI:
10.1016/j.foodchem.2021.130728

94. Chemometric evaluation of trace metals in Prunus persica L. Batech and Malus domestica from Minićevo (Serbia)

Author:
Slađana Č. Alagić; Snežana B. Tošić; Mile D. Dimitrijević; Jelena V. Petrović; Dragana V. Medić
Source:
Food chemistry 2017 v.217 pp. 568-575
ISSN:
0308-8146
Subject:
Malus domestica; Prunus persica; analysis of variance; arsenic; bioaccumulation; cadmium; chemometrics; cluster analysis; copper; lead; nickel; soil; spectroscopy; zinc; Serbia
Abstract:
... The samples of spatial soils and different organs of Prunus persica L. Batech and Malus domestica were analyzed by methods such as inductively coupled plasma optical emission spectroscopy (ICP-OES), Hierarchical Cluster Analysis (HCA), One-way ANOVA, and calculation of biological accumulation factors (BAFs) with the aim of investigating whether these methods may help in the evaluation of trace met ...
DOI:
10.1016/j.foodchem.2016.09.006

95. Chemometric modeling of palate fullness in lager beers

Author:
Georg Krebs; Martina Gastl; Thomas Becker
Source:
Food chemistry 2021 v.342 pp. 128253
ISSN:
0308-8146
Subject:
beer quality; beers; chemometrics; food chemistry; gravity; guidelines; least squares; models; molecular weight; mouthfeel; palate; total nitrogen; variability; viscosity
Abstract:
... Palate fullness and mouthfeel of beer are key attributes of sensory beer quality. Non-volatile substances and molar mass fractions influence sensory perceptions of palate fullness and mouthfeel. However, systematic correlations between sensory attributes and native beer compounds have not been evaluated within the concentration range found in lager beer. This article reports a chemometric analysis ...
DOI:
10.1016/j.foodchem.2020.128253

96. Chemometric origin classification of Chinese garlic using sulfur-containing compounds, assisted by stable isotopes and bioelements

Author:
Jing Nie; Rui Weng; Chunlin Li; Xiuhua Liu; Fang Wang; Karyne M. Rogers; Yongzhong Qian; Yongzhi Zhang; Yuwei Yuan
Source:
Food chemistry 2022 v.394 pp. 133557
ISSN:
0308-8146
Subject:
chemometrics; food chemistry; food safety; garlic; provenance; sulfur; China
Abstract:
... Geographical origin discrimination of agro-products is essential to guarantee food safety and fair trade. Garlic samples cultivated in six provinces or major production regions in China were characterized for stable isotopes (δ¹³C, δ²H, δ¹⁸O, δ¹⁵N, and δ³⁴S), bioelemental contents (% C, % N and % S), and sulfur-containing compounds (8 organosulfur components and 2 amino acids). Results showed that ...
DOI:
10.1016/j.foodchem.2022.133557

97. Chemometric studies of the effects of milk fat replacement with different proportions of vegetable oils in the formulation of fat-filled milk powders: Implications for quality assurance

Author:
Kizito Kene Ejeahalaka; Stephen L.W. On
Source:
Food chemistry 2019 v.295 pp. 198-205
ISSN:
0308-8146
Subject:
Helianthus annuus; chemometrics; coconuts; dried milk; fatty acids; milk fat; milk substitutes; models; monitoring; powders; quality control; skim milk; soybeans; sunflower oil; unsaturated fats; vegetable oil
Abstract:
... Bovine milk lipids can be replaced with cheaper indigenous vegetable oils to produce milk alternatives with healthier saturated/unsaturated fat balance for those in areas where milk supply is poor or even absent. A wide range of vegetable oils can be used, but their impacts when blended with skimmed milk powder to formulate filled milk powder (FMP) are still unknown. We investigate the baseline va ...
DOI:
10.1016/j.foodchem.2019.05.120

98. Chemometric tools for food fraud detection: The role of target class in non-targeted analysis

Author:
O.Ye. Rodionova; A.L. Pomerantsev
Source:
Food chemistry 2020 v.317 pp. 126448
ISSN:
0308-8146
Subject:
adulterated products; chemometrics; data collection; discriminant analysis; food fraud; near-infrared spectroscopy; oregano
Abstract:
... The chemometric issues related to the application of non-targeted analysis for the detection of food frauds were analyzed employing discriminant analysis and a one-class classifier. The similarities and differences between the two methods were investigated. The results of classification are characterized by a set of indices called figures of merit. They comprehensively characterized the quality an ...
DOI:
10.1016/j.foodchem.2020.126448

99. Chemometric tools in the optimization of a microwave-assisted digestion procedure for guarana-based drink samples and data analysis from elemental, caffeine, and epicatechin contents

Author:
Vinnícius Henrique Cerqueira da Silva; André Luiz Sampaio da Silva junior; Ivon Pinheiro Lôbo; Erik Galvao Paranhos da Silva; Marcos Almeida Bezerra; Allison Gonçalves Silva; Luciano da Silva Lima; Raildo Mota de Jesus
Source:
Food chemistry 2021 v.365 pp. 130468
ISSN:
0308-8146
Subject:
acidity; caffeine; carbon; chemometrics; digestion; epicatechin; food chemistry; industrialization; microwave ovens; microwave treatment; reference standards; wet digestion method
Abstract:
... In this work, a method was developed for the determination of Na, K, Ca, Mg, P, S, Fe, Zn, Mn, and Cu by ICP OES and caffeine and epicatechin by HPLC-DAD in industrialized guarana-based beverages. The acid digestion in microwave oven was optimized by constrained mixture design. The optimum volumes found for the reagents were 2.60 mL (HNO₃), 1.80 mL (H₂O₂), and 0.60 mL (HCl) for a final volume of 1 ...
DOI:
10.1016/j.foodchem.2021.130468

100. Chemometric-assisted QuEChERS extraction method for the residual analysis of thiacloprid, spirotetramat and spirotetramat’s four metabolites in pepper: Application of their dissipation patterns

Author:
Shasha Li; Xingang Liu; Fengshou Dong; Jun Xu; Hanqing Xu; Mingfeng Hu; Yongquan Zheng
Source:
Food chemistry 2016 v.192 pp. 893-899
ISSN:
0308-8146
Subject:
chemometrics; half life; metabolites; models; pepper; statistical analysis; thiacloprid
Abstract:
... Chemometric tools equipped with a Plackett–Burman (P–B) design, a central composite design (CCD) and a desirability profile were employed to optimise the QuEChERS (quick, easy, cheap, effective, rugged and safe) method for the quantification of thiacloprid, spirotetramat and spirotetramat’s four metabolites in pepper. The average recoveries were in the range of 71.6–119.5%, with relative standard ...
DOI:
10.1016/j.foodchem.2015.07.122