Csilla Molnár , Ariana Raluca Hategan , Dana Alina Magdas
{"title":"测试表面增强拉曼光谱在冷冻浆果的品种和种植系统鉴别方面的潜力","authors":"Csilla Molnár , Ariana Raluca Hategan , Dana Alina Magdas","doi":"10.1016/j.jfca.2024.106898","DOIUrl":null,"url":null,"abstract":"<div><div>A new, cost-effective method combining chemometrics with Surface-Enhanced Raman Scattering (SERS) was developed to differentiate various small berry fruits from Romanian markets and classify them according to the growing system (i.e. organic or conventional). Utilizing SERS data with Partial Least Squares-Discriminant Analysis (PLS-DA) we distinguished among four botanical groups (strawberry, raspberry, blackberry, blueberry) and identified 132 effective spectral markers, achieving 100 % accuracy in cross-validation. The PLS-DA analysis of SERS data yielded an 87 % accuracy score for classifying organic versus conventional farming systems, with sensitivity, specificity, and precision scores greater than 84 %. This classification model correctly predicted the farming system for 29 out of 33 samples, underscoring the relevance of the identified markers and the methodology’s efficacy for the rapid assessment of unknown samples.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106898"},"PeriodicalIF":4.0000,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Testing the potential of Surface-Enhanced Raman Spectroscopy for varietal and growing system discrimination of frozen berry fruits\",\"authors\":\"Csilla Molnár , Ariana Raluca Hategan , Dana Alina Magdas\",\"doi\":\"10.1016/j.jfca.2024.106898\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>A new, cost-effective method combining chemometrics with Surface-Enhanced Raman Scattering (SERS) was developed to differentiate various small berry fruits from Romanian markets and classify them according to the growing system (i.e. organic or conventional). Utilizing SERS data with Partial Least Squares-Discriminant Analysis (PLS-DA) we distinguished among four botanical groups (strawberry, raspberry, blackberry, blueberry) and identified 132 effective spectral markers, achieving 100 % accuracy in cross-validation. The PLS-DA analysis of SERS data yielded an 87 % accuracy score for classifying organic versus conventional farming systems, with sensitivity, specificity, and precision scores greater than 84 %. This classification model correctly predicted the farming system for 29 out of 33 samples, underscoring the relevance of the identified markers and the methodology’s efficacy for the rapid assessment of unknown samples.</div></div>\",\"PeriodicalId\":15867,\"journal\":{\"name\":\"Journal of Food Composition and Analysis\",\"volume\":\"137 \",\"pages\":\"Article 106898\"},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2024-10-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Food Composition and Analysis\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0889157524009323\",\"RegionNum\":2,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Food Composition and Analysis","FirstCategoryId":"97","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0889157524009323","RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
Testing the potential of Surface-Enhanced Raman Spectroscopy for varietal and growing system discrimination of frozen berry fruits
A new, cost-effective method combining chemometrics with Surface-Enhanced Raman Scattering (SERS) was developed to differentiate various small berry fruits from Romanian markets and classify them according to the growing system (i.e. organic or conventional). Utilizing SERS data with Partial Least Squares-Discriminant Analysis (PLS-DA) we distinguished among four botanical groups (strawberry, raspberry, blackberry, blueberry) and identified 132 effective spectral markers, achieving 100 % accuracy in cross-validation. The PLS-DA analysis of SERS data yielded an 87 % accuracy score for classifying organic versus conventional farming systems, with sensitivity, specificity, and precision scores greater than 84 %. This classification model correctly predicted the farming system for 29 out of 33 samples, underscoring the relevance of the identified markers and the methodology’s efficacy for the rapid assessment of unknown samples.
期刊介绍:
The Journal of Food Composition and Analysis publishes manuscripts on scientific aspects of data on the chemical composition of human foods, with particular emphasis on actual data on composition of foods; analytical methods; studies on the manipulation, storage, distribution and use of food composition data; and studies on the statistics, use and distribution of such data and data systems. The Journal''s basis is nutrient composition, with increasing emphasis on bioactive non-nutrient and anti-nutrient components. Papers must provide sufficient description of the food samples, analytical methods, quality control procedures and statistical treatments of the data to permit the end users of the food composition data to evaluate the appropriateness of such data in their projects.
The Journal does not publish papers on: microbiological compounds; sensory quality; aromatics/volatiles in food and wine; essential oils; organoleptic characteristics of food; physical properties; or clinical papers and pharmacology-related papers.