Chemometrics: Theory and Application

Santos, Hilton Túlio Lima dos; Oliveira, André Maurício de; Melo, Patrícia Gontijo de; Freitas, Wagner Zeferino de; Freitas, Ana Paula Rodrigues de

doi:10.5772/53866

Cited by 6 publications

(8 citation statements)

References 10 publications

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“…According to one of these definitions, the chemometrics is “a scientific discipline where chemistry and pharmaceutical science meet statistics and software” [ 8 ]. According to the International Chemometrics Society, chemometrics is “(i) the chemical discipline that uses mathematical and statistical methods to design or select optimal measurement procedures and experiments (ii) to provide maximum chemical information by analyzing chemical data” [ 9 ]. The commonly used methods of chemometrics or multivariate analysis are hierarchical and nonhierarchical cluster analysis, principal component analysis (PCA) for classification, multilinear regression (MLR), partial least square (PLS), and principal component regression (PCR) for multivariate regression [ 9 , 10 ].…”

Section: Chemometricsmentioning

confidence: 99%

“…The hierarchical cluster analysis is a method to evaluate the distance between samples and groups in a plot namely dendrogram. In this method, the different equations can be used to calculate the distance, such as Euclidean (equation ( 1 )) or Mahalanobis (equation ( 2 )) or Manhattan (equation ( 3 )) distance [ 9 ].

where X n and Y n are the coordinates of sample X and Y in the n th dimension of row space.…”

Section: Chemometricsmentioning

confidence: 99%

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The Combination of Vibrational Spectroscopy and Chemometrics for Analysis of Milk Products Adulteration

Windarsih

Rohman

Irnawati

et al. 2021

International Journal of Food Science

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Milk products obtained from cow, goat, buffalo, sheep, and camel as well as fermented forms such as cheese, yogurt, kefir, and butter are in a category of the most nutritious foods due to their high contents of high protein contributing to total daily energy intake. For certain reasons, high price milk products may be adulterated with low-quality ones or with foreign substances such as melamine and formalin which are added into them; therefore, a comprehensive review on analytical methods capable of detecting milk adulteration is needed. The objective of this narrative review is to highlight the use of vibrational spectroscopies (near infrared, mid infrared, and Raman) combined with multivariate analysis for authentication of milk products. Articles, conference reports, and abstracts from several databases including Scopus, PubMed, Web of Science, and Google Scholar were used in this review. By selecting the correct conditions (spectral treatment, normal versus derivative spectra at wavenumbers region, and chemometrics techniques), vibrational spectroscopy is a rapid and powerful analytical technique for detection of milk adulteration. This review can give comprehensive information for selecting vibrational spectroscopic methods combined with chemometrics techniques for screening the adulteration practice of milk products.

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Section: Chemometricsmentioning

confidence: 99%

where X n and Y n are the coordinates of sample X and Y in the n th dimension of row space.…”

Section: Chemometricsmentioning

confidence: 99%

The Combination of Vibrational Spectroscopy and Chemometrics for Analysis of Milk Products Adulteration

Windarsih

Rohman

Irnawati

et al. 2021

International Journal of Food Science

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“…1974'te kurulan Uluslararası Kemometri Topluluğu'na göre kabul edilen kemometri tanımı; uygun ölçme işlemleri ve deneylerin seçimi veya tasarımı için matematik ve istatistik yöntemlerini kullanan ve kimyasal verilerin analizinden maksimum bilgi sağlayan kimyasal bir disiplindir [6].…”

Section: Kemometri̇ni̇n Tanimi Ve Uygulama Alanlariunclassified

“…Sonraki aşama eldeki verilere benzer herhangi bir benzerlik bulmayı hedefleyen örüntü tanıma işlemidir. Bu işlem ''Temel Bileşen Analizi'' ve ''Hiyerarşik Kümeleme Analizi'' ile birlikte uygulanmaktadır [6].…”

Section: Duyusal Değerlendi̇rmelerde Kemometri̇k Yöntemleri̇n Kullanimiunclassified

Süt ve Ürünlerinin Duyusal Değerlendirmesinde Kemometrik Yaklaşımlar

Eminoğlu¹,

Şenel²

2019

Akademik Gıda

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Duyusal değerlendirme, insanların fiziksel ve kimyasal uyaranlara karşı tepkilerini ölçme şeklidir. Gıdaların duyusal değerlendirilmesinde insan duyuları ile elde edilen veriler tamamen kontrol edilememekte ve varyasyonlar ortaya çıkabilmektedir. Duyusal değerlendirmelerde doğru istatistiksel yöntemlerin kullanılması bu varyasyonları en aza indirerek daha sağlıklı sonuçlar almayı sağlamaktadır. Dolayısıyla duyusal değerlendirmelerden elde edilen sonuçların yorumlanmasında tek değişkenli istatistiksel yöntemlerden farklı olarak çok değişkenli istatistiksel yöntemlerin kullanılması daha uygun olmaktadır. Kemometri süt ve süt ürünlerinin üretim parametrelerinin kontrolü ve kalite değerlendirmesinde oldukça kullanışlı bir yöntemdir. Kemometrik analizler süt endüstrisinde ve araştırmalarında kimyasal analizler ile duyusal değerlendirmede sonuçlarının ilişkilendirilmesinde kullanılabilmektedir.

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“…Then, to find out the similarities or differences among samples based on the data set, a pattern recognition method is perform which includes the unsupervised pattern recognition method and the supervised pattern recognition method. (dos Santos et al, 2013)…”

Section: Chemometricsmentioning

confidence: 99%

Comparison of non-volatile compounds in fresh-squeezed juice from four lime cultivars using physicochemical and sensory properties

Korkitpoonpol

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Lime (Citrus aurantifolia) is classed as citrus fruit. In various Thai dishes, lime juice is one of the important ingredients due to its unique flavor (aroma and taste). The uniqueness of taste in citrus is from the balance of organic acids and sugars. Organic acids and sugars contribute sourness and sweetness in citrus while limonin and naringin contribute bitterness in citrus. Taste is one of the important criteria of eating quality and consumer acceptance. This study aimed to compare the fresh-squeezed juice from four lime cultivars i.e., ‘Pan Rumpai’, ‘Pan Puang’, ‘Pan Pichit’ (Citrus aurantifolia (Christm&Panz) Swingle ) and ‘Tahiti’ (Citrus latifolia Tanaka) using physicochemical properties and sensory evaluations. The analyses of non-volatile compounds i.e., organic acid (citric, malic, ascorbic, and succinic acids) contents, the sugar (sucrose, glucose, and fructose) contents, and the bitter compounds (limonin and naringin) were analyzed using liquid chromatography. Citric acid is the predominant acid in four lime cultivars, followed by malic, ascorbic, and succinic acids respectively. The predominant sugar is fructose followed by, sucrose and glucose. ‘Pan Puang’ and ‘Pan Rumpai’ had the highest organic acid contents and TA, while the highest sugar content, bitter compound (limonin) and TSS were found in ‘Tahiti’. ‘Pan Pichit’ had the lowest organic acids, sugars, bitter compound (limonin), TSS and TSS/TA. From Principal component analysis (PCA) and Hierarchical cluster analysis (HCA), fresh-squeezed lime juice samples could be separated into 3 clusters based on the similarity of samples; a cluster of ‘Tahiti’, a cluster of ‘Pan Pichit’ and a cluster of ‘Pan Puang and Pan Rumpai’. The higher organic acids content strongly associated with ‘Pan Puang’ and ‘Pan Rumpai’ cultivars than others. The higher sugar content, bitter compound, TSS, TSS/TA ratios and sweetness score were associated with ‘Tahiti’ lime than others, whereas ‘Pan Pichit’ cultivar negatively associated with the all non-volatile compound contents, physicochemical properties and sensory attributes from a descriptive analysis. From consumer acceptance test and preference ranking test performed by culinary students, ‘Pan Puang’ was the highest preference cultivar, while ‘Pan Pichit’ is the least preference cultivar.

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Chemometrics: Theory and Application

Cited by 6 publications

References 10 publications

The Combination of Vibrational Spectroscopy and Chemometrics for Analysis of Milk Products Adulteration

The Combination of Vibrational Spectroscopy and Chemometrics for Analysis of Milk Products Adulteration

Süt ve Ürünlerinin Duyusal Değerlendirmesinde Kemometrik Yaklaşımlar

Comparison of non-volatile compounds in fresh-squeezed juice from four lime cultivars using physicochemical and sensory properties

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