Investigations of the ancient ceramic sherds excavated from Börükçü site in Muğla, south‐western Turkey, by ATR‐FTIR spectroscopy and statistical multivariate analysis

Archaeometry ◽  
2021 ◽  
Author(s):  
İlker Işık ◽  
İsmail Tarhan
Keyword(s):  
Multivariate Analysis ◽  
Ftir Spectroscopy ◽  
Western Turkey ◽  
Ancient Ceramic

ATR-FTIR spectroscopy and quantitative multivariate analysis of paints and coating materials

2014 ◽  
Vol 133 ◽  
pp. 207-213 ◽  
Author(s):  
Philippa Alice Hayes ◽  
Signe Vahur ◽  
Ivo Leito
Keyword(s):  
Multivariate Analysis ◽  
Ftir Spectroscopy ◽  
Coating Materials

IDENTIFICATION OF COFFEE BEANS USING FTIR-SPECTROSCOPY AND MULTIVARIATE ANALYSIS

2021 ◽  
Author(s):  
Д.А. МЕТЛЕНКИН ◽  
Ю.Т. ПЛАТОВ ◽  
Р.А. ПЛАТОВА ◽  
А.Е. РУБЦОВ ◽  
А.М. МИХАЙЛОВА
Keyword(s):  
Multivariate Analysis ◽  
Discriminant Analysis ◽  
Ir Spectra ◽  
Ftir Spectroscopy ◽  
Spectral Data ◽  
Calibration Model ◽  
Absorption Bands ◽  
Coffee Beans ◽  
The Matrix ◽  
Decaffeinated Coffee

Для идентификации кофе используют методы газовой и жидкостной хроматографии, которые дают точную и подробную информацию о его химическом составе, однако трудоемки, сложны по пробоподготовке и непригодны для оперативного мониторинга качества. Цель настоящего исследования – разработка и апробация метода идентификации кофе по ботаническому виду, географическому месту произрастания и обжарке с применением Фурье-ИК-спектроскопии и многомерного анализа. В качестве объектов исследования были образцы кофе в зернах, различающиеся по ботаническому виду (арабика/робуста), географическому месту произрастания (Азия/Америка/Африка) и обжарке (жареный/нежареный). Для разработки моделей идентификации кофе в зернах была сформирована база спектральных данных и применены методы многомерного анализа – метод главных компонент (МГК) и дискриминантный анализ (ДА). ИК-спектры образцов кофе регистрировали с помощью Фурье-ИК-спектрометра Bruker ALPHA с алмазным модулем НПВО в диапазоне 4000–400 см–1 при разрешающей способности спектрометра 2 см–1. Спектральные данные были экспортированы из встроенного программного обеспечения OPUS 7.3.5.0 в Excel. При анализе матрицы спектральных данных выявлены наиболее интенсивные полосы поглощения ИК-спектра, приписываемые наличию функциональных групп воды, липидов, полисахаридов, кофеина и хлорогеновой кислоты в кофе. При сравнении ИК-спектров образцов кофеина, декофеинизированного кофе и кофе в зернах выявлены полосы поглощения спектра, которые можно использовать для построения калибровочной модели содержания кофеина в составе кофе в зернах. По спектральным данным МГК построена многомерная модель градации образцов кофе в зависимости от ботанического вида и наличия обжарки. По матрице факторных нагрузок выявлены полосы поглощения спектра, объясняющие различия образцов по ботаническому виду и обжарке и вносящие наибольший вклад в разделение образцов кофе на группы. Методом ДА по 19 переменным – коэффициентам поглощения на волновых числах спектра разработана система классификационных функций градации образцов кофе по географическому месту произрастания. Доказано, что сочетание Фурье-ИК-спектроскопии с методами многомерного анализа можно использовать как быстрый и неразрушающий инструмент для идентификации кофе в зернах. Gas and liquid chromatography methods are used to identify coffee. They provide accurate and detailed information about its chemical composition; however they are time-consuming, complex in sample preparation and unsuitable for operational quality monitoring. The purpose of this study is to develop and test a method for identifying coffee by botanical species, geographical place of growth and roasting using FTIR-spectroscopy and multivariate analysis. Samples of coffee beans were selected as objects of research, differing in botanical type (Arabica/Robusta), geographical place of growth (Asia/America/Africa) and roasting (roasted/not roasted). To develop models for the identification of grain coffee, a spectral database was formed and the methods of multivariate analysis were applied: principal components analysis (PCA), discriminant analysis. The IR-spectra of coffee samples were recorded using a Bruker ALPHA FTIR-spectrometer with a diamond module in the range of 4000–400 cm–1 with a resolution of the spectrometer of 2 cm–1. Spectral data were exported from the OPUS 7.3.5.0 embedded software to Excel. During analysis the matrix of spectral data, the most intense absorption bands of the IR-spectrum were revealed, attributed to the presence of functional groups of water, lipids, polysaccharides, caffeine and chlorogenic acid in grain coffee. By comparison the IR spectra of the samples: caffeine, decaffeinated coffee and grain coffee, absorption bands of the spectrum were revealed, which can be used to build a calibration model of the caffeine content in the composition of coffee beans. Using PCA based on the spectral data, a multivariate model of the gradation of coffee by botanical type and depending on the roast was build. According to the matrix of factor loadings, absorption bands of the spectrum were revealed, explaining the differences between the samples in botanical type and roasting and making the greatest contribution to the division of coffee samples into groups. By the method of discriminant analysis using 19 variables – absorption coefficients at the wave numbers of the spectrum – a system of classification functions for the gradation of grain coffee samples according to the geographical place of growth has been developed. It is proved that the combination of FTIR-spectroscopy with multivariate analysis methods can be used as a fast and non-destructive tool for identifying coffee beans.

scholarly journals Detection of Cyanuric Acid and Melamine in Infant Formula Powders by Mid-FTIR Spectroscopy and Multivariate Analysis

2018 ◽  
Vol 2018 ◽  
pp. 1-7 ◽  
Author(s):  
Edwin García-Miguel ◽  
Ofelia Gabriela Meza-Márquez ◽  
Guillermo Osorio-Revilla ◽  
Darío Iker Téllez-Medina ◽  
Cristian Jiménez-Martínez ◽  
...  
Keyword(s):  
Multivariate Analysis ◽  
Ftir Spectroscopy ◽  
Least Squares ◽  
Infant Formula ◽  
Cyanuric Acid ◽  
Principal Component Regression ◽  
Predictive Ability ◽  
Principal Component ◽  
Infant Formulas ◽  
Chemometric Methods

Chemometric methods using mid-FTIR spectroscopy were developed in order to reduce the time of study of melamine and cyanuric acid in infant formulas. Chemometric models were constructed using the algorithms Partial Least Squares (PLS1, PLS2) and Principal Component Regression (PCR) in order to correlate the IR signal with the levels of melamine or cyanuric acid in the infant formula samples. Results showed that the best correlations were obtained using PLS1 (R2: 0.9998, SEC: 0.0793, and SEP: 0.5545 for melamine and R2: 0.9997, SEC: 0.1074, and SEP: 0.5021 for cyanuric acid). Also, the SIMCA model was studied to distinguish between adulterated formulas and nonadulterated samples, giving optimum discrimination and good interclass distances between samples. Results showed that chemometric models demonstrated a good predictive ability of melamine and cyanuric acid concentrations in infant formulas, showing that this is a rapid and accurate technique to be used in the identification and quantification of these adulterants in infant formulas.

Rapid Determination of Invert Cane Sugar Adulteration in Honey Using FTIR Spectroscopy and Multivariate Analysis

2003 ◽  
Vol 68 (6) ◽  
pp. 2040-2045 ◽  
Author(s):  
J. Irudayaraj ◽  
R. Xu ◽  
J. Tewari
Keyword(s):  
Multivariate Analysis ◽  
Ftir Spectroscopy ◽  
Rapid Determination ◽  
Cane Sugar

scholarly journals ATR-FTIR spectroscopy coupled with multivariate analysis techniques for the identification of DENV-3 in different concentrations in blood and serum: a new approach

RSC Advances ◽  
2017 ◽  
Vol 7 (41) ◽  
pp. 25640-25649 ◽  
Author(s):  
Marfran C. D. Santos ◽  
Yasmin M. Nascimento ◽  
Josélio M. G. Araújo ◽  
Kássio M. G. Lima
Keyword(s):  
Multivariate Analysis ◽  
Viral Load ◽  
Ftir Spectroscopy ◽  
Virus Infections ◽  
New Approach ◽  
Analysis Techniques

In most cases of virus infections the viral load is directly related to the intensity of the disease.

scholarly journals Identification and quantification of corncob as adulterant in corn dough and tortilla by MIR–FTIR spectroscopy and multivariate analysis

2013 ◽  
Vol 12 (1) ◽  
pp. 65-72 ◽  
Author(s):  
Andrés Piña-Barrera ◽  
Ofelia Gabriela Meza-Márquez ◽  
Guillermo Osorio-Revilla ◽  
Tzayhrí Gallardo-Velázquez
Keyword(s):  
Multivariate Analysis ◽  
Ftir Spectroscopy ◽  
Identification And Quantification

scholarly journals Detection of Lard in Ink Extracted from Printed Food Packaging Using Fourier Transform Infrared Spectroscopy and Multivariate Analysis

2015 ◽  
Vol 2015 ◽  
pp. 1-6 ◽  
Author(s):  
Syazwani Ramli ◽  
Rosnita A. Talib ◽  
Russly A. Rahman ◽  
Norhazlin Zainuddin ◽  
Siti Hajar Othman ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Multivariate Analysis ◽  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Ftir Spectroscopy ◽  
Food Packaging ◽  
Principal Component ◽  
Fourier Transform Infrared ◽  
Calibration Standards ◽  
Number Of Factors

Fourier transform infrared (FTIR) spectroscopy combined with chemometrics was utilised to discriminate the presence of lard in extracted ink of printed food packaging. Two spectral regions (full spectra, 3999–649 cm−1, and combination of two regions, 3110–2630 cm−1and 1940–649 cm−1) of lard, commercial gravure ink, and the blends of both were selected and used to develop a Soft Independent Modelling of Class Analogy (SIMCA) model. The score plots obtained from the Principal Component Analysis (PCA) revealed that the maximum number of factors (7 factors) was needed to explain 84% of the total variance. SIMCA was employed as the method to classify the samples into their specific groups.SiversusHiplots showed that the calibration standards can be classified as lard-containing standards. Sample 2 was deduced to have the highest possibility of containing lard, while only samples 5 and 7 cannot be classified as lard-containing samples. These results demonstrated that FTIR spectroscopy, when combined with multivariate analysis, can provide a rapid method with no excessive sample preparation to detect the presence of lard in ink of foodstuff packaging.

Differentiation of Anatolian honey samples from different botanical origins by ATR-FTIR spectroscopy using multivariate analysis

2015 ◽  
Vol 170 ◽  
pp. 234-240 ◽  
Author(s):  
Seher Gok ◽  
Mete Severcan ◽  
Erik Goormaghtigh ◽  
Irfan Kandemir ◽  
Feride Severcan
Keyword(s):  
Multivariate Analysis ◽  
Ftir Spectroscopy

scholarly journals Fourier Transform Infrared Spectroscopy as A Technique for Multivariate Analysis of Lard Adulteration in Food Products: A Review

2019 ◽  
Vol 17 (july 2019) ◽  
pp. 1-13
Author(s):  
Farah Wahida Harun
Keyword(s):  
Multivariate Analysis ◽  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Chemical Analysis ◽  
Ftir Spectroscopy ◽  
Fourier Transform Infrared Spectroscopy ◽  
Food Products ◽  
Complex Composition ◽  
Quality Of Food

The presence of lard in food products is prohibited (haram) for Muslim and a few other religions i.e. Judaism and Hinduism. Due to the advantages of lard such as easily available, cheap and able to produce better quality of food products, the adulteration of food products with lard has become a serious issue. The complex composition of food products and similar properties of lard as an adulterant make identification of food adulterations a big challenge. Chemical analysis is one way to authenticate the halal status of the food products which is based on the specific markers present or absent in the products they contain. This article highlights on the use ofFourier transform infrared (FTIR) spectroscopy to determine the presence of lard combined with multivariate analysis. This technique also able to quantify the amount of lard in the food products that are claimed to be halal.

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