PLS-DA and data fusion of visible Reflectance, XRF and FTIR spectroscopy in the classification of mixed historical pigments

2022 ◽  
Vol 265 ◽  
pp. 120384
Author(s):  
Ana Luísa de Queiroz Baddini ◽  
Jorge Luiz Victor de Paula Santos ◽  
Raquel Reiner Tavares ◽  
Leticia Silva de Paula ◽  
Hiram da Costa Araújo Filho ◽  
...  
Keyword(s):  
Data Fusion ◽  
Ftir Spectroscopy ◽  
Visible Reflectance

HTS-FTIR spectroscopy allows the classification of polyphenols according to their differential effects on the MDA-MB-231 breast cancer cell line

The Analyst ◽  
2017 ◽  
Vol 142 (8) ◽  
pp. 1244-1257 ◽  
Author(s):  
A. Mignolet ◽  
V. Mathieu ◽  
E. Goormaghtigh
Keyword(s):  
Breast Cancer ◽  
Ftir Spectroscopy ◽  
Cell Line ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
Breast Cancer Cell Line ◽  
Cancer Cell Line ◽  
Differential Effects ◽  
Line P

FTIR-based classification of the effect of polyphenols on a breast cancer cell line.

Quantification of Lard in the Mixture with Olive Oil in Cream Cosmetics Based on FTIR Spectra and Chemometrics for Halal Authentication

2014 ◽  
Vol 69 (1) ◽  
Author(s):  
Abdul Rohman ◽  
Intan Gupitasari ◽  
Purwanto Purwanto ◽  
Kuwat Triyana ◽  
Arieff Salleh Rosman ◽  
...  
Keyword(s):  
Olive Oil ◽  
Ftir Spectroscopy ◽  
Multivariate Calibration ◽  
Virgin Olive Oil ◽  
Sampling Technique ◽  
Extra Virgin Olive Oil ◽  
Ftir Spectra ◽  
Halal Authentication ◽  
Extracting Solvent

The presence of lard (LD) in cosmetics products is a serious matter for certain religion, like Islam. The Muslim community is not allowed to use cosmetics products containing pig derivatives such as LD. Therefore, analysis of LD in cosmetics products is highly needed. The present study highlighted the employment of Fourier transform infrared (FTIR) spectroscopy in combination with chemometrics of multivariate calibration and principle component analysis (PCA) for quantitative analysis and classification of LD in the binary mixture with extra virgin olive oil (EVOO) as oil base in cream formulations for halal authentication. The lipid component in cream was extracted using liquid-liquid extraction using hexane as extracting solvent, and the lipid obtained was subjected to FTIR spectra measurement, using horizontal attenuated total reflectance as sampling technique. The result showed that FTIR spectroscopy in combination with partial least squares can be used to quantify the levels of LD in the mixture with EVOO in cosmetics creams using the combined frequency regions of 1785-702 cm-1 and 3020-2808 cm-1. PCA using absorbance intensities at 1200 – 1000 cm-1 as variables has been successfully used for the classification of cream with and without LD in the formulation. The developed method is rapid and not involving the excessive sample preparation.

Rapid determination and classification of crude oils by ATR-FTIR spectroscopy and chemometric methods

2020 ◽  
Vol 232 ◽  
pp. 118157 ◽  
Author(s):  
Mahsa Mohammadi ◽  
Mohammadreza Khanmohammadi Khorrami ◽  
Ali Vatani ◽  
Hossein Ghasemzadeh ◽  
Hamid Vatanparast ◽  
...  
Keyword(s):  
Ftir Spectroscopy ◽  
Rapid Determination ◽  
Crude Oils ◽  
Chemometric Methods

scholarly journals THE AUTHENTICATION OF VIRGIN COCONUT OIL FROM GRAPE SEED OIL AND SOYBEAN OIL USING FTIR SPECTROSCOPY AND CHEMOMETRICS

2019 ◽  
pp. 259-263 ◽  
Author(s):  
ABDUL ROHMAN ◽  
YAAKOB BIN CHE MAN ◽  
MD. EAKUB ALI
Keyword(s):  
Soybean Oil ◽  
Ftir Spectroscopy ◽  
Seed Oil ◽  
Multivariate Calibration ◽  
Coconut Oil ◽  
Grape Seed ◽  
Mean Square ◽  
Virgin Coconut Oil ◽  
Grape Seed Oil

Objective: The objective of this study was to develop Fourier transform infrared (FTIR) spectroscopy in combination with chemometrics of multivariate calibration and discriminant analysis (DA) for the authentication of virgin coconut oil (VCO) from grape seed oil (GSO) and soybean oil (SO). Methods: FTIR spectra of VCO, GSO, SO and its binary mixture of VCO-SO, and VCO-GSO were scanned at mid-infrared region (4000-650 cm-1) using attenuated total reflectance technique. The wavenumbers were selected based on its capability to provide the best prediction models for quantification and classification of adulterants in VCO assisted by multivariate calibrations and DA, respectively. Results: The results showed that partial least square (PLS) calibration using absorbance values at combined wavenumbers of 1200-900 and 3027-2985 cm-1 revealed reliable method for quantification of GSO in VCO, as indicated by high value of coefficient of determination (R2) and low value of root mean square of calibration (RMSEC) and root mean square error of prediction (RMSEP). PLS using FTIR spectra at the combined wavenumbers of 1200-1000 and 3025-2995 cm-1 was suitable for quantitative analysis of SO in VCO. DAwas also successfully used for classification of VCO and VCO added with adulterants of GSO and SO. Conclusion: FTIR spectroscopy in combination with chemometrics of multivariate calibration and DA offered effective tools for the authentication of VCO

scholarly journals Data fusion approaches in spectroscopic characterization and classification of PDO wine vinegars

Talanta ◽  
2019 ◽  
Vol 198 ◽  
pp. 560-572 ◽  
Author(s):  
Rocío Ríos-Reina ◽  
Raquel M. Callejón ◽  
Francesco Savorani ◽  
José M. Amigo ◽  
Marina Cocchi
Keyword(s):  
Data Fusion ◽  
Spectroscopic Characterization

Classification of Spanish extra virgin olive oils by data fusion of visible spectroscopic fingerprints and chemical descriptors

2013 ◽  
Vol 138 (2-3) ◽  
pp. 915-922 ◽  
Author(s):  
C. Pizarro ◽  
S. Rodríguez-Tecedor ◽  
N. Pérez-del-Notario ◽  
I. Esteban-Díez ◽  
J.M. González-Sáiz
Keyword(s):  
Data Fusion ◽  
Virgin Olive Oils ◽  
Olive Oils ◽  
Chemical Descriptors
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