Search results for "attenuated total reflection"
showing 10 items of 67 documents
Origin based classification of crude oils by infrared spectrometry and chemometrics
2019
Abstract Crude oil samples from different Iranian petrol resources in both, raw and mixture forms have been characterized by attenuated total reflectance mid infrared spectroscopy. Obtained spectra were classified by chemometric techniques to propose a method for geological based classification of crude oil samples. Totally 251 samples from 7 petrol fields and 3 mixtures were analyzed. Mean centering and principal component analysis (PCA) supported – leverage value based outlier detection were used as preprocessing approaches. PCA, cluster analysis and soft independent modeling of class analogy (SIMCA) were utilized to classify the spectra. Obtained results confirmed that SIMCA is a robust …
Concept and setup for intraoperative imaging of tumorous tissue via Attenuated Total Reflection spectrosocopy with Quantum Cascade Lasers
2015
A major challenge in tumor surgery is the differentiation between normal and malignant tissue. Since an incompletely resected tumor easily leads to recidivism, the gold standard is to remove malignant tissue with a sufficient safety margin and send it to pathology for examination with patho-histological techniques (rapid section diagnosis). This approach, however, exhibits several disadvantages: The removal of additional tissue (safety margin) means additional stress to the patient; the correct interpretation of proper tumor excision relies on the pathologist’s experience and the waiting time between resection and pathological result can be more than 45 minutes. This last aspect implies unn…
Determination of quality parameters of beers by the use of attenuated total reflectance-Fourier transform infrared spectroscopy
2005
Abstract The estimation of important quality parameters of beers, such as original and real extracts and alcohol content, has been evaluated by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) using a partial least square (PLS) calibration approach. Two sample populations, one consisting of 24 samples and other of 21 samples, obtained from the Spanish market and covering different types of beer were used. The first set was used for building and validating the model, whereas the second, measured 6 months after, was used for evaluating its robustness. The spectral range and the size of the calibration set and its suitability for building the PLS model have been …
Preliminary studies about thermal degradation of edible oils through attenuated total reflectance mid-infrared spectrometry
2009
Abstract Degradation of edible oils during their heating process has been evaluated through the determination of cis -unsaturation and trans -fatty acids together with free fatty acids as a function of time and temperature heating. Two types of cooking oils, sunflower and seed (mixture of different seeds non-detailed), were heated at three different temperatures (147, 171 and 189 °C) during a total time of 1920 min (32 h) shared out in four sessions of 8 h each one, and samples were studied from their spectra obtained by Fourier transform infrared spectrometry using attenuated total reflectance measurements. A critical comparison between different multivariate calibration models built based…
Comparative study of reflectance cells for PLS-FTIR determination of sugars in soft drinks
1998
A comparative study has been carried out between a horizontal Attenuated Total Reflectance (h-ATR) cell and a Cylindrical Internal Reflection (CIR) cell (CIRCLE cell). Both cells were employed for the determination of glucose, fructose, sucrose and total sugar in soft drinks and fruit juices using absorbance measurements at two resolution values (4 and 8 cm–1). Data were processed by Partial Least Squares regression (PLS). Using a resolution of 4 cm–1, mean relative errors of prediction from 0.6% to 1.3% were obtained using the horizontal-ATR and from 0.6% to 2.8% using the CIRCLE cell resulting in a limit of detection from 0.03% in the case of sucrose to 0.21% for total sugar for the h-ATR…
Direct ATR-FTIR determination of sucrose in beet root.
2000
A simple and fast procedure has been developed for the direct determination of sucrose in beet root samples through attenuated total reflectance Fourier transform infrared absorbance measurements (ATR-FTIR) at 1056 cm(-1) with a baseline established between 1187 and 887 cm(-1). The method only requires a previous crushing or liquefaction of samples and it is free from matrix effects and from the interference of minoritary sugars and fermentation molecules. Aqueous solutions of sucrose can be used as standards and recovery values from 101 to 103% were found for spiked concentration levels from 3.5 to 10.5% (w/w). The limit of detection provided by this method corresponds to 0.15% (w/w) of su…
On-line gel permeation chromatography–attenuated total reflectance–Fourier transform infrared determination of lecithin and soybean oil in dietary su…
2007
Gel permeation chromatography (GPC) with attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometry detection has been proposed for the simultaneous determination of lecithin and soybean oil in dietary supplements. The method involves the extraction of analytes with dichloromethane in an ultrasound water bath and the injection of 2 ml of centrifuged and filtered extracts into the system integrated by two Envirogel GPC columns (19 mm x150 mm, 19 mm x 300 mm) coupled on-line. Dichloromethane was used as mobile phase. A method has been developed to select the most appropriated wavenumber to be used for the determination of each considered compound from the calculation of a…
Mid-infrared and Raman spectrometry for quality control of pesticide formulations
2005
This article deals with recent developments in the use of vibrational spectrometry for the quantitative analysis of active components in commercial pesticide formulations. We review the techniques, such as Fourier transform infrared (FTIR) and FT-Raman spectrometries, and measurement modes, such as stopped flow or flow injection. FTIR is being used increasingly in the determination of pesticides in agrochemical products because of its relatively short analysis time. However, FT-Raman spectrometry provides direct analysis of solid and aqueous samples. It is therefore clear that these techniques enable fast, non-destructive, precise and accurate measurements, so vibrational spectrometry appea…
Chemical and spectroscopic characteristics of the wood of Vitis vinifera cv. Sangiovese affected by esca disease.
2009
Chemical and spectroscopic analyses ((13)C cross-polarization-magic angle spinning NMR and attenuated total reflection Fourier transform infrared spectroscopies) were carried out on the wood of Vitis vinifera cv. Sangiovese with brown-red discoloration and black streaks caused by esca disease. The analyses of the brown-red wood revealed the destruction of hemicelluloses and noncrystalline cellulose as well as modifications in the pectic and ligninic wood fractions. The pectic fraction consisted of carbohydrates associated with polyphenols. The lignin fraction exhibited only a few changes in the aromatic systems and a partial demethylation, and it appeared to be associated with condensed phe…
ATR-FTIR spectroscopy for the routine quality control of exosome isolations
2021
Abstract Exosomes are nanosized vesicles containing specific cargos of DNA, RNA, proteins, metabolites, and intracellular and membrane lipids. Exosome isolation needs to be optimized carefully depending on the type of biofluid and tissue and the retrieved exosomes need to be characterized. The main objective of this study was to determine the feasibility of a multimodal analysis of Attenuated Total Reflectance – Fourier Transform Infrared (ATR-FTIR) spectroscopy and UPLC–QqTOF-MSMS for the development of a routine quality control tool of isolated exosomes and the rapid characterization of their lipid profiles and total protein content. Using human milk as model example, exosomes were isolat…