scholarly journals Author Correction: Rapid diagnosis of COVID-19 using FT-IR ATR spectroscopy and machine learning

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Marcelo Saito Nogueira ◽  
Leonardo Barbosa Leal ◽  
Wena Dantas Marcarini ◽  
Raquel Lemos Pimentel ◽  
Matheus Muller ◽  
...  
Keyword(s):  
Machine Learning ◽  
Rapid Diagnosis ◽  
Ft Ir ◽  
Atr Spectroscopy

Diffusion Measurements Using FT-IR ATR Spectroscopy: Lubricant Diffusion in Polypropylene

2002 ◽  
Vol 56 (4) ◽  
pp. 509-514 ◽  
Author(s):  
Xiaohua Yi ◽  
Karen Nerbonne ◽  
John Pellegrino
Keyword(s):  
Current Model ◽  
Mineral Oil ◽  
Attenuated Total Reflection ◽  
Lubricant Layer ◽  
Polymer Interfaces ◽  
Time Resolved ◽  
Polymer Sample ◽  
Ft Ir ◽  
Atr Spectroscopy ◽  
Poly Propylene

We present an experimental method for measuring diffusion of lubricants (or any highly viscous fluid) in polymers using Fourier transform infrared (FT-IR) attenuated total reflection (ATR) spectroscopy. Unlike the conventional FT-IR ATR diffusion measurement, in which a polymer sample is sandwiched between the penetrant and an internal reflection element (IRE), in this method, a thin layer of penetrant (for example, a lubricant) is sandwiched between the IRE and the polymer sample. This allows accurate control and measurement of the thickness of the lubricant layer, which, in turn, facilitates subsequent data analysis. The diffusion is studied by monitoring the time-resolved change in absorbance of either a unique polymer or penetrant band. A feature of this new method is that it can provide an estimate of solubility, as well as an estimate of the diffusivity of the penetrant in the polymer. Using this method, we studied the diffusion of mineral oil and a commercial fluorocarbon ether lubricant (Krytox® 143AC‡) in poly(propylene) (PP) film at room temperature. The experimental data was modeled using a Fickian model with impermeable and saturated boundary conditions applied at the IRE/lubricant and lubricant/polymer interfaces, respectively. The diffusivity and solubility of mineral oil in PP were found to be 1.34 ± 0.35 (×10−10) cm2/s and 0.77 ± 0.13 (×10−2) g/g of PP, respectively. The current model was unable to quantitatively describe the diffusion of the Krytox® 143AC in the PP, possibly due to excessive swelling.

Influence of interference effects on the spectral quality and histological classification by FT-IR imaging in transflection geometry

The Analyst ◽  
2021 ◽  
Author(s):  
Danuta Liberda ◽  
Paulina Koziol ◽  
Magda K. Raczkowska ◽  
Wojciech M. Kwiatek ◽  
Tomasz P. Wrobel
Keyword(s):  
Machine Learning ◽  
Learning Algorithms ◽  
Machine Learning Algorithms ◽  
Histological Classification ◽  
Spectral Quality ◽  
Interference Effects ◽  
Ir Imaging ◽  
Ft Ir ◽  
Non Destructive

Infrared (IR) imaging can be used for fast, accurate and non-destructive pathology recognition of biopsies when supported by machine learning algorithms regardless of the presence of interference effects obscuring the spectra.

scholarly journals Determination of Polymerization Degree of Maltooligosaccharides by FT-IR/ATR Spectroscopy.

2001 ◽  
Vol 48 (6) ◽  
pp. 401-408 ◽  
Author(s):  
Mikihito KANOU ◽  
Atsushi HASHIMOTO ◽  
Yasuhiko SHIINOKI ◽  
Kensuke ITO ◽  
Yoshitaka MOTONAGA ◽  
...  
Keyword(s):  
Polymerization Degree ◽  
Ft Ir ◽  
Atr Spectroscopy

Quantitative Analysis of Glucose Syrups by ATR/FT-IR Spectroscopy

1993 ◽  
Vol 47 (8) ◽  
pp. 1187-1191 ◽  
Author(s):  
F. De Lène Mirouze ◽  
J. C. Boulou ◽  
N. Dupuy ◽  
M. Meurens ◽  
J. P. Huvenne ◽  
...  
Keyword(s):  
Quantitative Analysis ◽  
Attenuated Total Reflectance ◽  
Infrared Spectrometry ◽  
Regression Methods ◽  
Ft Ir ◽  
The Fourier Transform ◽  
Main Components ◽  
Atr Spectroscopy ◽  
Time Required ◽  
Ft Ir Spectroscopy

Thanks to what has been achieved by the Fourier transform, infrared spectrometry can now become a state-of-the-art device in quality control laboratories if we consider its precision and the gain in time it ensures in comparison to results from traditional analytical methods such as chromatography. Moreover, the increasing number of new mathematical regression methods such as Partial Least-Squares (PLS) regression allows multicomponent quantitative analysis in mixtures. For instance, the analysis of the three main components (glucose, maltose, and fructose) of the dry substance which represents about 70% (w/v) in glucose syrups can be done with the use of Attenuated Total Reflectance (ATR) spectroscopy with a precision in the region of 3 to 5%, whereas the time required to obtain an analysis report is about five minutes. The high similarity between the glucose and the maltose may make the analysis difficult.

scholarly journals Changes in Structure and Content Humic Substances in Soil During the Laboratory Simulated Fires

2016 ◽  
Vol 11 (1) ◽  
pp. 42-48 ◽  
Author(s):  
Maroš Sirotiak ◽  
Alica Bartošová
Keyword(s):  
Humic Substances ◽  
Chemical Structure ◽  
Fulvic Acids ◽  
Spectroscopy Technique ◽  
Humic And Fulvic Acids ◽  
Chemical Laboratory ◽  
Laboratory Methods ◽  
Conventional Fractionation ◽  
Ft Ir ◽  
Atr Spectroscopy

Abstract The paper deals with the process of thermal degradation of humic substances in soil samples exposed to increased temperature. To determine the basic properties of humic substances, humic and fulvic acids are used conventional fractionation chemical laboratory methods. To determine changes in the chemical structure, the method of use of FT-IR ATR spectroscopy technique.

scholarly journals Rapid diagnosis of COVID-19 using FT-IR ATR spectroscopy and machine learning

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Marcelo Saito Nogueira ◽  
Leonardo Barbosa Leal ◽  
Wena Macarini ◽  
Raquel Lemos Pimentel ◽  
Matheus Muller ◽  
...  
Keyword(s):  
Machine Learning ◽  
High Throughput Screening ◽  
Cost Effective ◽  
Attenuated Total Reflection ◽  
Classification Model ◽  
Label Free ◽  
Nearest Neighbours ◽  
Reduction Strategies ◽  
Oropharyngeal Swab ◽  
Atr Spectroscopy

AbstractEarly diagnosis of COVID-19 in suspected patients is essential for contagion control and damage reduction strategies. We investigated the applicability of attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy associated with machine learning in oropharyngeal swab suspension fluid to predict COVID-19 positive samples. The study included samples of 243 patients from two Brazilian States. Samples were transported by using different viral transport mediums (liquid 1 or 2). Clinical COVID-19 diagnosis was performed by the RT-PCR. We built a classification model based on partial least squares (PLS) associated with cosine k-nearest neighbours (KNN). Our analysis led to 84% and 87% sensitivity, 66% and 64% specificity, and 76.9% and 78.4% accuracy for samples of liquids 1 and 2, respectively. Based on this proof-of-concept study, we believe this method could offer a simple, label-free, cost-effective solution for high-throughput screening of suspect patients for COVID-19 in health care centres and emergency departments.

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