scholarly journals Regional differences in clonal Japanese knotweed revealed by chemometrics-linked attenuated total reflection Fourier-transform infrared spectroscopy

2021 ◽  
Vol 21 (1) ◽  
Author(s):  
Claire A. Holden ◽  
Camilo L. M. Morais ◽  
Jane E. Taylor ◽  
Francis L. Martin ◽  
Paul Beckett ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Phenotypic Plasticity ◽  
Regional Differences ◽  
Fourier Transform Infrared ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Support Vector ◽  
Japanese Knotweed ◽  
Geographical Regions ◽  
The Uk

Abstract Background Japanese knotweed (R. japonica var japonica) is one of the world’s 100 worst invasive species, causing crop losses, damage to infrastructure, and erosion of ecosystem services. In the UK, this species is an all-female clone, which spreads by vegetative reproduction. Despite this genetic continuity, Japanese knotweed can colonise a wide variety of environmental habitats. However, little is known about the phenotypic plasticity responsible for the ability of Japanese knotweed to invade and thrive in such diverse habitats. We have used attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy, in which the spectral fingerprint generated allows subtle differences in composition to be clearly visualized, to examine regional differences in clonal Japanese knotweed. Results We have shown distinct differences in the spectral fingerprint region (1800–900 cm− 1) of Japanese knotweed from three different regions in the UK that were sufficient to successfully identify plants from different geographical regions with high accuracy using support vector machine (SVM) chemometrics. Conclusions These differences were not correlated with environmental variations between regions, raising the possibility that epigenetic modifications may contribute to the phenotypic plasticity responsible for the ability of R. japonica to invade and thrive in such diverse habitats.

scholarly journals Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy (ATR-FTIR) Combined with Chemometrics Methods for the Classification of Lingzhi Species

Molecules ◽  
2019 ◽  
Vol 24 (12) ◽  
pp. 2210 ◽  
Author(s):  
Yuan-Yuan Wang ◽  
Jie-Qing Li ◽  
Hong-Gao Liu ◽  
Yuan-Zhong Wang
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Fourier Transform Infrared Spectroscopy ◽  
Fourier Transform Infrared ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Support Vector ◽  
Test Set ◽  
Medicinal Mushrooms

Due to the existence of Lingzhi adulteration, there is a growing demand for species classification of medicinal mushrooms by various techniques. The objective of this study was to explore a rapid and reliable way to distinguish between different Lingzhi species and compare the influence of data pretreatment methods on the recognition results. To this end, 120 fresh fruiting bodies of Lingzhi were collected, and all of them were analyzed by attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR). Random forest (RF), support vector machine (SVM) and partial least squares discriminant analysis (PLS-DA) classification models were established for raw and pretreated second derivative (SD) spectral matrices to authenticate different Lingzhi species. The results of multivariate statistical analysis indicated that the SD preprocessing method displayed a higher classification ability, which may be attributed to the analysis of powder samples that requires removal of overlapping peaks and baseline shifts. Compared with RF, the results of the SVM and PLS-DA methods were more satisfying, and their accuracies for the test set were both 100%. Among SVM and PLS-DA, the training set and test set accuracy of PLS-DA were both 100%. In conclusion, ATR-FTIR spectroscopy data pretreated by SD combined with PLS-DA is a simple, rapid, non-destructive and relatively inexpensive method to discriminate between mushroom species and provide a good reference to quality assessment.

scholarly journals Distinguishing active from quiescent disease in ANCA-associated vasculitis using attenuated total reflection Fourier-transform infrared spectroscopy

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Adam D. Morris ◽  
Camilo L. M. Morais ◽  
Kássio M. G. Lima ◽  
Daniel L. D. Freitas ◽  
Mark E. Brady ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Unmet Need ◽  
Fourier Transform Infrared ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Remission Induction ◽  
Disease Remission ◽  
Anca Associated Vasculitis ◽  
Active Disease ◽  
Quiescent Disease

AbstractThe current lack of a reliable biomarker of disease activity in anti-neutrophil cytoplasmic autoantibody (ANCA) associated vasculitis poses a significant clinical unmet need when determining relapsing or persisting disease. In this study, we demonstrate for the first time that attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy offers a novel and functional candidate biomarker, distinguishing active from quiescent disease with a high degree of accuracy. Paired blood and urine samples were collected within a single UK centre from patients with active disease, disease remission, disease controls and healthy controls. Three key biofluids were evaluated; plasma, serum and urine, with subsequent chemometric analysis and blind predictive model validation. Spectrochemical interrogation proved plasma to be the most conducive biofluid, with excellent separation between the two categories on PC2 direction (AUC 0.901) and 100% sensitivity (F-score 92.3%) for disease remission and 85.7% specificity (F-score 92.3%) for active disease on blind predictive modelling. This was independent of organ system involvement and current ANCA status, with similar findings observed on comparative analysis following successful remission-induction therapy (AUC > 0.9, 100% sensitivity for disease remission, F-score 75%). This promising technique is clinically translatable and warrants future larger study with longitudinal data, potentially aiding earlier intervention and individualisation of treatment.

Analysis of Captan on Nitrile Glove Surfaces Using a Portable Attenuated Total Reflection Fourier Transform Infrared Spectrometer

2005 ◽  
Vol 59 (6) ◽  
pp. 724-731 ◽  
Author(s):  
R. N. Phalen ◽  
Shane S. Que Hee
Keyword(s):  
Fourier Transform ◽  
Fourier Transform Infrared ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Surface Films ◽  
Airflow Rate ◽  
Infrared Spectrometer ◽  
Ftir Spectrometer ◽  
Selection Of ◽  
Solvent Volume

This study developed a method to produce uniform captan surface films on a disposable nitrile glove for quantitation with a portable attenuated total reflection Fourier transform infrared (ATR-FTIR) spectrometer. A permeation test was performed using aqueous captan formulation. Uniform captan surface films were produced using solvent casting with 2-propanol and a 25 mm filter holder connected to a vacuum manifold to control solvent evaporation. The coefficient of variation of the reflectance at 1735 ± 5 cm−1 was minimized by selection of the optimum solvent volume, airflow rate, and evaporation time. At room temperature, the lower to upper quantifiable limits were 0.31–20.7 μg/cm2 ( r = 0.9967; p ≤ 0.05) for the outer glove surface and 0.55–17.5 μg/cm2 ( r = 0.9409; p ≤ 0.05) for the inner surface. Relative humidity and temperature did not affect the uncoated gloves at the wavelength of captan analysis. Glove screening using ATR-FTIR was necessary as a control for between-glove variation. Captan permeation, after 8 hours exposure to an aqueous concentration of 217 mg/mL of Captan 50-WP, was detected at 0.8 ± 0.3 μg/cm2 on the inner glove surface. ATR-FTIR can detect captan permeation and can determine the protectiveness of this glove in the field.

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