scholarly journals Linkage Abundance and Molecular Weight Characteristics of Technical Lignins by Attenuated Total Reflection‐FTIR Spectroscopy Combined with Multivariate Analysis

ChemSusChem ◽  
2019 ◽  
Vol 12 (6) ◽  
pp. 1139-1146 ◽  
Author(s):  
Christopher S. Lancefield ◽  
Sandra Constant ◽  
Peter de Peinder ◽  
Pieter C. A. Bruijnincx
2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Emanuelly Bernardes-Oliveira ◽  
Daniel Lucas Dantas de Freitas ◽  
Camilo de Lelis Medeiros de Morais ◽  
Maria da Conceição de Mesquita Cornetta ◽  
Juliana Dantas de Araújo Santos Camargo ◽  
...  

Abstract Gestational diabetes mellitus (GDM) is a hyperglycaemic imbalance first recognized during pregnancy, and affects up to 22% of pregnancies worldwide, bringing negative maternal–fetal consequences in the short- and long-term. In order to better characterize GDM in pregnant women, 100 blood plasma samples (50 GDM and 50 healthy pregnant control group) were submitted Attenuated Total Reflection Fourier-transform infrared (ATR-FTIR) spectroscopy, using chemometric approaches, including feature selection algorithms associated with discriminant analysis, such as Linear Discriminant Analysis (LDA), Quadratic Discriminant Analysis (QDA) and Support Vector Machines (SVM), analyzed in the biofingerprint region between 1800 and 900 cm−1 followed by Savitzky–Golay smoothing, baseline correction and normalization to Amide-I band (~ 1650 cm−1). An initial exploratory analysis of the data by Principal Component Analysis (PCA) showed a separation tendency between the two groups, which were then classified by supervised algorithms. Overall, the results obtained by Genetic Algorithm Linear Discriminant Analysis (GA-LDA) were the most satisfactory, with an accuracy, sensitivity and specificity of 100%. The spectral features responsible for group differentiation were attributed mainly to the lipid/protein regions (1462–1747 cm−1). These findings demonstrate, for the first time, the potential of ATR-FTIR spectroscopy combined with multivariate analysis as a screening tool for fast and low-cost GDM detection.


RSC Advances ◽  
2020 ◽  
Vol 10 (40) ◽  
pp. 24073-24078
Author(s):  
Yaoyao Dong ◽  
Shaoxia Shi ◽  
Qi Li ◽  
Lingyan Zhang ◽  
Xiuzhu Yu

In this study, we developed a novel approach for determining a free fatty acid (FFA) in vegetable oils using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy.


2018 ◽  
Vol 10 (48) ◽  
pp. 5817-5822 ◽  
Author(s):  
Tianlong Zhang ◽  
Ting He ◽  
Chunhua Yan ◽  
Xinyu Gao ◽  
Junxiu Ma ◽  
...  

In situ ATR-FTIR combined with non-negative matrix factorization for investigating the synthesis reaction mechanism of 3-amino-4-aminoximefurazan.


RSC Advances ◽  
2017 ◽  
Vol 7 (65) ◽  
pp. 41004-41010 ◽  
Author(s):  
Zhaosheng Fan ◽  
Jianbo Chen ◽  
Wenji Guo ◽  
Fang Ma ◽  
Suqin Sun ◽  
...  

Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy was used to monitor the molecular diffusion processes of four anti-solvents in situ.


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