AIMC Topic: Spectroscopy, Fourier Transform Infrared
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Integrative measurement analysis via machine learning descriptor selection for investigating physical properties of biopolymers in hairs.
Scientific reports
Dec 21, 2021
Integrative measurement analysis of complex subjects, such as polymers is a major challenge to obtain comprehensive understanding of the properties. In this study, we describe analytical strategies to extract and selectively associate compositional i...
Deep Learning for Reconstructing Low-Quality FTIR and Raman Spectra─A Case Study in Microplastic Analyses.
Analytical chemistry
Nov 22, 2021
Herein we report on a deep-learning method for the removal of instrumental noise and unwanted spectral artifacts in Fourier transform infrared (FTIR) or Raman spectra, especially in automated applications in which a large number of spectra have to be...
Classification of target tissues of Eisenia fetida using sequential multimodal chemical analysis and machine learning.
Histochemistry and cell biology
Nov 8, 2021
Acquiring comprehensive knowledge about the uptake of pollutants, impact on tissue integrity and the effects at the molecular level in organisms is of increasing interest due to the environmental exposure to numerous contaminants. The analysis of tis...
Spectroscopy and imaging technologies coupled with machine learning for the assessment of the microbiological spoilage associated to ready-to-eat leafy vegetables.
International journal of food microbiology
Oct 29, 2021
Based on both new and previously utilized experimental data, the present study provides a comparative assessment of sensors and machine learning approaches for evaluating the microbiological spoilage of ready-to-eat leafy vegetables (baby spinach and...
Polydopamine and silica nanoparticles magnetic solid phase extraction coupled with liquid chromatography-tandem mass spectrometry to determine phenolic acids and flavonoids in fruit wine.
Journal of food and drug analysis
Sep 15, 2021
Magnetic solid phase extraction (MSPE) have been widely applied in a variety of sample preparation techniques. Herein, FeO@pDA as the sorbents for MSPE, were developed for the determination of phenolic acids and flavonoids in fruit wine samples in co...
Rapid Assessment of Quality Changes in French Fries during Deep-frying Based on FTIR Spectroscopy Combined with Artificial Neural Network.
Journal of oleo science
Sep 8, 2021
Fourier transform infrared (FTIR) spectroscopy combined with backpropagation artificial neural network (BP-ANN) were utilized for rapid and simultaneous assessment of the lipid oxidation indices in French fries. The conventional indexes (i.e. total p...
Fast identification of off-target liabilities in early antibiotic discovery with Fourier-transform infrared spectroscopy.
Biotechnology and bioengineering
Aug 20, 2021
Structural modifications of known antibiotic scaffolds have kept the upper hand on resistance, but we are on the verge of not having antibiotics for many common infections. Mechanism-based discovery assays reveal novelty, exclude off-target liabiliti...
Functional Group Identification for FTIR Spectra Using Image-Based Machine Learning Models.
Analytical chemistry
Jun 30, 2021
Fourier transform infrared spectroscopy (FTIR) is a ubiquitous spectroscopic technique. Spectral interpretation is a time-consuming process, but it yields important information about functional groups present in compounds and in complex substances. W...
FTIR spectroscopy with machine learning: A new approach to animal DNA polymorphism screening.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jun 1, 2021
Technological advances in recent decades, especially in molecular genetics, have enabled the detection of genetic DNA markers associated with productive characteristics in animals. However, the prospection of polymorphisms based on DNA sequencing is ...
Machine learning applied to near-infrared spectra for clinical pleural effusion classification.
Scientific reports
May 3, 2021
Lung cancer patients with malignant pleural effusions (MPE) have a particular poor prognosis. It is crucial to distinguish MPE from benign pleural effusion (BPE). The present study aims to develop a rapid, convenient and economical diagnostic method ...
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