AIMC Topic: Spectrophotometry, Infrared
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Decoding myasthenia gravis: advanced diagnosis with infrared spectroscopy and machine learning.
Scientific reports
Aug 20, 2024
Myasthenia Gravis (MG) is a rare neurological disease. Although there are intensive efforts, the underlying mechanism of MG still has not been fully elucidated, and early diagnosis is still a question mark. Diagnostic paraclinical tests are also time...
Neural Network Based Aliasing Spectral Decoupling Algorithm for Precise Mid-Infrared Multicomponent Gases Sensing.
ACS sensors
Aug 16, 2024
Owing to the overlapping and cross-interference of absorption lines in multicomponent gases, the simultaneous measurement of such gases via laser absorption spectroscopy frequently necessitates the use of supplementary pressure sensors to distinguish...
QCL Infrared Spectroscopy Combined with Machine Learning as a Useful Tool for Classifying Acetaminophen Tablets by Brand.
Molecules (Basel, Switzerland)
Jul 28, 2024
The development of new methods of identification of active pharmaceutical ingredients (API) is a subject of paramount importance for research centers, the pharmaceutical industry, and law enforcement agencies. Here, a system for identifying and class...
Optimization of mid-infrared noninvasive blood-glucose prediction model by support vector regression coupled with different spectral features.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jun 26, 2024
Mid-infrared spectral analysis of glucose in subcutaneous interstitial fluid has been widely employed as a noninvasive alternative to the standard blood-glucose detection requiring blood-sampling via skin-puncturing, but improving the confidence leve...
Unraveling dynamic protein structures by two-dimensional infrared spectra with a pretrained machine learning model.
Proceedings of the National Academy of Sciences of the United States of America
Jun 25, 2024
Dynamic protein structures are crucial for deciphering their diverse biological functions. Two-dimensional infrared (2DIR) spectroscopy stands as an ideal tool for tracing rapid conformational evolutions in proteins. However, linking spectral charact...
The use of vibrational spectroscopy and supervised machine learning for chemical identification of plastics ingested by seabirds.
Journal of hazardous materials
Jun 21, 2024
Plastic pollution is now ubiquitous in the environment and represents a growing threat to wildlife, who can mistake plastic for food and ingest it. Tackling this problem requires reliable, consistent methods for monitoring plastic pollution ingested ...
Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention.
Journal of chemical information and modeling
Jun 6, 2024
Infrared (IR) spectroscopy is an important analytical tool in various chemical and forensic domains and a great deal of effort has gone into developing methods for predicting experimental spectra. A key challenge in this regard is generating highly ...
Reagent-free detection of Plasmodium falciparum malaria infections in field-collected mosquitoes using mid-infrared spectroscopy and machine learning.
Scientific reports
May 27, 2024
Field-derived metrics are critical for effective control of malaria, particularly in sub-Saharan Africa where the disease kills over half a million people yearly. One key metric is entomological inoculation rate, a direct measure of transmission inte...
Towards quantifying biomarkers for respiratory distress in preterm infants: Machine learning on mid infrared spectroscopy of lipid mixtures.
Talanta
Apr 10, 2024
Neonatal respiratory distress syndrome (nRDS) is a challenging condition to diagnose which can lead to delays in receiving appropriate treatment. Mid infrared (IR) spectroscopy is capable of measuring the concentrations of two diagnostic nRDS biomark...
Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics.
Journal of the American Chemical Society
Jan 19, 2024
The structurally sensitive amide II infrared (IR) bands of proteins provide valuable information about the hydrogen bonding of protein secondary structures, which is crucial for understanding protein dynamics and associated functions. However, deciph...
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