AIMC Topic: Chemometrics

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NIR spectroscopy-CNN-enabled chemometrics for multianalyte monitoring in microbial fermentation.

Biotechnology and bioengineering Feb 23, 2024
As the biopharmaceutical industry looks to implement Industry 4.0, the need for rapid and robust analytical characterization of analytes has become a pressing priority. Spectroscopic tools, like near-infrared (NIR) spectroscopy, are finding increasin...
Least-Squares Analysis Glucose Fermentation Chemometrics Spectroscopy, Near-Infrared Escherichia coli Neural Networks, Computer
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Spectrochemical analysis of blood combined with chemometric techniques for detecting osteosarcopenia.

Scientific reports Jun 15, 2023
Among several complications related to physiotherapy, osteosarcopenia is one of the most frequent in elderly patients. This condition is limiting and quite harmful to the patient's health by disabling several basic musculoskeletal activities. Current...
Female Aged Discriminant Analysis Humans Spectrophotometry, Infrared Chemometrics Support Vector Machine Principal Component Analysis
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Unraveling surface-enhanced Raman spectroscopy results through chemometrics and machine learning: principles, progress, and trends.

Analytical and bioanalytical chemistry Mar 3, 2023
Surface-enhanced Raman spectroscopy (SERS) has gained increasing attention because it provides rich chemical information and high sensitivity, being applicable in many scientific fields including medical diagnosis, forensic analysis, food control, an...
Chemometrics Artificial Intelligence Machine Learning Spectrum Analysis, Raman
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Intelligent Discrete Deep Learning Based Classification Methodology in Chemometrics.

Journal of chemical information and modeling Feb 10, 2023
In recent years, deep learning models have attracted much attention for classification purposes in chemometrics. The popularity of deep learning models in this field comes from their unique features like universal approximation capability with the de...
Chemometrics Algorithms Deep Learning Neural Networks, Computer
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Identification of liquors from the same brand based on ultraviolet, near-infrared and fluorescence spectroscopy combined with chemometrics.

Food chemistry Sep 5, 2022
Accurate identification of various liquors from the same brand is of great significance for safeguarding the rights and interests of consumers and the market economy. Here, the spectral properties of liquors were studied based on ultraviolet (UV), ne...
Chemometrics Support Vector Machine Spectrometry, Fluorescence Discriminant Analysis Alcoholic Beverages
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Human Remains Identification Using Micro-CT, Chemometric and AI Methods in Forensic Experimental Reconstruction of Dental Patterns after Concentrated Sulphuric Acid Significant Impact.

Molecules (Basel, Switzerland) Jun 23, 2022
(1) Teeth, in humans, represent the most resilient tissues. However, exposure to concentrated acids might lead to their dissolving, thus making human identification difficult. Teeth often contain dental restorations from materials that are even more ...
Humans Artificial Intelligence Glass Ionomer Cements Body Remains Chemometrics X-Ray Microtomography Sulfuric Acids
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Combining deep learning with chemometrics when it is really needed: A case of real time object detection and spectral model application for spectral image processing.

Analytica chimica acta Mar 1, 2022
Deep learning (DL) being popularly used in computer vision applications is still in its early stage in chemometric domain for spectral image processing. Often the challenge is that there are too few samples from analytical laboratory experiments to p...
Chemometrics Deep Learning Image Processing, Computer-Assisted Humans
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SERS and advanced chemometrics - Utilization of Siamese neural network for picomolar identification of beta-lactam antibiotics resistance gene fragment.

Analytica chimica acta Dec 20, 2021
The enormous development and expansion of antibiotic-resistant bacterial strains impel the intensive search for new methods for fast and reliable detection of antibiotic susceptibility markers. Here, we combined DNA-targeted surface functionalization...
Bayes Theorem beta-Lactams Neural Networks, Computer Anti-Bacterial Agents Chemometrics
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Chemometric analysis in Raman spectroscopy from experimental design to machine learning-based modeling.

Nature protocols Nov 5, 2021
Raman spectroscopy is increasingly being used in biology, forensics, diagnostics, pharmaceutics and food science applications. This growth is triggered not only by improvements in the computational and experimental setups but also by the development ...
Reference Standards Chemometrics Datasets as Topic Calibration Spectrum Analysis, Raman Models, Statistical Principal Component Analysis Data Interpretation, Statistical Animals Mice Humans Machine Learning
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Machine learning and chemometric methods for high-throughput authentication of 53 Root and Rhizome Chinese Herbal using ATR-FTIR fingerprints.

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences Jun 15, 2025
To address the identification challenges caused by morphological similarities in Root and Rhizome Chinese Herbal (RRCH), this study developed a discrimination system integrating Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (AT...
Rhizome Chemometrics Least-Squares Analysis Discriminant Analysis Machine Learning Spectroscopy, Fourier Transform Infrared Plant Roots Drugs, Chinese Herbal
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