AIMC Topic: Spectrum Analysis, Raman
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Deep Learning Protocol for Predicting Full-Spectrum Infrared and Raman Spectra of Polypeptides and Proteins Using All-Atom Models.
The journal of physical chemistry letters
Feb 18, 2025
Infrared (IR) spectroscopy and Raman spectroscopy are powerful tools for probing protein and peptide structures due to their capability to provide molecular fingerprints. As a popular spectral simulation method, the quantum chemistry (QC) calculation...
Rapid and Differential Diagnosis of Sepsis Stages Using an Advanced 3D Plasmonic Bimetallic Alloy Nanoarchitecture-Based SERS Biosensor Combined with Machine Learning for Multiple Analyte Identification.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Feb 17, 2025
Rapid and accurate differential diagnosis of infections, sepsis, and septic shock is essential for preventing unnecessary antibiotic overuse and improving the chance of patient survival. To address this, a 3D gold nanogranule decorated gold-silver al...
Intelligent decoding platform for peptide sequences: SERS detection via high affinity self-assembled silver nanoparticles and machine learning analysis.
Analytica chimica acta
Feb 13, 2025
BACKGROUND: Peptides are compounds formed by the dehydration-condensation reaction of two or more amino acids which play an important role in the life functions of the organism. Changes in the structure of amino acids and peptides are vital for eluci...
Efficient detection of foodborne pathogens via SERS and deep learning: An ADMIN-optimized NAS-Unet approach.
Journal of hazardous materials
Feb 11, 2025
Amid the increasing global challenge of foodborne diseases, there is an urgent need for rapid and precise pathogen detection methods. This study innovatively integrates surface-enhanced Raman Spectroscopy (SERS) with deep learning technology to devel...
ChatExosome: An Artificial Intelligence (AI) Agent Based on Deep Learning of Exosomes Spectroscopy for Hepatocellular Carcinoma (HCC) Diagnosis.
Analytical chemistry
Feb 11, 2025
Large language models (LLMs) hold significant promise in the field of medical diagnosis. There are still many challenges in the direct diagnosis of hepatocellular carcinoma (HCC). α-Fetoprotein (AFP) is a commonly used tumor marker for liver cancer. ...
Machine learning with label-free Raman microscopy to investigate ferroptosis in comparison with apoptosis and necroptosis.
Communications biology
Feb 11, 2025
Human and animal health rely on balancing cell division and cell death to maintain normal homeostasis. This process is accomplished by regulated cell death (RCD), whose imbalance can lead to disease. Currently, the most frequently used method for ana...
Machine learning-enhanced surface-enhanced spectroscopic detection of polycyclic aromatic hydrocarbons in the human placenta.
Proceedings of the National Academy of Sciences of the United States of America
Feb 10, 2025
The detection and identification of polycyclic aromatic hydrocarbons (PAHs) and their derivatives, polycyclic aromatic compounds (PACs), are essential for environmental and health monitoring, for assessing toxicological exposure and their associated ...
Optimized machine learning approaches to combine surface-enhanced Raman scattering and infrared data for trace detection of xylazine in illicit opioids.
The Analyst
Feb 10, 2025
Infrared absorption spectroscopy and surface-enhanced Raman spectroscopy were integrated into three data fusion strategies-hybrid (concatenated spectra), mid-level (extracted features from both datasets) and high-level (fusion of predictions from bot...
Harnessing near-infrared and Raman spectral sensing and artificial intelligence for real-time monitoring and precision control of bioprocess.
Bioresource technology
Feb 7, 2025
Effective monitoring and control of bioprocesses are critical for industrial biomanufacturing. This study demonstrates the integration of near-infrared and Raman spectroscopy for real-time monitoring and precise control of gentamicin fermentation. Th...
Highly Sensitive and Interference-Free Detection of Multiple Drug Molecules in Serum Using Dual-Modified SERS Substrates Combined with AI Algorithm Analysis.
Analytical chemistry
Feb 3, 2025
Surface-enhanced Raman spectroscopy (SERS) technology has shown broad potential in drug concentration detection, but its application in blood drug monitoring faces significant challenges. The primary difficulty lies in overcoming the interference cau...
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