AIMC Topic: Gas Chromatography-Mass Spectrometry
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Characterization and exploration of dynamic variation of volatile compounds in vine tea during processing by GC-IMS and HS-SPME/GC-MS combined with machine learning algorithm.
Food chemistry
Jul 31, 2024
It is imperative to unravel the dynamic variation of volatile components of vine tea during processing to provide guidance for tea quality evaluation. In this study, the dynamic changes of volatile compounds of vine tea during processing were charact...
Online sequential analysis of volatile and semivolatile organic compounds in water matrices by double robotic sample preparations and dual-channel mono and comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry system.
Journal of chromatography. A
May 4, 2024
The monitoring of organic compounds in aquatic matrices poses challenges due to its complexity and time-intensive nature. To address these challenges, we introduce a novel approach utilizing a dual-channel mono (D) and comprehensive two-dimensional (...
Deep Learning Bridged Bioactivity, Structure, and GC-HRMS-Readable Evidence to Decipher Nontarget Toxicants in Sediments.
Environmental science & technology
May 2, 2024
Identifying causative toxicants in mixtures is critical, but this task is challenging when mixtures contain multiple chemical classes. Effect-based methods are used to complement chemical analyses to identify toxicants, yet conventional bioassays typ...
VOC data-driven evaluation of vehicle cabin odor: from ANN to CNN-BiLSTM.
Environmental science and pollution research international
Apr 26, 2024
Emissions of volatile organic compounds (VOCs) in vehicles represent a significant problem, causing unpleasant odors. To mitigate VOCs and odors in vehicles, it is critical to choose interior parts with low odor and VOC emissions. However, prevailing...
Development of machine learning-based shelf-life prediction models for multiple marine fish species and construction of a real-time prediction platform.
Food chemistry
Apr 10, 2024
At least 10 million tons of seafood products are spoiled or damaged during transportation or storage every year worldwide. Monitoring the freshness of seafood in real time has become especially important. In this study, four machine learning algorith...
Characterization of lamb shashliks with different roasting methods by intelligent sensory technologies and GC-MS to simulate human muti-sensation: Based on multimodal deep learning.
Food chemistry
Dec 24, 2023
To simulate the functions of olfaction, gustation, vision, and oral touch, intelligent sensory technologies have been developed. Headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC/MS) with electronic noses (E-noses...
Fusion of Quality Evaluation Metrics and Convolutional Neural Network Representations for ROI Filtering in LC-MS.
Analytical chemistry
Jan 4, 2023
Region of interest (ROI) extraction is a fundamental step in analyzing metabolomic datasets acquired by liquid chromatography-mass spectrometry (LC-MS). However, noises and backgrounds in LC-MS data often affect the quality of extracted ROIs. Therefo...
Quantitative Mass Spectrometry Imaging Using Multivariate Curve Resolution and Deep Learning: A Case Study.
Journal of the American Society for Mass Spectrometry
Jan 3, 2023
In the present contribution, a novel approach based on multivariate curve resolution and deep learning (DL) is proposed for quantitative mass spectrometry imaging (MSI) as a potent technique for identifying different compounds and creating their dist...
Deep learning-based method for automatic resolution of gas chromatography-mass spectrometry data from complex samples.
Journal of chromatography. A
Dec 29, 2022
Modern gas chromatography-mass spectrometry (GC-MS) is the workhorse for the high-throughput profiling of volatile compounds in complex samples. It can produce a considerable amount of two-dimensional data, and automatic methods are required to disti...
Marker-Independent Food Identification Enabled by Combing Machine Learning Algorithms with Comprehensive GC × GC/TOF-MS.
Molecules (Basel, Switzerland)
Sep 22, 2022
Reliable methods are always greatly desired for the practice of food inspection. Currently, most food inspection techniques are mainly dependent on the identification of special components, which neglect the combination effects of different component...
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