AIMC Topic: Gas Chromatography-Mass Spectrometry

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Comparative machine learning strategies for improving antioxidant properties and aroma quality in fermented mung bean milkby Lactobacillus plantarum PC4.

International journal of food microbiology
This study compares least squares support vector machine (LSSVM) and artificial neural network (ANN) models, integrated with the NSGA-II algorithm, to optimize the fermentation of mung bean milk by Lactobacillus plantarum PC4. Given its superior pred...

FAC-Z analysis of edible oils: The application of electrochemical impedance (Z) spectroscopy for supervised machine learning-based prediction of fatty acid composition (FAC) in edible oils.

Food chemistry
The primary fatty acid makeup of a comprehensive set of edible oils was ascertained using an electrochemical impedance spectroscopic approach. The electrical signatures of edible oils (i.e impedance spectra) were recorded and a neural network was use...

Exhaled gas biomarkers: a non-invasive approach for distinguishing diabetes and its complications.

The Analyst
Exhaled gas detection offers a safe, convenient, and non-invasive clinical diagnostic method for preventing the progression of diabetes to complications. In this study, gas chromatography-mass spectrometry (GC-MS) analysis and statistical methods wer...

Smart Detection of Food Spoilage Using Microbial Volatile Compounds: Technologies, Challenges, and Future Outlook.

Journal of agricultural and food chemistry
Microbial volatile organic compounds (MVOCs) serve as early, noninvasive indicators of food spoilage and microbial contamination. This review critically assesses current methods for MVOC detection, including gas chromatography-mass spectrometry (GC-M...

Determination of lung cancer exhaled breath biomarkers using machine learning-a new analysis framework.

Scientific reports
Exhaled breath samples of lung cancer patients (LC), tuberculosis (TB) patients and asymptomatic controls (C) were analyzed using gas chromatography-mass spectrometry (GC-MS). Ten volatile organic compounds (VOCs) were identified as possible biomarke...

MASSISTANT: A deep learning model for De Novo molecular structure prediction from EI‑MS spectra via SELFIES encoding.

Journal of chromatography. A
Gas chromatography coupled with electron impact mass spectrometry (GC‑EI‑MS) is a widely used analytical technique for identifying volatile and semi‑volatile compounds in applications ranging from pharmaceutical research to material science. However,...

Impact of ginger juice processing on volatile compounds and sensory characteristics of Eucommiae Cortex: A GC×GC-TOF-MS, E-nose, and machine learning analysis.

Journal of pharmaceutical and biomedical analysis
Ginger-processed Eucommiae Cortex (G-EC) is a traditional herbal preparation with a long history of clinical application. However, the lack of quantitative standards, undefined chemical transformation pathways, and unidentified quality markers (Q-mar...

Uncorking white wine liking: Combining analytical chemistry and chemometrics with crowd-sourced data to predict quality ratings.

Food chemistry
Quality perception is a crucial aspect of wine research, particularly regarding consumer acceptance and quality impression. These assessments are challenging because consumers frequently incorporate extrinsic cues when evaluating hedonic quality. A u...

Machine learning discrimination of quality grades of base liquor integrating GC-TOF/MS and GC-IMS data analysis: Case study of strong-flavor Chinese baijiu.

Food chemistry
The flavor of base liquor is critical to the grading quality of Baijiu. This study focuses on the base liquor grades of five different strong-flavor Baijiu brands. Headspace Solid-phase Microextraction Gas Chromatography Time-of-flight Mass spectrome...

Breath profiles in paediatric allergic asthma by proton transfer reaction mass spectrometry.

BMJ open respiratory research
INTRODUCTION: Enhancing paediatric asthma diagnosis is crucial. Molecular analysis of exhaled breath is a rapidly evolving field aimed at harnessing established and innovative technologies for clinical applications. This study evaluates the feasibili...