AIMC Topic: Alkaloids

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Integrating mass defect filtering and targeted molecular networking for foodomics research: A case study of Magnolia officinalis cortex.

Food research international (Ottawa, Ont.) Apr 18, 2025
Mass spectrometry (MS)-based foodomics is widely used to tackle complex challenges in food science, although its effectiveness is often hampered by extensive data redundancy. To address this limitation, a novel MS-based foodomics strategy, integratin...
Support Vector Machine Glycosides Lignans Magnolia Mass Spectrometry Food Analysis Alkaloids
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Intelligent characterization multi-components in Yangxinshi tablet by online comprehensive two-dimensional liquid chromatography-quadrupole time-of-flight mass spectrometry combined with deep learning-assisted mass defect filtering classification and multidimensional data annotation strategy.

Talanta Feb 25, 2025
A comprehensive characterization strategy for the intelligent analysis of multiple chemical components in Yangxinshi Tablet (YXST) was established. The strategy developed the deep learning-assisted mass defect filtering intelligent classification, pr...
Tandem Mass Spectrometry Alkaloids Drugs, Chinese Herbal Tablets Chromatography, High Pressure Liquid Deep Learning Chromatography, Liquid
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In vitro metabolic studies and machine learning analysis of mass spectrometry data: A dual strategy for differentiating alpha-pyrrolidinohexiophenone (α-PHP) and alpha-pyrrolidinoisohexanophenone (α-PiHP) in urine analysis.

Forensic science international Jul 6, 2024
Synthetic cathinones are some of the most prevalent new psychoactive substances (NPSs) globally, with alpha-pyrrolidinoisohexanophenone (α-PiHP) being particularly noted for its widespread use in the United States, Europe, and Taiwan. However, the an...
Humans Isomerism Alkaloids Psychotropic Drugs Pyrrolidines Chromatography, Liquid Machine Learning Tandem Mass Spectrometry In Vitro Techniques Microsomes, Liver Mass Spectrometry
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Machine learning assists prediction of genes responsible for plant specialized metabolite biosynthesis by integrating multi-omics data.

BMC genomics Apr 29, 2024
BACKGROUND: Plant specialized (or secondary) metabolites (PSM), also known as phytochemicals, natural products, or plant constituents, play essential roles in interactions between plants and environment. Although many research efforts have focused on...
Proteomics Metabolomics Phenols Machine Learning Genomics Multiomics Genes, Plant Arabidopsis Plants Alkaloids Terpenes
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Deep Learning Combined with Hyperspectral Imaging Technology for Variety Discrimination of .

Molecules (Basel, Switzerland) Sep 16, 2022
Traditional Chinese herbal medicine (TCHM) plays an essential role in the international pharmaceutical industry due to its rich resources and unique curative properties. The flowers, stems, and leaves of Fritillaria contain a wide range of phytochemi...
Saponins Hyperspectral Imaging Alkaloids Fritillaria Antitussive Agents Expectorants Flavonoids Phytochemicals Drugs, Chinese Herbal Technology Deep Learning Oils, Volatile
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Mulberry leaves ameliorate diabetes via regulating metabolic profiling and AGEs/RAGE and p38 MAPK/NF-κB pathway.

Journal of ethnopharmacology Oct 6, 2021
ETHNOPHARMACOLOGICAL RELEVANCE: Mulberry leaves have been used as traditional hypoglycemic medicine-food plant for thousand years in China. According to traditional Chinese medicine theory, type 2 diabetes mellitus (T2DM) belongs to the category of X...
Polysaccharides Morus Alkaloids 3T3-L1 Cells Humans Glycation End Products, Advanced Receptor for Advanced Glycation End Products Mice Diabetes Mellitus, Experimental Plant Extracts Animals NF-kappa B Hypoglycemic Agents Hep G2 Cells Male p38 Mitogen-Activated Protein Kinases Plant Leaves Diabetes Mellitus, Type 2 Flavonoids
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Integrated artificial neural network analysis and functional cell based affinity mass spectrometry for screening a bifunctional activator of Ca and βAR in aconite.

Journal of pharmaceutical and biomedical analysis Aug 1, 2020
Arrhythmia, a common heart disease, is an abnormal frequency or rhythm of heartbeat caused by the origin or conduction obstacle of the heart. Aconite (Fuzi) has been regarded as an effective cardiotonic agent in traditional Chinese medicine (TCM), bu...
Neural Networks, Computer Mass Spectrometry Plant Roots Drugs, Chinese Herbal Alkaloids Aconitum
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Classification of alkaloids according to the starting substances of their biosynthetic pathways using graph convolutional neural networks.

BMC bioinformatics Jul 9, 2019
BACKGROUND: Alkaloids, a class of organic compounds that contain nitrogen bases, are mainly synthesized as secondary metabolites in plants and fungi, and they have a wide range of bioactivities. Although there are thousands of compounds in this class...
Metabolome Alkaloids Biosynthetic Pathways Neural Networks, Computer Algorithms Models, Theoretical
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Qualitative and Quantitative Analysis of Cathinones in Human Urine by SPE-GC-MS.

Fa yi xue za zhi Dec 25, 2018
OBJECTIVES: To propose an alternative solid phase extraction-gas chromatography-mass spectrometry （SPE-GC-MS） method for the sensitive determination of cathinones in human urine samples, plus methodological verification.
Alkaloids Solid Phase Extraction Humans Gas Chromatography-Mass Spectrometry Reproducibility of Results Spectrum Analysis Sensitivity and Specificity
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Antiviral activity of aconite alkaloids from Debx.

Natural product research Dec 22, 2017
Four diterpenoid alkaloids, namely, () hypaconitine, ) songorine, () mesaconitine and () aconitine, were isolated from the ethanol root extract of Debx. The antiviral activities of these alkaloids against tobacco mosaic virus (TMV) and cucumber mosa...
Cucumovirus Tobacco Mosaic Virus Alkaloids Antiviral Agents Aconitum Plant Roots Dose-Response Relationship, Drug Aconitine Molecular Structure Drug Evaluation, Preclinical
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