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Isotopes

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[Determination of 32 polychlorinated biphenyls in aquatic products by gas chromatography-high-resolution mass spectrometry with accelerated solvent extraction-purification simultaneously coupled to isotope internal standard method].

Se pu = Chinese journal of chromatography
Gas chromatography (GC)-high-resolution mass spectrometry (HRMS) with accelerated solvent extraction (ASE)-purification simultaneously coupled to the isotope internal standard method is proposed for the determination of 32 polychlorinated biphenyls (...

Predicting the Presence of Uncommon Elements in Unknown Biomolecules from Isotope Patterns.

Analytical chemistry
The determination of the molecular formula is one of the earliest and most important steps when investigating the chemical nature of an unknown compound. Common approaches use the isotopic pattern of a compound measured using mass spectrometry. Compu...

Contaminant source identification using semi-supervised machine learning.

Journal of contaminant hydrology
Identification of the original groundwater types present in geochemical mixtures observed in an aquifer is a challenging but very important task. Frequently, some of the groundwater types are related to different infiltration and/or contamination sou...

A field trials-based authentication study of conventionally and organically grown Chinese yams using light stable isotopes and multi-elemental analysis combined with machine learning algorithms.

Food chemistry
In this study, stable isotopes and multi-element signatures combined with chemometrics were used to distinguish conventional and organic Chinese yams based on field trials. Four light stable isotopes δD, δC, δN, δO, and 20 elements (e.g. Li, Na, Mn) ...

Replacing the internal standard to estimate micropollutants using deep and machine learning.

Water research
Similar to the worldwide proliferation of urbanization, micropollutants have been involved in aquatic and ecological environmental systems. These pollutants have the propensity to wreak havoc on human health and the ecological system; hence, it is im...

A novel method for micropollutant quantification using deep learning and multi-objective optimization.

Water research
Micropollutants (MPs) released into aquatic ecosystems have adverse effects on public health. Hence, monitoring and managing MPs in aquatic systems are imperative. MPs can be quantified by high-resolution mass spectrometry (HRMS) with stable isotope-...

Stable isotope and trace element analyses with non-linear machine-learning data analysis improved coffee origin classification and marker selection.

Journal of the science of food and agriculture
BACKGROUND: This study investigated the geographical origin classification of green coffee beans from continental to country and regional levels. An innovative approach combined stable isotope and trace element analyses with non-linear machine learni...

DeepION: A Deep Learning-Based Low-Dimensional Representation Model of Ion Images for Mass Spectrometry Imaging.

Analytical chemistry
Mass spectrometry imaging (MSI) is a high-throughput imaging technique capable of the qualitative and quantitative in situ detection of thousands of ions in biological samples. Ion image representation is a technique that produces a low-dimensional v...

Deep learning insights into spatial patterns of stable isotopes in Iran's precipitation: a novel approach to climatological mapping.

Isotopes in environmental and health studies
Stable isotope techniques are precise methods for studying various aspects of hydrology, such as precipitation characteristics. However, understanding the variations in the stable isotope content in precipitation is challenging in Iran due to numerou...

Deciphering the impact of cascade reservoirs on nitrogen transport and nitrate transformation: Insights from multiple isotope analysis and machine learning.

Water research
Construction of cascade reservoirs has altered nutrient dynamics and biogeochemical cycles, thereby influencing the composition and productivity of river ecosystems. The Lancang River (LCR), characterized by its cascade reservoir system, presents unc...