AIMC Topic: Ions

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Sodium adduct formation with graph-based machine learning can aid structural elucidation in non-targeted LC/ESI/HRMS.

Analytica chimica acta
Non-targeted screening with LC/ESI/HRMS aims to identify the structure of the detected compounds using their retention time, exact mass, and fragmentation pattern. Challenges remain in differentiating between isomeric compounds. One untapped possibil...

Deep learning models for image and data processes of intracellular calcium ions.

Cellular signalling
Intracellular calcium ion (Ca) in cytoplasm as an intracellular second messenger is involved in almost all important cellular activities of organisms. Generally its concentration ([Ca]) is tested by live imaging followed image and data processes, in ...

Semi-Automated Determination of Heavy Metals in Autopsy Tissue Using Robot-Assisted Sample Preparation and ICP-MS.

Molecules (Basel, Switzerland)
The endoprosthetic care of hip and knee joints introduces multiple materials into the human body. Metal containing implant surfaces release degradation products such as particulate wear and corrosion debris, metal-protein complexes, free metallic ion...

Neural Network Analysis of Electron Microscopy Video Data Reveals the Temperature-Driven Microphase Dynamics in the Ions/Water System.

Small (Weinheim an der Bergstrasse, Germany)
Real-time field-emission scanning electron microscopy (FE-SEM) measurements and neural network analysis were successfully merged to observe the temperature-induced behavior of soft liquid microdomains in mixtures of different ionic liquids with water...

Prediction of copper ions adsorption by attapulgite adsorbent using tuned-artificial intelligence model.

Chemosphere
Copper (Cu) ion in wastewater is considered as one of the crucial hazardous elements to be quantified. This research is established to predict copper ions adsorption (Ad) by Attapulgite clay from aqueous solutions using computer-aided models. Three a...

Deep learning the collisional cross sections of the peptide universe from a million experimental values.

Nature communications
The size and shape of peptide ions in the gas phase are an under-explored dimension for mass spectrometry-based proteomics. To investigate the nature and utility of the peptide collisional cross section (CCS) space, we measure more than a million dat...

Rotatable central composite design versus artificial neural network for modeling biosorption of Cr by the immobilized Pseudomonas alcaliphila NEWG-2.

Scientific reports
Heavy metals, including chromium, are associated with developed industrialization and technological processes, causing imbalanced ecosystems and severe health concerns. The current study is of supreme priority because there is no previous work that d...

Synaptic Iontronic Devices for Brain-Mimicking Functions: Fundamentals and Applications.

ACS applied bio materials
Inspired by the information transmission mechanism in the central nervous systems of life, synapse-mimicking devices have been designed and fabricated for the purpose of breaking the bottleneck of von Neumann architecture and realizing the constructi...

Fabrication of Carbon-Based Ionic Electromechanically Active Soft Actuators.

Journal of visualized experiments : JoVE
Ionic electromechanically active capacitive laminates are a type of smart material that move in response to electrical stimulation. Due to the soft, compliant and biomimetic nature of this deformation, actuators made of the laminate have received inc...

Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross Sections.

Analytical chemistry
Identification of unknowns is a bottleneck for large-scale untargeted analyses like metabolomics or drug metabolite identification. Ion mobility-mass spectrometry (IM-MS) provides rapid two-dimensional separation of ions based on their mobility throu...