AIMC Topic: Ions

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MIC: A deep learning tool for assigning ions and waters in cryo-EM and crystal structures.

Nature communications Jul 4, 2025
At sufficiently high resolution, x-ray crystallography and cryogenic electron microscopy are capable of resolving small spherical map features corresponding to either water or ions. Correct classification of these sites provides crucial insight for u...
Deep Learning Ions Crystallography, X-Ray Cryoelectron Microscopy Proteins Models, Molecular Water
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Comparative study on antibacterial activities and removal of iron ions from water using novel modified sand with silver through the hydrothermal technique.

Scientific reports May 8, 2025
The hydrothermal-calcination technique was used to modify raw sand with silver (Ag) at different weight percentages: 2%, 5%, and 10% using silver nitrate. The raw and sand-coated Ag nanoparticle samples were analyzed using various techniques, includi...
Staphylococcus aureus X-Ray Diffraction Silver Spectroscopy, Fourier Transform Infrared Microbial Sensitivity Tests Metal Nanoparticles Silicon Dioxide Ions Sand Iron Water Water Purification Escherichia coli Anti-Bacterial Agents
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Ionic Device: From Neuromorphic Computing to Interfacing with the Brain.

Chemistry, an Asian journal Feb 13, 2025
In living organisms, the modulation of ion conductivity in ion channels of neuron cells enables intelligent behaviors, such as generating, transmitting, and storing neural signals. Drawing inspiration from these natural processes, researchers have fa...
Algorithms Brain Ions Humans Neural Networks, Computer
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KaMLs for Predicting Protein p Values and Ionization States: Are Trees All You Need?

Journal of chemical theory and computation Jan 30, 2025
Despite its importance in understanding biology and computer-aided drug discovery, the accurate prediction of protein ionization states remains a formidable challenge. Physics-based approaches struggle to capture the small, competing contributions in...
Databases, Protein Machine Learning Ions Hydrogen-Ion Concentration Decision Trees Proteins
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Deep Learning Predicts Non-Normal Transmission Distributions in High-Field Asymmetric Waveform Ion Mobility (FAIMS) Directly from Peptide Sequence.

Analytical chemistry Jan 26, 2025
Peptide ion mobility adds an extra dimension of separation to mass spectrometry-based proteomics. The ability to accurately predict peptide ion mobility would be useful to expedite assay development and to discriminate true answers in a database sear...
Ions Ion Mobility Spectrometry Escherichia coli Mass Spectrometry Humans Peptides Amino Acid Sequence Neural Networks, Computer Deep Learning
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DisDock: A Deep Learning Method for Metal Ion-Protein Redocking.

Proteins Jan 22, 2025
The structures of metalloproteins are essential for comprehending their functions and interactions. The breakthrough of AlphaFold has made it possible to predict protein structures with experimental accuracy. However, the type of metal ion that a met...
Protein Binding Computational Biology Databases, Protein Deep Learning Metals Protein Conformation Binding Sites Metalloproteins Ions Ligands Algorithms Molecular Docking Simulation Software
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LSTM-based estimation of lithium-ion battery SOH using data characteristics and spatio-temporal attention.

PloS one Dec 26, 2024
As the primary power source for electric vehicles, the accurate estimation of the State of Health (SOH) of lithium-ion batteries is crucial for ensuring the reliable operation of the power system. Long Short-Term Memory (LSTM), a special type of recu...
Neural Networks, Computer Spatio-Temporal Analysis Electric Power Supplies Lithium Ions
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Sustainable Silk Fibroin Ionic Touch Screens for Flexible Biodegradable Electronics with Integrated AI and IoT Functionality.

Advanced materials (Deerfield Beach, Fla.) Dec 8, 2024
The increasing prevalence of electronic devices has led to a significant rise in electronic waste (e-waste), necessitating the development of sustainable materials for flexible electronics. In this study, silk fibroin ionic touch screen (SFITS) is in...
Touch Fibroins Internet of Things Electric Conductivity Humans Artificial Intelligence Electronics Ions Wearable Electronic Devices
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Navigating the maze of mass spectra: a machine-learning guide to identifying diagnostic ions in O-glycan analysis.

Analytical and bioanalytical chemistry Aug 24, 2024
Structural details of oligosaccharides, or glycans, often carry biological relevance, which is why they are typically elucidated using tandem mass spectrometry. Common approaches to distinguish isomers rely on diagnostic glycan fragments for annotati...
Humans Mass Spectrometry Polysaccharides Machine Learning Glycomics Tandem Mass Spectrometry Ions
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Decoupling ion concentrations from effluent conductivity profiles in capacitive and battery electrode deionizations using an artificial intelligence model.

Water research Jul 14, 2024
Owing to its simplicity of measurement, effluent conductivity is one of the most studied factors in evaluations of desalination performance based on the ion concentrations in various ion adsorption processes such as capacitive deionization (CDI) or b...
Electric Power Supplies Artificial Intelligence Electrodes Water Purification Ions Models, Theoretical Electric Conductivity
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