AIMC Topic: X-Ray Diffraction

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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...
X-Ray Diffraction Staphylococcus aureus Microbial Sensitivity Tests Spectroscopy, Fourier Transform Infrared Sand Metal Nanoparticles Silver Iron Water Water Purification Ions Silicon Dioxide Escherichia coli Anti-Bacterial Agents
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Combining High-Throughput Screening and Machine Learning to Predict the Formation of Both Binary and Ternary Amorphous Solid Dispersion Formulations for Early Drug Discovery and Development.

Pharmaceutical research Apr 3, 2025
OBJECTIVE: Amorphous solid dispersion (ASD) is widely utilized to enhance the solubility and bioavailability of water-insoluble drugs. However, conventional experimental approaches for ASD development are often resource-intensive and time-consuming. ...
Support Vector Machine Solubility High-Throughput Screening Assays Drug Discovery Drug Development X-Ray Diffraction Chemistry, Pharmaceutical Powder Diffraction Drug Compounding Crystallization Machine Learning Algorithms
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Advanced machine learning-driven characterization of new natural cellulosic Lablab purpureus fibers through PCA and K-means clustering techniques.

International journal of biological macromolecules Mar 2, 2025
The increasing demand for sustainable and eco-friendly materials has spurred significant interest in natural fibers as alternatives to synthetic reinforcements in composite applications. This study aims to explore the potential of Lablab purpureus fi...
Machine Learning Lignin X-Ray Diffraction Spectroscopy, Fourier Transform Infrared Cellulose Principal Component Analysis Tensile Strength Polysaccharides Cluster Analysis
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Predicting RNA structure and dynamics with deep learning and solution scattering.

Biophysical journal Dec 25, 2024
Advanced deep learning and statistical methods can predict structural models for RNA molecules. However, RNAs are flexible, and it remains difficult to describe their macromolecular conformations in solutions where varying conditions can induce confo...
Models, Molecular Magnesium RNA Deep Learning Solutions Scattering, Small Angle X-Ray Diffraction Nucleic Acid Conformation
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Chemical characterization of hibiscus rosa-sinensis plant fibers facilitated through design of experiments and artificial neural network hybrid approach.

Scientific reports Sep 28, 2024
The integration of natural fibers into Fiber Reinforced Polymers (FRPs) has emerged as a promising avenue for sustainable and high-performance composite materials. Natural fibers, derived from plants, offer notable advantages such as renewability, lo...
Potassium Permanganate Neural Networks, Computer X-Ray Diffraction Sodium Hydroxide Hibiscus Thermogravimetry
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Integrating machine learning with -SAS for enhanced structural analysis in small-angle scattering: applications in biological and artificial macromolecular complexes.

The European physical journal. E, Soft matter Jun 3, 2024
Small-Angle Scattering (SAS), encompassing both X-ray (SAXS) and Neutron (SANS) techniques, is a crucial tool for structural analysis at the nanoscale, particularly in the realm of biological macromolecules. This paper explores the intricacies of SAS...
Monte Carlo Method Scattering, Small Angle Neutron Diffraction Macromolecular Substances Machine Learning X-Ray Diffraction
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BioSAXS at European Synchrotron Radiation Facility - Extremely Brilliant Source: BM29 with an upgraded source, detector, robot, sample environment, data collection and analysis software.

Journal of synchrotron radiation Jan 1, 2023
As part of its Extremely Brilliant Source (EBS) upgrade project, the ESRF's BM29 BioSAXS beamline was subject to a significant upgrade and refurbishment. In addition to the replacement of the beamline's original bending magnet source by a two-pole wi...
Data Collection Humans X-Ray Diffraction Software Synchrotrons Scattering, Small Angle Robotics
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Multi-state modeling of antibody-antigen complexes with SAXS profiles and deep-learning models.

Methods in enzymology Dec 8, 2022
Antibodies are an established class of human therapeutics. Epitope characterization is an important part of therapeutic antibody discovery. However, structural characterization of antibody-antigen complexes remains challenging. On the one hand, X-ray...
Epitopes X-Ray Diffraction Cryoelectron Microscopy Proprotein Convertase 9 Protein Conformation Deep Learning Proteins Models, Molecular Humans Antigen-Antibody Complex Scattering, Small Angle
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Single-Image Super-Resolution Improvement of X-ray Single-Particle Diffraction Images Using a Convolutional Neural Network.

Journal of chemical information and modeling Jul 12, 2022
Femtosecond X-ray pulse lasers are promising probes for the elucidation of the multiconformational states of biomolecules because they enable snapshots of single biomolecules to be observed as coherent diffraction images. Multi-image processing using...
Neural Networks, Computer Image Processing, Computer-Assisted X-Ray Diffraction Lasers
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Hybrid Deep Learning Crystallographic Mapping of Polymorphic Phases in Polycrystalline Hf Zr O Thin Films.

Small (Weinheim an der Bergstrasse, Germany) Apr 3, 2022
By controlling the configuration of polymorphic phases in high-k Hf Zr O thin films, new functionalities such as persistent ferroelectricity at an extremely small scale can be exploited. To bolster the technological progress and fundamental understan...
Humans Deep Learning X-Ray Diffraction
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