AIMC Topic: X-Ray Diffraction

Clear Filters Showing 11 to 20 of 35 articles

Application of machine learning classifiers to X-ray diffraction imaging with medically relevant phantoms.

Medical physics Dec 1, 2021
PURPOSE: Recent studies have demonstrated the ability to rapidly produce large field of view X-ray diffraction (XRD) images, which provide rich new data relevant to the understanding and analysis of disease. However, work has only just begun on devel...
Support Vector Machine X-Ray Diffraction Phantoms, Imaging Machine Learning Algorithms
View on PubMed DOI

[A giant step towards elucidating the function of proteins].

Medecine sciences : M/S Feb 16, 2021
Protein Folding Protein Structure, Tertiary Myoglobin Caspases X-Ray Diffraction Caspase 1 Algorithms Artificial Intelligence Deep Learning Crystallography Proteins
View on PubMed DOI

High-Throughput and Autonomous Grazing Incidence X-ray Diffraction Mapping of Organic Combinatorial Thin-Film Library Driven by Machine Learning.

ACS combinatorial science Jun 17, 2020
High-throughput X-ray diffraction (XRD) is one of the most indispensable techniques to accelerate materials research. However, the conventional XRD analysis with a large beam spot size may not best appropriate in a case for characterizing organic mat...
X-Ray Diffraction Combinatorial Chemistry Techniques Organic Chemicals Semiconductors High-Throughput Screening Assays Machine Learning
View on PubMed DOI

Classification of grazing-incidence small-angle X-ray scattering patterns by convolutional neural network.

Journal of synchrotron radiation May 20, 2020
Grazing-incidence small-angle X-ray scattering (GISAXS) patterns have multiple superimposed contributions from the shape of the nanoscale structure, the coupling between the particles, the partial pair correlation, and the layer geometry. Therefore, ...
Neural Networks, Computer Nanoparticles X-Ray Diffraction Scattering, Small Angle
View on PubMed DOI

Rapid Identification of X-ray Diffraction Patterns Based on Very Limited Data by Interpretable Convolutional Neural Networks.

Journal of chemical information and modeling Apr 6, 2020
Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a convolutional neural network (CNN) that was trained based on theoretical data and very limited exp...
Neural Networks, Computer X-Ray Diffraction
View on PubMed DOI

Discovery of Small-Molecule Activators for Glucose-6-Phosphate Dehydrogenase (G6PD) Using Machine Learning Approaches.

International journal of molecular sciences Feb 23, 2020
Glucose-6-Phosphate Dehydrogenase (G6PD) is a ubiquitous cytoplasmic enzyme converting glucose-6-phosphate into 6-phosphogluconate in the pentose phosphate pathway (PPP). The G6PD deficiency renders the inability to regenerate glutathione due to lack...
Protein Interaction Domains and Motifs Glucosephosphate Dehydrogenase NADP Catalytic Domain Glutathione X-Ray Diffraction Pentose Phosphate Pathway Molecular Docking Simulation Drug Discovery Oxidative Stress Oxidation-Reduction Glucosephosphate Dehydrogenase Deficiency Drug Evaluation, Preclinical Humans Machine Learning Animals
View on PubMed DOI

Data fusion strategies for performance improvement of a Process Analytical Technology platform consisting of four instruments: An electrospinning case study.

International journal of pharmaceutics Jun 26, 2019
The aim of this work was to develop a PAT platform consisting of four complementary instruments for the characterization of electrospun amorphous solid dispersions with meloxicam. The investigated methods, namely NIR spectroscopy, Raman spectroscopy,...
Meloxicam Powder Diffraction Colorimetry Spectrum Analysis, Raman Microscopy Technology, Pharmaceutical X-Ray Diffraction Photography Neural Networks, Computer Spectroscopy, Near-Infrared
View on PubMed DOI

In vitro bioactivity and degradation behaviour of β-wollastonite derived from natural waste.

Materials science & engineering. C, Materials for biological applications Dec 29, 2018
Calcium silicate ceramics, in particular wollastonite (CaSiO), is the most commonly used bioactive material for bone regeneration and repairing applications. The present study aims to synthesize cost effective wollastonite using natural waste materia...
Calcium Compounds Durapatite X-Ray Diffraction Spectroscopy, Fourier Transform Infrared Cell Survival Humans Biocompatible Materials Cell Line, Tumor
View on PubMed DOI

Synthesis and characterization of Zinc oxide nanoparticles utilizing seed source of Ricinus communis and study of its antioxidant, antifungal and anticancer activity.

Materials science & engineering. C, Materials for biological applications Dec 10, 2018
ZnO nanoparticles have been synthesized using solution combustion technique and its antioxidant, antifungal, anticancer activity was studied. Ricinus communis plant seed extract used as fuel in synthesis by the solution combustion technique. Powder X...
Plant Extracts Spectroscopy, Fourier Transform Infrared Microscopy, Electron, Transmission Seeds X-Ray Diffraction Humans Antifungal Agents Cell Line, Tumor Penicillium Green Chemistry Technology Cell Survival Antineoplastic Agents Metal Nanoparticles Antioxidants Ricinus Particle Size Microbial Sensitivity Tests Zinc Oxide Aspergillus
View on PubMed DOI

General Method for the Identification of Crystal Faces Using Raman Spectroscopy Combined with Machine Learning and Application to the Epitaxial Growth of Acetaminophen.

Langmuir : the ACS journal of surfaces and colloids Aug 9, 2018
Crystal morphology is one of the key crystallographic characteristics that governs the macroscopic properties of crystalline materials. The identification of crystal faces, or face indexing, is an important technique that is used to get information r...
Machine Learning Algorithms Spectrum Analysis, Raman Crystallization X-Ray Diffraction Xylitol Crystallography, X-Ray Galactose Acetaminophen Mannitol
View on PubMed DOI
Popular Topics
Recent Journals