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X-Ray Diffraction

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

Materials science & engineering. C, Materials for biological applications
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...

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
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...

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
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...

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

International journal of pharmaceutics
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,...

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

International journal of molecular sciences
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...

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

Journal of chemical information and modeling
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...

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

Journal of synchrotron radiation
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, ...

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

ACS combinatorial science
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...

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

Medical physics
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...