Evaluation of Effects of Pharmaceutical Processing on Structural Disorders of Active Pharmaceutical Ingredient Crystals Using Nanoindentation and High-Resolution Total Scattering Pair Distribution Function Analysis

2014 ◽  
Vol 103 (12) ◽  
pp. 3879-3890 ◽  
Author(s):  
Shuang Chen ◽  
Ahmad Y. Sheikh ◽  
Raimundo Ho
Keyword(s):  
Distribution Function ◽  
High Resolution ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Active Pharmaceutical Ingredient ◽  
Total Scattering ◽  
Structural Disorders ◽  
Pharmaceutical Processing

scholarly journals Total-scattering pair-distribution function analysis of zinc from high-energy synchrotron data

2019 ◽  
Vol 33 (33) ◽  
pp. 1950410 ◽  
Author(s):  
Ahmad S. Masadeh ◽  
Moneeb T. M. Shatnawi ◽  
Ghosoun Adawi ◽  
Yang Ren
Keyword(s):  
Crystal Structure ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
High Energy ◽  
Ambient Conditions ◽  
Total Scattering ◽  
X Ray ◽  
Zinc Metal ◽  
Pdf Analysis

The crystal structure of zinc metal deviates from the ideal hexagonal close packing structure by a significantly increased axial ratio (c/a). The local atomic structure of zinc metal is investigated using the total scattering atomic pair distribution function (PDF) analysis based on X-ray powder diffraction data collected at ambient conditions. The X-ray total scattering PDF analysis confirms that the crystal structure of zinc can be described in terms of wurtzite structure, but with an anomalously atomic displacement parameters [Formula: see text], indicating a significant displacement disorder along the [Formula: see text]-axis. For the long [Formula: see text]-range PDF refinements, the thermal motion of zinc shows a notable anisotropy as expressed by the ratio [Formula: see text]/[Formula: see text] of 2.5 at ambient conditions. This average distortion level along the [Formula: see text]-axis, was not reflected locally for the features below 5.0 Å as it fits the high [Formula: see text] region. Based on PDF refinements over different [Formula: see text]-ranges, we measure an interesting increase of the [Formula: see text] value with decreasing the [Formula: see text]-range of the refinement. This suggests that the local structure features in zinc metal differ from the average structure ones.

scholarly journals Exploring the origins of crystallisation kinetics in hierarchical materials using in situ X-ray diffraction and pair distribution function analysis

2020 ◽  
Vol 22 (34) ◽  
pp. 18860-18867 ◽  
Author(s):  
Matthew E. Potter ◽  
Mark E. Light ◽  
Daniel J. M. Irving ◽  
Alice E. Oakley ◽  
Stephanie Chapman ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
Crystallisation Kinetics ◽  
Total Scattering ◽  
Hierarchically Porous ◽  
X Ray ◽  
Scattering Measurements

Novel in situ synchrotron total scattering measurements probe the assembly of primary building units into templated hierarchically porous aluminophosphate catalysts, providing unique insights to understanding crystallisation kinetics.

X-ray total scattering study of magic-size clusters and quantum dots of cadmium sulphide

Nanoscale ◽  
2019 ◽  
Vol 11 (45) ◽  
pp. 21900-21908 ◽  
Author(s):  
Lei Tan ◽  
Alston J. Misquitta ◽  
Andrei Sapelkin ◽  
Le Fang ◽  
Rory M. Wilson ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Cadmium Sulphide ◽  
Cds Quantum Dots ◽  
Total Scattering ◽  
X Ray ◽  
Scattering Study

Four types of magic-size CdS clusters and three different CdS quantum dots have been studied using the technique of X-ray total scattering and pair distribution function analysis.

scholarly journals Local structure of In0.5Ga0.5As from joint high-resolution and differential pair distribution function analysis

2000 ◽  
Vol 88 (2) ◽  
pp. 665-672 ◽  
Author(s):  
V. Petkov ◽  
I.-K. Jeong ◽  
F. Mohiuddin-Jacobs ◽  
Th. Proffen ◽  
S. J. L. Billinge ◽  
...  
Keyword(s):  
Distribution Function ◽  
High Resolution ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Differential Pair

Similarities in 2- and 6-Line Ferrihydrite Based on Pair Distribution Function Analysis of X-ray Total Scattering

2007 ◽  
Vol 19 (6) ◽  
pp. 1489-1496 ◽  
Author(s):  
F. M. Michel ◽  
L. Ehm ◽  
G. Liu ◽  
W. Q. Han ◽  
S. M. Antao ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Total Scattering ◽  
X Ray

scholarly journals Effect of molten sodium nitrate on the decomposition pathways of hydrated magnesium hydroxycarbonate to magnesium oxide probed by in situ total scattering

Nanoscale ◽  
2020 ◽  
Vol 12 (31) ◽  
pp. 16462-16473
Author(s):  
Margarita Rekhtina ◽  
Alessandro Dal Pozzo ◽  
Dragos Stoian ◽  
Andac Armutlulu ◽  
Felix Donat ◽  
...  
Keyword(s):  
Distribution Function ◽  
Sodium Nitrate ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Magnesium Carbonate ◽  
Scattering Data ◽  
Total Scattering ◽  
Molten Sodium ◽  
Complementary Techniques

We use pair distribution function analysis of in situ total scattering data and complementary techniques to reveal how molten NaNO3 modifies the decomposition pathways of a hydrated magnesium carbonate to the formation of MgO.

scholarly journals Formation and growth mechanism for niobium oxide nanoparticles: Atomistic insight from in situ X-ray total scattering

Nanoscale ◽  
2021 ◽  
Author(s):  
Olivia Aalling-Frederiksen ◽  
Mikkel Juelsholt ◽  
Andy Sode Anker ◽  
Kirsten Marie Ørnsbjerg Jensen
Keyword(s):  
Distribution Function ◽  
Growth Mechanism ◽  
Pair Distribution Function ◽  
Niobium Oxide ◽  
Function Analysis ◽  
Nucleation And Growth ◽  
Oxide Nanoparticles ◽  
Total Scattering ◽  
X Ray

Understanding the mechanisms for nanoparticle nucleation and growth is crucial for the development of tailormade nanomaterials. Here, we use X-ray total scattering and Pair Distribution Function analysis to follow the...

Sign in / Sign up

Export Citation Format

Share Document