Applications of powder X-ray diffraction in small molecule pharmaceuticals: achievements and aspirations

NK Thakral, RL Zanon, RC Kelly, S Thakral - Journal of pharmaceutical …, 2018 - Elsevier
Since the discovery of X-ray diffraction and its potential to elucidate crystal symmetry,
powder X-ray diffraction has found diverse applications in the field of pharmaceutical …

Structure of an amorphous calcium carbonate phase involved in the formation of Pinctada margaritifera shells

TA Grünewald, S Checchia, H Dicko… - Proceedings of the …, 2022 - National Acad Sciences
Some mollusc shells are formed from an amorphous calcium carbonate (ACC) compound,
which further transforms into a crystalline material. The transformation mechanism is not fully …

XRDUA: crystalline phase distribution maps by two-dimensional scanning and tomographic (micro) X-ray powder diffraction

W De Nolf, F Vanmeert, K Janssens - Journal of Applied …, 2014 - journals.iucr.org
Imaging of crystalline phase distributions in heterogeneous materials, either plane projected
or in virtual cross sections of the object under investigation, can be achieved by scanning X …

3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography

CK Egan, SDM Jacques, MD Wilson, MC Veale… - Scientific reports, 2015 - nature.com
We report the development of laboratory based hyperspectral X-ray computed tomography
which allows the internal elemental chemistry of an object to be reconstructed and …

Real-time multi-length scale chemical tomography of fixed bed reactors during the oxidative coupling of methane reaction

A Vamvakeros, D Matras, SDM Jacques, M di Michiel… - Journal of catalysis, 2020 - Elsevier
In this work, we present the results from multi-length-scale studies of a Mn-Na-W/SiO 2 and a
La-promoted Mn-Na-W/SiO 2 catalyst during the oxidative coupling of methane reaction. The …

Recent advances in the characterization of amorphous pharmaceuticals by X-ray diffractometry

S Thakral, MW Terban, NK Thakral… - Advanced Drug Delivery …, 2016 - Elsevier
For poorly water soluble drugs, the amorphous state provides an avenue to enhance oral
bioavailability. The preparation method, in addition to sample history, can dictate the nature …

Validation of non-negative matrix factorization for rapid assessment of large sets of atomic pair distribution function data

CH Liu, CJ Wright, R Gu, S Bandi… - Journal of Applied …, 2021 - journals.iucr.org
The use of the non-negative matrix factorization (NMF) technique is validated for
automatically extracting physically relevant components from atomic pair distribution …

X-ray transparent proton-exchange membrane fuel cell design for in situ wide and small angle scattering tomography

I Martens, A Vamvakeros, R Chattot, MV Blanco… - Journal of Power …, 2019 - Elsevier
We have constructed a 5 cm 2 proton exchange membrane hydrogen fuel cell optimized for
transparency of high energy X-rays. This cell allows for in situ elastic scattering …

[HTML][HTML] Progress towards five dimensional diffraction imaging of functional materials under process conditions

AM Beale, SDM Jacques, EK Gibson… - Coordination Chemistry …, 2014 - Elsevier
In recent times there has been much progress in the imaging of functional materials under
the process conditions typically used in a real industrial process. In this article the progress …

Chemical structures of specific sodium ion battery components determined by operando pair distribution function and X‐ray diffraction computed tomography

J Sottmann, M Di Michiel, H Fjellvåg… - Angewandte Chemie …, 2017 - Wiley Online Library
To improve lithium and sodium ion battery technology, it is imperative to understand how the
properties of the different components are controlled by their chemical structures. Operando …