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Instruments / Technical Area	Publication Details	Published	Actions
I18-Microfocus Spectroscopy	Relationships between pathology and crystal structure in breast calcifications: an in situ X-ray diffraction study in histological sections Robert Scott , Nicholas Stone , Catherine Kendall , Kalotina Geraki , Keith Rogers Npj Breast Cancer 2 DOI: 10.1038/npjbcancer.2016.29 Diamond Proposal Number(s): [12303] Open Access Show Abstract ▼ Abstract: Calcifications are not only one of the most important early diagnostic markers of breast cancer, but are also increasingly believed to aggravate the proliferation of cancer cells and invasion of surrounding tissue. Moreover, this influence appears to vary with calcification composition. Despite this, remarkably little is known about the composition and crystal structure of the most common type of breast calcifications, and how this differs between benign and malignant lesions. We sought to determine how the phase composition and crystallographic parameters within calcifications varies with pathology, using synchrotron X-ray diffraction. This is the first time crystallite size and lattice parameters have been measured in breast calcifications, and we found that these both parallel closely the changes in these parameters with age observed in fetal bone. We also discovered that these calcifications contain a small proportion of magnesium whitlockite, and that this proportion increases from benign to in situ to invasive cancer. When combined with other recent evidence on the effect of magnesium on hydroxyapatite precipitation, this suggests a mechanism explaining observations that carbonate levels within breast calcifications are lower in malignant specimens.	Sep 2016
B16-Test Beamline	High Throughput X-ray Diffraction Analysis of Combinatorial Polycrystalline Thin Film Libraries Scilla Roncallo , Omeed Karimi , Keith Rogers , John Gregoire , David Lane , Jonathan J. Scragg , Salman Ansari Analytical Chemistry 82 (11), 45644569 DOI: 10.1021/ac100572h Show Abstract ▼ Abstract: With the increasing demand for new materials, analytical techniques which are able to rapidly characterize a large number of samples are becoming indispensable. Thin film technology has the potential to improve the amount of information contained on as-deposited samples by creating compositionally graded libraries. Conventionally, raster scan methods are used to interrogate such libraries but, in this paper, a different approach is presented to provide a method of high-throughput data collection and analysis using an X-ray diffraction (XRD) probe. An extended X-ray beam was used to illuminate the libraries, and a large area detector was used to collect the data. A new algorithm "Bandit" has been employed to analyze the collected data and extract the crystallographic information. The results of the technique have been compared with the raster scans showing that the algorithm provides reliable data at a significantly increased data acquisition speed.	May 2010

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