Synchrotron Radiation and Crystallography: the First 50 Years

Helliwell, John R.

doi:10.1107/s0108767398006692

Cited by 37 publications

(8 citation statements)

References 22 publications

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“…These estimates are for Soleil, France, but they are of the same order in many recent 'national' synchrotron sources (SLS in Switzerland, Diamond in UK, Elettra in Italy), which are in the 2-3 GeV range. A recent review of existing and future synchrotron sources is found in Bilderback et al (2005), and it is interesting to refer to Helliwell (1998) for history. Sources in the 6-8 GeV range, like ESRF, APS and SPring 8, have the main advantage of providing larger brilliance in the higher-energy range (E > 8 keV).…”

Section: Figurementioning

confidence: 99%

Diffraction with a coherent X-ray beam: dynamics and imaging

Livet

2007

Acta Cryst Sect A

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Methods for carrying out coherent X‐ray scattering experiments are reviewed. The brilliance of the available synchrotron sources, the characteristics of the existing optics, the various ways of obtaining a beam of controlled coherence properties and the detectors used are summarized. Applications in the study of the dynamics of speckle patterns are described. In the case of soft condensed matter, the movement of inclusions like fillers in polymers or colloidal particles can be observed and these can reflect polymer or liquid‐crystal fluctuations. In hard condensed‐matter problems, like phase transitions, charge‐density waves or phasons in quasicrystals, the study of speckle fluctuations provides new time‐resolved methods. In the domain of lensless imaging, the coherent beam gives the modulus of the sample Fourier transform. If oversampling conditions are fulfilled, the phase can be obtained and the image in the direct space can be reconstructed. The forthcoming improvements of all these techniques are discussed.

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Section: Figurementioning

confidence: 99%

Diffraction with a coherent X-ray beam: dynamics and imaging

Livet

2007

Acta Cryst Sect A

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“…One topic of interest shared by CD studies and protein crystallography is the experiment because both require the best attainable data to give the most reliable answer to a particular structural problem. Here both research areas, CD (Coppens et al, 1974;Larsen, 1995;Stalke, 1998;Hardie et al, 1998) and macromolecular crystallography (Hope, 1990;Garman, 1999;Petrova et al, 2006;Chinte et al, 2007) usually rely on the use of low-temperature data collection and synchrotron radiation (Coppens, 1992;Helliwell, 1998); for example, when trying to identify the protonation state of a residue (Dauter et al, 1997), when collecting multiple anomalous dispersion data for solving the phase problem (Dauter et al, 1998), or when data devoid of strong bias from extinction and absorption of metal containing coordination complexes are collected to the highest possible resolution with hard X-rays (Schmö kel et al, 2013).…”

Section: Combining Experimental CD and Protein Crystallographymentioning

confidence: 99%

Contributions of charge-density research to medicinal chemistry

Dittrich¹,

Matta

2014

IUCrJ

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This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares refinement of asphericalatom population parameters are summarized. Next, interaction density is discussed as an idealized situation resembling drug-receptor interactions. Scattering-factor databases play an increasing role in charge-density research, and they can be applied both to small-molecule and macromolecular structures in refinement and analysis; software development facilitates their use. Therefore combining both of these complementary branches of X-ray crystallography is recommended, and examples are given where such a combination already proved useful. On the side of the experiment, new pixel detectors are allowing rapid measurements, thereby enabling both high-throughput small-molecule studies and macromolecular structure determination to higher resolutions. Currently, the most ambitious studies compute intermolecular interaction energies of drug-receptor complexes, and it is recommended that future studies benefit from recent method developments. Selected new developments in theoretical charge-density studies are discussed with emphasis on its symbiotic relation to crystallography.

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“…Among the first crystal structures to be solved from synchrotron powder diffraction data was BeH 2 by Smith et al in 1988. [142] Further information about the history of synchrotron light sources and the first diffraction experiments can be found in the reviews of Holmes and Rosenbaum, [143] Helliwell, [144] and Paszkowicz. [7] Figure 16.…”

Section: The Post-rietveld Eramentioning

confidence: 99%

A Century of Powder Diffraction: a Brief History

Etter

Dinnebiér

2014

Zeitschrift anorg allge chemie

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Almost a century has passed since the pioneering work of Debye, Scherrer, and Hull and their first powder X-ray diffraction experiments in 1916/17. Although these pioneers and many others discovered most of the fundamental concepts in the field of powder diffraction within the first few years, nobody at that time could foresee the development of the computer and its calculating power in the 21st century. The general availability of computing power changed the field of powder diffraction, as Hugo Rietveld showed with his computerassisted whole powder pattern fitting concept around fifty years after

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Synchrotron Radiation and Crystallography: the First 50 Years

Cited by 37 publications

References 22 publications

Diffraction with a coherent X-ray beam: dynamics and imaging

Diffraction with a coherent X-ray beam: dynamics and imaging

Contributions of charge-density research to medicinal chemistry

A Century of Powder Diffraction: a Brief History

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