(IUCr) Research newshttps://www.iucr.org/news/research-newsSend brief notices about jobs, meetings, software releases, new publications or other activities of crystallographic interest to the News Online Editor (news.online@iucr.org).Special issue on electron crystallographySpecial issue on electron crystallographyhttps://www.iucr.org/news/research-news/special-issue-on-electron-crystallographySpecial issue on mineralogical crystallographySpecial issue on mineralogical crystallographyhttps://www.iucr.org/news/research-news/special-issue-on-mineralogical-crystallographySpecial issue on PolyoxometalatesSpecial issue on Polyoxometalateshttps://www.iucr.org/news/research-news/special-issue-on-polyoxometalatesThe importance of careful refinementThe importance of careful refinementhttps://www.iucr.org/news/research-news/the-importance-of-careful-refinementSimulating cold aqueous environments on Earth and other planetary bodiesSimulating cold aqueous environments on Earth and other planetary bodieshttps://www.iucr.org/news/research-news/simulating-cold-aqueous-environments-on-earth-and-other-planetary-bodiesPtychograph image resolutionPtychograph image resolutionhttps://www.iucr.org/news/research-news/ptychographyHydrophobic dipeptides: the final piece in the puzzleHydrophobic dipeptides: the final piece in the puzzlehttps://www.iucr.org/news/research-news/hydrophobic-dipeptides-the-final-piece-in-the-puzzleAdvanced neutron scattering instrumentationAdvanced neutron scattering instrumentationhttps://www.iucr.org/news/research-news/advanced-neutron-scattering-instrumentationWeak interactions in crystals: an integrated approachWeak interactions in crystals: an integrated approachhttps://www.iucr.org/news/research-news/weak-interactions-in-crystals-an-integrated-approachPublication guidelines for biomolecular small-angle scattering<p>Small-angle scattering continues to increase in popularity for structure
biology studies. The technique can provide structural information that is both
accurate and precise and, especially when used in combination with other
complementary data, of considerable value for studying individual molecules,
complexes and assemblies.</p><p></p>https://www.iucr.org/news/research-news/publication-guidelines-for-biomolecular-small-angle-scatteringGigaFRoST: the gigabit fast readout system for tomography<p>A thorough understanding of dynamic processes in areas as diverse as biomechanics, materials science miniature engineering, and energy research relies on our ability to observe structural changes of materials in three-dimensional detail at high speeds.</p>
https://www.iucr.org/news/research-news/gigafrost-the-gigabit-fast-readout-system-for-tomographyProtein microcrystallography using synchrotron radiationThe progress in X-ray microbeam applications using synchrotron radiation is beneficial to structure determination from macromolecular microcrystals such as small in meso crystals.https://www.iucr.org/news/research-news/protein-microcrystallography-using-synchrotron-radiationIUCr bursary case study:Structural and biological study of tin-based complexes against enzymes that propagate cancerCisplatin and its subsequent clinical success generated interest in researchers with regards to the use of metal complexes as anticancer drugs. Cisplatin still plays a major role in treating over 90% of testicular cancer cases and is now one of the most successful anticancer drugs available on the market.
https://www.iucr.org/news/research-news/iucr-bursary-case-studystructural-and-biological-study-of-tin-based-complexes-against-enzymes-that-propagate-cancerA tribute to Professor Philip CoppensThis special issue is dedicated to a lifetime of outstanding scientific achievements by Professor Philip Coppens. Originally a tribute to his recent retirement, this collection of papers – approved by Philip – was submitted by former students, postdocs, close friends and collaborators of Philip.
https://www.iucr.org/news/research-news/a-tribute-to-professor-philip-coppensQuality assurance in microbeam radiation therapyMicrobeam radiation therapy (MRT) is an innovative preclinical radiotherapy procedure consisting of many micrometre-sized spatially fractionated radiation fields, obtained by collimating a beam of synchrotron radiation with a multi-slit collimator.
https://www.iucr.org/news/research-news/quality-assurance-in-microbeam-radiation-therapyPreclinical radiotherapy at the Australian Synchrotron Imaging and Medical Beamline<p>Therapeutic
applications of synchrotron X-rays such as microbeam (MRT) and minibeam (MBRT)
radiation therapy promise significant advantages over conventional clinical
techniques for some diseases if successfully transferred to clinical practice.</p>
https://www.iucr.org/news/research-news/preclinical-radiotherapy-at-the-australian-synchrotron-imaging-and-medical-beamlinePioneering X-ray technique to analyse ancient artefactsA pioneering X-ray technique that can analyse artefacts of any shape or texture in a non-destructive way has been developed by an international team of scientists.
https://www.iucr.org/news/research-news/pioneering-x-ray-technique-to-analyse-ancient-artefactsProtein crystallography and drug discovery: recollections of knowledge exchange between academia and industry<p>In this review <i>IUCrJ</i>.
(2017), <b>4</b>, 308-321 on the occasion of the award of the 2017 Ewald Prize
by the IUCr, I present a personal view of the relationship between academia and
industry in the development of structure-guided drug discovery.</p>
https://www.iucr.org/news/research-news/protein-crystallography-and-drug-discovery-recollections-of-knowledge-exchange-between-academia-and-industryIntroducing the Proceedings of the CCP-EM Spring Symposium<p>The Proceedings of the CCP-EM Spring Symposium have been
published in <i>Acta Crystallographica Section D: Structural Biology</i> <a href="http://journals.iucr.org/d/issues/2017/06/00/me0653/index.html">http://journals.iucr.org/d/issues/2017/06/00/index.html</a>.
The symposium is an annual conference which aims to review and highlight
state-of-the-art developments in macromolecular cyro-electron microscopy in an
accessible and convivial manner.</p>
https://www.iucr.org/news/research-news/introducing-the-proceedings-of-the-ccp-em-spring-symposiumA large-solid-angle X-ray Raman scattering spectrometerS. Huotari and co-workers <a href="http://https//doi.org/10.1107/S1600577516020579"><i>J.Sync. Rad</i>. (2017), <b>24</b>, 521-530</a> describe an end-station for X-ray Raman spectroscopy at beamline ID20 of the European Synchrotron Radiation Facility. The end-station is dedicated to the study of shallow core electronic excitations using non-resonant inelastic X-ray scattering.
https://www.iucr.org/news/research-news/a-large-solid-angle-x-ray-raman-scattering-spectrometerIn-cell NMR: a topical review <p>In-cell NMR has emerged in the past decade as a unique approach to obtain structural and functional information on biological macromolecules within living cells at atomic resolution.</p><p></p>https://www.iucr.org/news/research-news/in-cell-nmr-a-topica-reviewNMR CrystallographyDavid Bryce and Francis Taulelle introduce a special issue of <em>Acta Crystallographica Section C</em> on <a href="http://journals.iucr.org/c/issues/2017/03/00">NMR Crystallography</a> where the contributions serve as an excellent introduction to the power and scope of NMR crystallographic methods and applications.
https://www.iucr.org/news/research-news/nmr-crystallographyCrystal structure prediction: A special issue<p>This <a href="http://journals.iucr.org/b/issues/2016/04/00/index.html">special issue</a> in <em><a href="http://journals.iucr.org/b/">Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials</a> </em>showcases recent
work in the area of crystal structure prediction (CSP). The prediction of
crystal structures of organic molecules continues to attract considerable
interest; the problem is fundamentally attractive for theoreticians and computational
scientists, and the methods developed in this area have an important role to
play in the development of molecular materials.</p>
https://www.iucr.org/news/research-news/crystal-structure-prediction-a-special-issueX-ray radiation damage to biological macromolecules: further insights<p>There
are eight papers on various aspects of radiation damage in the latest issue of
the <i>Journal of Synchrotron Radiation</i>. The studies reported on macromolecular
crystallography (MX) and small-angle scattering (SAXS) experiments were
presented at the 9<sup>th</sup> International Workshop on Radiation Damage to
Biological Crystalline Samples</p><p></p>https://www.iucr.org/news/research-news/x-ray-radiation-damage-to-biological-macromolecules-further-insightsSmall-angle scattering
<p>A fully
open-access virtual <a href="http://journals.iucr.org/special_issues/2016/sas2015/">special edition</a>
of <a href="http://journals.iucr.org/j/">Journal of Applied Crystallography</a>
publishes work that provides insights into ongoing developments in the field of
small-angle neutron and X-ray scattering (SANS and SAXS) covering different
areas of fundamental and applied research. </p>
https://www.iucr.org/news/research-news/small-angle-scatteringQuantifying radiation damage in SAXS experimentsBiological
small-angle X-ray scattering (SAXS) is an experimental technique that provides
low-resolution structural information on
macromolecules.https://www.iucr.org/news/research-news/quantifying-radiation-damage-in-saxs-experimentsMicroseeding: a new way to overcome hemihedral twinning?Twinning, which is a known problem in protein crystallography, usually hampers high-quality crystal structure determination unless it is detected and either avoided or corrected.
https://www.iucr.org/news/research-news/microseeding-a-new-way-to-overcome-hemihedral-twinningA step to understanding polymorphsIn a paper published in <em>Acta Cryst. B</em>, (2016), doi: <a href="https://doi.org/10.1107/S2052520616017297">10.1107/S2052520616017297</a> Carol Brock of the University of Kentucky looks at some of the organizing principles behind crystal structures with high <em>Z’.</em>This study lies at the very heart of understanding and being able to control properties of molecular structures.
https://www.iucr.org/news/research-news/a-step-to-understanding-polymorphsWhy keep the raw data?The increasingly popular subject of raw diffraction data deposition is examined in a Topical Review in <strong>IUCrJ</strong> [Kroon-Batenburg, Helliwell, McMahon & Terwilliger (2017). <em>IUCrJ</em>, <strong>4</strong>, doi:10.1107/S2052252516018315].
https://www.iucr.org/news/research-news/why-keep-the-raw-dataThe coming of age of macromolecular neutron crystallography<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">The
protein crystallography station (PCS), located at the Los Alamos Neutron
Scattering Center (LANSCE), was the first macromolecular crystallography
beamline to be built at a spallation neutron source.</span>
https://www.iucr.org/news/research-news/the-coming-of-age-of-macromolecular-neutron-crystallographyScreen to beam technology: the rise of haptic interfaces<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-fareast-font-family:"Droid Sans Fallback";
color:#00000A;mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:
AR-SA">Haptic interfaces have been readily adopted because of their intuitive
ease of use and convenience. Obvious examples are the screens for your mobile
phone or other computing devices where keyboards have been eliminated. This
technology, which has been welcomed in everyday life, can also find a home in
scientific research.</span>https://www.iucr.org/news/research-news/screen-to-beam-technology-the-rise-of-haptic-interfacesImpact and influence of crystallography across the sciences<p class="MsoNormal"><span lang="EN-GB">The first
diffraction experiment on a single crystal of copper sulfate by Max von Laue in
1912 and subsequent interpretation by Lawrence Bragg gave birth to the field of
crystallography.<o:p></o:p></span></p>
https://www.iucr.org/news/research-news/impact-and-influence-of-crystallography-across-the-sciencesSize exclusion chromatography combined in situ with small-angle neutron scattering<span style="font-size:11.0pt;line-height:115%;
font-family:"Calibri","sans-serif";mso-fareast-font-family:"Droid Sans Fallback";
mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Small-angle
scattering is a powerful technique that can yield important structural
information on macromolecular systems.</span>
https://www.iucr.org/news/research-news/size-exclusion-chromatography-combined-in-situ-with-small-angle-neutron-scatteringReal-time image-content-based beamline control for smart 4D X-ray imaging<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Synchrotron-radiation-based
imaging diagnostics has become a reliable tool for systematic examination of
chemical and biological samples in various research areas. </span>
https://www.iucr.org/news/research-news/real-time-image-content-based-beamline-control-for-smart-4d-x-ray-imagingA public database of macromolecular diffraction experimentsThe reproducibility of published experimental results has recently attracted attention in many different scientific fields. The lack of availability of original primary scientific data represents a major factor contributing to reproducibility problems, however, the structural biology community has taken significant steps towards making experimental data available.
https://www.iucr.org/news/research-news/a-public-database-of-macromolecular-diffraction-experimentsMAGNDATA: towards a database of magnetic structures<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">The
quantitative characterisation of the magnetic ordering realised in magnetic
phases is an essential part of research into the magnetic properties of solids.
It is certainly fundamental for the cross-checking of theoretical models and
for the exploration of complex solid-state magnetic phenomena. </span>
https://www.iucr.org/news/research-news/magndata-towards-a-database-of-magnetic-structuresImportance of diffuse scattering for materials science<span>The properties of many technological important materials are intimately associated with the inherent disorder that exists in their crystal structures.</span>
https://www.iucr.org/news/research-news/importance-of-diffuse-scattering-for-materials-scienceAbsolute structure determination: pushing the limits<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-fareast-font-family:"Droid Sans Fallback";
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">It
was the Softenon disaster that made the pharmaceutical industry fully aware of
the importance of knowing the enantiomeric purity and chirality of drugs and
their metabolites. This disaster involved the chiral drug Thalidomide that was
sold in the 1950s as a racemate under various brand names such as Contergan and
Softenon. </span>
https://www.iucr.org/news/research-news/absolute-structure-determination-pushing-the-limitsThe new neutron grating interferometer at the ANTARES beamline<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"></span>Neutron
radiography is a non-destructive imaging technique, which provides information
about the interior of an object with high spatial resolution by using neutron
radiation.In contrast
to X-ray radiography, neutron imaging is sensitive to some light elements such
as hydrogen or lithium, while most heavy elements such as, for example, lead
and aluminium can easily be penetrated. <span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"></span>https://www.iucr.org/news/research-news/the-new-neutron-grating-interferometer-at-the-antares-beamlineDetermining the structures of complex biological molecules<span style="font-size:11.0pt;line-height:115%;
font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;
mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">In
the past decade there have been huge improvements in synchrotron sources,
instrumentation at macromolecular crystallography (MX) beamlines, X-ray
detectors, and data-processing and structure-determination software. </span>
https://www.iucr.org/news/research-news/determining-the-structures-of-complex-biological-moleculesSynchrotron X-ray footprinting helps visualise water in proteins<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Water
molecules play an active role in a number of protein-dependent functions.
Because proteins are the central players in cellular activities it is of vital
importance to understand protein-water interactions. </span>
https://www.iucr.org/news/research-news/synchrotron-x-ray-footprinting-helps-visualise-water-in-proteinsNeutron crystallography aids in drug design<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Neutron
crystallography is an important complementary technique to X-ray
crystallography since it provides details of the hydrogen atom and proton
positions in biological molecules.</span>
https://www.iucr.org/news/research-news/neutron-crystallography-aids-in-drug-designThe BioSAXS beamline at the Shanghai Synchrotron Radiation Facility<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-fareast-font-family:"Droid Sans Fallback";
mso-bidi-font-family:Calibri;color:#00000A;mso-ansi-language:EN-GB;mso-fareast-language:
EN-US;mso-bidi-language:AR-SA"></span>The new biological
small-angle X-ray scattering (BioSAXS) beamline (BL19U2) at the Shanghai
Synchrotron Radiation Facility (SSRF) is the first facility in China dedicated
exclusively to SAXS experiments on biological macromolecules in solution.<span style="font-size:11.0pt;
line-height:115%;font-family:"Calibri","sans-serif";mso-fareast-font-family:
"Droid Sans Fallback";mso-bidi-font-family:Calibri;color:#00000A;mso-ansi-language:
EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"></span>
https://www.iucr.org/news/research-news/the-biosaxs-beamline-at-the-shanghai-synchrotron-radiation-facilityX-ray optics on a chip<p class="MsoNormal"><span lang="EN-GB">Waveguides
are widely used for filtering, confining, guiding, coupling or splitting beams
of visible light. However, creating waveguides that could do the same for
X-rays has posed tremendous challenges in fabrication, so they are still only
in an early stage of development.<o:p></o:p></span></p>
https://www.iucr.org/news/research-news/x-ray-optics-on-a-chipA collection of computer programs for Free-electron Laser researchFree Electron Lasers (FELs) are transforming photon science and its various applications. Compared to X-ray pulses from third-generation synchrotron light sources, FEL pulses are 10<sup>10</sup> times higher in peak brightness, are 10<sup>9</sup> times higher in their coherence degeneracy parameters and provide femtosecond-attosecond time resolutions.
https://www.iucr.org/news/research-news/a-collection-of-computer-programs-for-free-electron-laser-researchSixth blind test of organic crystal-structure prediction methodsOrganic molecules can have a remarkable array of solid forms, including different polymorphs and various multi-component systems, such as salts and co-crystals. The potential diversity of this solid-form landscape presents both opportunities and headaches for the practical use of molecules in solid forms.
https://www.iucr.org/news/research-news/sixth-blind-test-of-organic-crystal-structure-prediction-methodsCryogenic coherent X-ray diffraction imaging of biological cells by X-ray free-electron lasersCoherent X-ray diffraction imaging (CXDI) has been used to visualise the internal structures of non-crystalline particles with dimensions of micrometers to sub-micrometers in materials science and biology.
https://www.iucr.org/news/research-news/cryogenic-coherent-x-ray-diffraction-imaging-of-biological-cells-by-x-ray-free-electron-lasersImaging enzyme kinetics at atomic resolution<span>The 1958 Nobel prize to Beadle and Tatum for proposing, in the main, that each gene is responsible for a distinct enzyme is now seen as both foundational to molecular biology and genetics.</span>
https://www.iucr.org/news/research-news/imaging-enzyme-kinetics-at-atomic-resolutionUsing energy-resolved neutron imaging to spot the difference<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">The
ability of neutrons to penetrate relatively thick metal objects allows the use
of various non-destructive testing techniques when other more conventional
methods (e.g. laboratory X-ray) cannot be implemented. </span>
https://www.iucr.org/news/research-news/using-energy-resolved-neutron-imaging-to-spot-the-differenceCombustion researchThe need to control pollutant emissions from the combustion of fossil fuels motivates interest in understanding these processes. Combustion phenomena are basically chemical processes with rapid heat production.
https://www.iucr.org/news/research-news/combustion-researchMethod to focus an X-ray beam for potentially more efficient radiation therapy<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-fareast-font-family:"Droid Sans Fallback";
mso-bidi-font-family:Calibri;mso-ansi-language:EN-GB;mso-fareast-language:EN-US;
mso-bidi-language:AR-SA">External beam radiotherapy is a technique commonly
used for the treatment of tumours. The most widely used particles for
radiotherapy are protons, electrons and X-rays. </span>
https://www.iucr.org/news/research-news/method-to-focus-an-x-ray-beam-for-potentially-more-efficient-radiation-therapyNew system developed at EMBL automates crystals preparation for X-ray analysis<p class="MsoNormal">CrystalDirect streamlines the process of preparing crystals
for X-ray diffraction experiments. Whereas scientists currently have to harvest
and treat the crystals by hand, samples processed at EMBL’s <a href="http://www.embl.fr/research/unit/marquez/index.html">high-throughput crystallisation (HTX)
lab in Grenoble</a> can now be loaded in the system at one end and
the relevant data collected at the other, with little more than a
mouse-click in-between.<o:p></o:p></p>
https://www.iucr.org/news/research-news/new-system-developed-at-embl-automates-crystals-preparation-for-x-ray-analysisRadiation damage in a nucleoprotein complexRadiation damage has been a curse of
macromolecular crystallography from its early days but recent work to systematically quantify its effect on nucleoprotein complexes suggests that RNA may protect
these complexes
https://www.iucr.org/news/research-news/radiation-damage-in-a-nucleoprotein-complexPotentially hazardous dental bur debris under fillingsDental burs are used extensively in dentistry to mechanically prepare tooth structures for restorations (fillings); dental burs can be made of stainless steel, diamond or tungsten carbide (WC) cemented with cobalt or nickel.
https://www.iucr.org/news/research-news/potentially-hazardous-dental-bur-debris-under-fillingsSynchrotron used to find structure of a new material that could be found on the surface of Saturn’s moon TitanAn ANSTO Planetary Materials scientist has used the Australian Synchrotron to identify the structure of a new material that could be crucial in understanding the hydrological cycle on Titan, the largest moon of Saturn, and important in assessing its potential habitability.
https://www.iucr.org/news/research-news/synchrotron-used-to-find-structure-of-a-new-material-that-could-be-found-on-the-surface-of-saturns-moon-titanHybrid pixel array detectors enter the low-noise regimeThe detector group at the Swiss Light Source at PSI shows that it is now possible to develop hybrid pixel array detectors with sufficient low noise to allow single-photon detection below 1 keV as well as to perform spectroscopic imaging.
https://www.iucr.org/news/research-news/hybrid-pixel-array-detectors-enter-the-low-noise-regime2The updated crystalline sponge methodX-ray crystallographic analysis is one of the only methods that provides direct information on molecular structures at the atomic level. The method, however, has the intrinsic limitation that the target molecules must be crystalline, and high-quality single crystals must be prepared before measurement.
https://www.iucr.org/news/research-news/the-updated-crystalline-sponge-methodIrregular silicon wafer breakage studied in real-time by direct and diffraction X-ray imagingFracture and breakage of single crystals, particularly of silicon wafers, are multi-scale problems: the crack tip starts propagating on an atomic scale with the breaking of chemical bonds, forms crack fronts through the crystal on the micrometre scale and ends macroscopically in catastrophic wafer shattering.
https://www.iucr.org/news/research-news/irregular-silicon-wafer-breakage-studied-in-real-time-by-direct-and-diffraction-x-ray-imagingDetermining the structures of nanocrystalline pharmaceuticals by electron diffractionReliable information about the structure of pharmaceutical compounds is important for patient safety, for the development of related drugs and for patenting purposes. However, working out the structures of pharmaceuticals can be tough.
https://www.iucr.org/news/research-news/determining-the-structures-of-nanocrystalline-pharmaceuticals-by-electron-diffractionCrystal and magnetic structure of multiferroic hexagonal manganite<p class="MsoNormal"><span lang="EN-GB">Ever since Pierre Curie conjectured on “the symmetry in physical phenomena, symmetry of an
electric field and a magnetic field” in 1894, it has long been a dream for material
scientists to search for this rather unusual class of material exhibiting the
coexistence of magnetism and ferroelectricity in a single compound known as a
multiferroic compound.<o:p></o:p></span></p>
https://www.iucr.org/news/research-news/crystal-and-magnetic-structure-of-multiferroic-hexagonal-manganiteTwisted X-rays unravel the complexity of helical structuresSince the discovery of the diffraction of X-rays by crystals just over 100 years ago, X-ray diffraction as a method of structure determination has dominated structural research in materials science and biology. However, many of the most important materials whose structures remain unknown do not readily crystallize as three-dimensional periodic structures.
https://www.iucr.org/news/research-news/twisted-x-rays-unravel-the-complexity-of-helical-structuresNucleoprotein C-terminal domain from the Ebola and Marburg viruses<p><em>Ebolavirus</em> and <em>Marburgvirus</em> belong to a virus family called <em>Filoviridae</em> and can cause severe hemorrhagic fever in humans. The outbreak of Ebola virus disease (EVD) in West Africa demonstrates the grave threat that these viruses pose globally to human health. While the EVD outbreak is slowly losing momentum, it is still unprecedented, resulting in over 23 000 cases and more than 9000 deaths by late 2015.</p>
https://www.iucr.org/news/research-news/nucleoprotein-c-terminal-domain-from-the-ebola-and-marburg-virusesDigital enhancement of cryoEM photographs of protein nanocrystalsWhen cryoEM images are obtained from protein nanocrystals the images themselves can appear to be devoid of any contrast. A group of scientists from the Netherlands have now demonstrated that lattice information can be revealed and enhanced by a specialized filter.
https://www.iucr.org/news/research-news/digital-enhancement-of-cryoem-photographs-of-protein-nanocrystalsFEL photon diagnostics, instrumentation and beamlines designA selection of papers from the <span style="font-family: Arial, sans-serif; font-size: 13.3333px; line-height: 15.3333px;">PhotonDiag2015 Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines Design has been published in the January 2016 issue of the <em>Journal of Synchrotron Radiation</em>.</span>
https://www.iucr.org/news/research-news/fel-photon-diagnostics,-instrumentation-and-beamlines-design2Rising to the challenge of SAD phasing for SFXSulfur SAD phasing facilitates the structure determination of diverse native proteins using femtosecond X-rays from free-electron lasers via serial femtosecond crystallography.
https://www.iucr.org/news/research-news/rising-to-the-challenge-of-sad-phasing-for-sfxEnergy materialsThe relationship between structure and properties is one of the most important and pervasive paradigms in physical sciences. It provides a means for understanding complex behaviour in materials at an atomistic level, and establishes a framework for the design of materials with specifically targeted properties.
https://www.iucr.org/news/research-news/energy-materialsPreserving diffraction images as part of the scientific recordA suite of recent articles on the platins and histidine in IUCr journals now contains DOI links to diffraction data images stored at an institutional repository.
https://www.iucr.org/news/research-news/preserving-diffraction-imagesMetal-organic frameworks: the pressure is onMetal-organic frameworks: the pressure is onhttps://www.iucr.org/news/research-news/metal-organic-frameworks-the-pressure-is-onStrain determination from digital image correlation of Laue diffraction spotsAccurate strain/stress characterization has important implications in practice, where it is typically connected with safe operation of engineering components.
https://www.iucr.org/news/research-news/strain-determination-from-digital-image-correlation-of-laue-diffraction-spotsA beamline that runs experiments by itself<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">MASSIF-1 is
a beamline for the fully automatic characterisation and data collection from
macromolecular crystals. The beamline has been open since September 2014 and to
date has processed 10,000 samples.</span>
https://www.iucr.org/news/research-news/a-beamline-that-runs-experiments-by-itselfThe complexity of modelling In recent years, advances in materials synthesis techniques have enabled scientists to produce increasingly complex functional materials with enhanced or novel macroscopic properties.
https://www.iucr.org/news/research-news/the-complexity-of-modellingPredicting X-ray diffuse scattering from translation-libration-screw structural ensembles<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"></span>Protein
flexibility is essential for enzymatic turnover, signalling regulation and
protein-protein interactions. Multiple
crystal structures are routinely compared to identify these motions and to
derive hypotheses about the role of correlated motions in executing protein
function. <span style="font-size:11.0pt;line-height:115%;
font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;
mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"></span>https://www.iucr.org/news/research-news/predicting-x-ray-diffuse-scattering-from-translation-libration-screw-structural-ensemblesNo such thing as ghosts?<p>Crystallographers are always pushing boundaries when it comes to determining complex structures with less than optimal experimental data. Here, two papers introduce a new phasing method, the <em>Phantom Derivative</em> approach.</p>
https://www.iucr.org/news/research-news/no-such-thing-as-ghosts2The challenges and potential for sub-atomic resolution X-ray crystallography and neutron crystallographyThe international year of crystallography saw the number of macromolecular structures deposited in the Protein Data Bank cross the 100,000 mark, with more than 90,000 of these provided by X-ray crystallography.
https://www.iucr.org/news/research-news/the-challenges-and-potential-for-sub-atomic-resolution-x-ray-crystallography-and-neutron-crystallographyThe MORPHEUS II protein crystallization screenHigh-quality macromolecular crystals are a prerequisite for the process of protein structure determination by X-ray diffraction. Unfortunately, the relative yield of diffraction-quality crystals from crystallization experiments is often very low.
https://www.iucr.org/news/research-news/the-morpheus-ii-protein-crystallization-screenBrookhaven Lab Study Explores Nanoscale Structure of Thin Films<h3 class="subhead" style="box-sizing: border-box; margin-top: 0.275em; margin-bottom: 0px; border: 0px; outline: 0px; font-family: OpenSansRegular, Arial, Helvetica, sans-serif; font-size: 18.2000007629395px; font-weight: normal; font-stretch: inherit; line-height: 21.8400001525879px; vertical-align: baseline; color: rgb(5, 97, 165);">Result opens new doors in thin-film research and provides early confirmation of the expected impact of the National Synchrotron Light Source II</h3>
https://www.iucr.org/news/research-news/brookhaven-lab-study-explores-nanoscale-structure-of-thin-filmsCharge density and optical properties of multicomponent crystals<span style="color: rgb(0, 0, 0); font-family: 'Times New Roman'; font-size: medium; line-height: normal;">Crystal engineering strategies towards optical materials based on active pharmaceutical molecules are highlighted.</span>
https://www.iucr.org/news/research-news/charge-density-and-optical-properties-of-multicomponent-crystals215th International Conference on the Crystallization of Biological Macromolecules (ICCBM15)<span style="color: rgb(0, 0, 0); font-family: 'Times New Roman'; font-size: medium; line-height: normal;"></span>The July 2015 issue of <i>Acta Crystallographica Section F, Structural Biology Communications</i> features a special selection of papers that elaborate on presentations made at the 15th International Conference on the Crystallization of Biological Macromolecules (ICCBM15), which was held in Hamburg, Germany, 17-20 September 2014.<span style="color: rgb(0, 0, 0); font-family: 'Times New Roman'; font-size: medium; line-height: normal;"></span>
https://www.iucr.org/news/research-news/15th-international-conference-on-the-crystallization-of-biological-macromolecules-iccbm15Journey into the crystalA travelling exhibition, <em>Journey into the crystal</em>, has been launched to share with the general public the importance of crystallography and the beauty of matter in the crystalline state. The exhibition takes visitors on a journey of discovery about matter, and on a journey through time to the beginning of crystallography.
https://www.iucr.org/news/research-news/journey-into-the-crystalAdvances in membrane protein crystallography<span>Two <em>in situ</em> high-throughput methodologies open up new perspectives in X-ray crystallography of membrane proteins and will provide a more rapid route to structure determination where the crystals are too small or fragile to mount, or where radiation sensitivity requires data collection from hundreds of crystals.</span>
https://www.iucr.org/news/research-news/advances-in-membrane-protein-crystallographyThe solvent component of macromolecular crystals<span style="color: rgb(0, 0, 0); font-family: 'Times New Roman'; font-size: medium; line-height: normal;">On average, the mother liquor or solvent and its constituents occupy about 50% of a macromolecular crystal. Ordered as well as disordered solvent components need to be accurately accounted for in modelling and refinement, often with considerable complexity.</span>
https://www.iucr.org/news/research-news/the-solvent-component-of-macromolecular-crystalsAperiodic crystals and beyondOnce a contradiction in terms, aperiodic crystals show instead that 'long-range order' has never been defined. Whatever it means, decades of intense research have shown it to be more complex and surprising than anyone suspected.
https://www.iucr.org/news/research-news/aperiodic-crystals-and-beyondFramework materials yield to pressureHigh pressure has become an indispensable research tool in the quest for novel functional materials. High-pressure crystallographic studies on non-porous framework materials based on coordination compounds are markedly on the rise, enabling the unravelling of structural phenomena and taking us a step closer to the derivation of structure-property relationships.
https://www.iucr.org/news/research-news/framework-materials-yield-to-pressureOn-demand X-rays at Synchrotron Light Sources<span style="line-height: 18.7777786254883px;">Scientists who use synchrotron light sources are welcoming an era of “on-demand” X-rays, in which they have access to the light beams they want thanks to a technique developed at the U.S. Department of Energy (DOE)’s Lawrence Berkeley National Laboratory (Berkeley Lab).</span>
https://www.iucr.org/news/research-news/on-demand-x-rays-at-synchrotron-light-sources3D structures in the design of therapeutics targeting parasitic protozoaParasitic protozoa cause a range of diseases which threaten billions of human beings. They are responsible for tremendous mortality and morbidity in the least-developed areas of the world.
https://www.iucr.org/news/research-news/3d-structures-in-the-design-of-therapeutics-targeting-parasitic-protozoaPowder to become crystal clear<span lang="EN-GB" style="font-size:11.0pt;line-height:
115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
minor-latin;mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Turning
one-dimensional diffraction from polycrystalline (powder) samples, particularly
from multiphase samples, into three-dimensional single-crystal diffraction
patterns has long been regarded as a difficult, if not impossible task, that is until now.</span>
https://www.iucr.org/news/research-news/powder-to-become-crystal-clearModulated crystal structure of St John’s wort PR-10 protein<span style="font-size:11.0pt;line-height:115%;
font-family:"Calibri","sans-serif";mso-fareast-font-family:Calibri;mso-bidi-font-family:
"Times New Roman";color:#00000A;mso-ansi-language:EN-US;mso-fareast-language:
EN-US;mso-bidi-language:AR-SA">The proteins expressed by plants under stressful
conditions (such as drought, salinity or pathogen invasion), known as
pathogenesis-related (PR) proteins, have been divided into 17 classes. The members
of most of these classes have well known biological activity</span>
https://www.iucr.org/news/research-news/modulated-crystal-structure-of-st-johns-wort-pr-10-proteinMacromolecular crystallography and what it can contribute to antiparasite drug discoveryThe May 2015 issue of <em>Acta Crystallographica Section F Structural Biology Communications</em> (<a href="http://journals.iucr.org/f">http://journals.iucr.org/f</a>) is a dedicated special issue on the structural investigation of proteins associated with molecular parasitology, specifically research linked to protozoan pathogens.
https://www.iucr.org/news/research-news/macromolecular-crystallography-and-what-it-can-contribute-to-antiparasite-drug-discoveryX-ray Free-Electron Lasers<div>
<p>A new issue from the <em>Journal of Synchrotron Radiation</em> features content on X-ray free-electron lasers. </p>
<p><br /></p>
</div>
https://www.iucr.org/news/research-news/x-ray-free-electron-lasersIntermolecular atom-atom bonds in crystals?<span style="line-height: 18.7777786254883px;">In the latest issue of IUCrJ, three essays have been published that consider the concept of interatomic bonds in crystals from different perspectives.</span>
https://www.iucr.org/news/research-news/intermolecular-atom-atom-bonds-in-crystalsCombined effort for structural determination Combining powder diffraction data with electron crystallography can give us a clearer view of modulated structures.
https://www.iucr.org/news/research-news/combined-effort-for-structural-determinationMaking carboxyl(ate) friendsWhen it comes to supramolecular chemistry, the carboxylic acid group (and its conjugate carboxylate base) is one of the chemist's most flexible friends.
https://www.iucr.org/news/research-news/making-carboxylate-friendsFluctuation X-ray scatteringIn biology, materials science and the energy sciences, structural information provides important insights into the understanding of matter. The link between a structure and its properties can suggest new avenues for designed improvements of synthetic materials or provide new fundamental insights in biology and medicine at the molecular level.
https://www.iucr.org/news/research-news/fluctuation-x-ray-scatteringThe ecstasy and the agony: compression studies of MDMAThe ecstasy and the agony: compression studies of MDMAhttps://www.iucr.org/news/research-news/the-ecstasy-and-the-agonyMicrobial soil cleanup at FukushimaEnvironmentally friendly absorbents are needed for Sr<sup>2+</sup> and Cs<sup>+</sup>, as the removal of the radioactive Sr<sup>2+</sup> and Cs<sup>+</sup> that has leaked from the Fukushima Nuclear Power Plant is one of the most important problems in Japan.
https://www.iucr.org/news/research-news/microbial-soil-cleanup-at-fukushimaSmart crystallizationThe first semi-liquid, non-protein nucleating agent for automated protein crystallization trials is described. This `smart material' is demonstrated to induce crystal growth and will provide a simple, cost-effective tool for scientists in academia and industry.
https://www.iucr.org/news/research-news/smart-crystallizationRadiation damage to macromolecules: kill or cure?<p>Radiation damage induced by X-ray beams during macromolecular diffraction experiments remains an issue of concern in structural biology. While advances in our understanding of this phenomenon undoubtedly have been and are still being made, there are still questions to be answered. </p>
https://www.iucr.org/news/research-news/radiation-damage-to-macromolecules-kill-or-cureData to knowledge: how to get meaning from your result<span style="color: rgb(0, 0, 0); font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 12px; line-height: normal;">A group of researchers present a variety of techniques and technologies aimed at the transformation of crystallographic data into information and knowledge.</span>
https://www.iucr.org/news/research-news/data-to-knowledge-how-to-get-meaning-from-your-resultThe revival of the Bravais latticeThe revival of the Bravais latticehttps://www.iucr.org/news/research-news/the-revival-of-the-bravais-latticeFluorescence-based protein crystal identificationFluorescence, whether intrinsic or by using trace fluorescent labeling, can be a powerful aid in macromolecule crystallization. Its use in screening for crystals is discussed.
https://www.iucr.org/news/research-news/fluorescence-based-protein-crystal-identificationDispersion-corrected density functional theory (DFT-D)Powder diffraction data rarely provide all the structural detail a crystallographer needs. But, if theoretical calculations in the form of dispersion-corrected density functional theory (DFT-D) can validate the data, then for structures where sufficiently large crystals are inaccessible the picture can be made clearer.
https://www.iucr.org/news/research-news/dispersion-corrected-density-functional-theory-dft-dXPAD X-ray hybrid pixel detectorThe new generation of X-ray detector, the hybrid pixel detector, is based on direct detection and single-photon counting processes. A large linearity range, high dynamic and extremely low noise leading to a high signal to noise ratio and fast readout time are just some of their many favourable characteristics.
https://www.iucr.org/news/research-news/xpad-x-ray-hybrid-pixel-detectorA second form of cytosineA group of scientists have discovered the first known second polymorph of a nucleobase.
https://www.iucr.org/news/research-news/a-second-polymorph-of-cytosine-is-discoveredThe rarely understood ammonium carbonate monohydrate<p><span lang="EN-GB" xml:lang="EN-GB">New structural studies of the superficially simple ammonium carbonate monohydrate could shed light on industrial process, biochemistry and even the interstellar building blocks of life.</span></p>
https://www.iucr.org/news/research-news/the-rarely-understood-ammonium-carbonate-monohydrateSolving difficult structures with electron diffraction<span style="color: rgb(0, 0, 0); font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 12px; line-height: normal;">Precession electron diffraction has solved a long-standing challenge in electron diffraction. Further progress promises a general technique for structure determination of difficult crystals.</span>
https://www.iucr.org/news/research-news/solving-difficult-structures-with-electron-diffractionPhotocrystallography Using the combined techniques of photocrystallography and infrared spectroscopy is a very powerful method for generating and establishing the structures of metastable linkage isomers in the solid state as exemplified by the work of Casaretto <em>et al.</em> [<a href="http://scripts.iucr.org/cgi-bin/paper?yc5003"><em>IUCrJ</em> (2015), <strong>2</strong>, 35–44</a>] on [RuCl(NO)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>]BF<sub>4</sub>.
https://www.iucr.org/news/research-news/photocrystallographySerial crystallography for the masses?<span style="color: rgb(0, 0, 0); font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 12px; line-height: normal;">Serial crystallography should be possible with a much wider range of radiation sources as Ayyer </span><span class="it" style="color: rgb(0, 0, 0); font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 12px; line-height: normal;"><em>et al.</em></span><span style="color: rgb(0, 0, 0); font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 12px; line-height: normal;"> [</span><a href="http://scripts.iucr.org/cgi-bin/paper?dc5003" style="text-decoration: none; color: rgb(153, 0, 0); font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 12px; line-height: normal;"><span class="it"><em>IUCrJ</em></span> (2015), <span class="b"><strong>2</strong></span>, 29–34</a><span style="color: rgb(0, 0, 0); font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 12px; line-height: normal;">] show that crystallographic intensities can be recovered from randomly oriented frames which are too sparse for indexing.</span>
https://www.iucr.org/news/research-news/serial-crystallography-for-the-massesSHELXT – Integrated space-group and crystal-structure determination<p><em>SHELX</em> is a system of nine programs for the solution and refinement of crystal structures against X-ray and neutron diffraction data. </p>
https://www.iucr.org/news/research-news/shelxt-integrated-space-group-and-crystal-structure-determinationMartian crystallographyA German team has crystallized five interesting water-rich hydrates of aluminium halides at very low temperatures, simulating possible environmental conditions on Mars. It is hoped that these results may help our understanding of the chemistry of the Red Planet as revealed by several space probes, and provide insights into the possibility of low-temperature aqueous pools, possibly able to sustain life.
https://www.iucr.org/news/research-news/martian-crystallographyThe first X-ray diffraction measurements on Mars<p><span>In 2012 the Mars Science Laboratory landed in the fascinating Gale crater. The Gale crater is of such great interest because of the 5.5 km high mountain of layered materials in the middle. This material tells an intricate story of the history of Mars, perhaps spanning much of the existence of this mysterious planet.</span></p>
https://www.iucr.org/news/research-news/the-first-x-ray-diffraction-measurements-on-marsUnravelling the complexity of proteins<p class="MsoNormal"></p><p>Knowledge of the three-dimensional structures of proteins is
essential for understanding biological processes. </p>
<p>Structures help to explain molecular and biochemical
functions, visualise details of macromolecular interactions, facilitate
understanding of underlying biochemical mechanisms and define biological
concepts.</p><p class="MsoNormal"><o:p></o:p></p>https://www.iucr.org/news/research-news/unravelling-the-complexity-of-proteinsCoherence comes into the foldFrom their discovery to this day, X-rays have been used for imaging. Defined broadly as techniques that permit characterization of the spatial distribution of matter, imaging encompasses fields from medical applications to X-ray microscopy and even crystallography.
https://www.iucr.org/news/research-news/coherence-comes-into-the-foldA laboratory grade hybrid pixel detector <p class="MsoNormal">For the first time a group of authors present a pixel
detector mounted on a commercial goniometer, equipped with a microfocus X-ray
source, to generate high-resolution X-ray data.<o:p></o:p></p>
https://www.iucr.org/news/research-news/a-laboratory-grade-hybrid-pixel-detector2A new generation storage ring<p>The MAX IV facility, currently under construction in Lund, Sweden, is the first of a new generation of storage-ring-based synchrotron light sources which employs new technology enabling the realisation of a new class of experiments which are critically dependent on source brightness.<span style="line-height: 1.3;"> </span></p>https://www.iucr.org/news/research-news/a-new-generation-storage-ringTowards controlled dislocationsKlie and co-workers have used atomic-resolution <em>Z</em>-contrast imaging and X-ray spectroscopy in a scanning transmission electron microscope to explore dislocations in the binary II-VI semiconductor CdTe, commercially used in thin-film photovoltaics. The results may lead to eventual improvement in the conversion efficiency of CdTe solar cells. These novel insights into atomically resolved chemical structure of dislocations have potential for understanding many more defect-based phenomena.https://www.iucr.org/news/research-news/controlled-dislocationsCrystallography in AfricaA recent paper resulting in part from the IUCr's Crystallography in Africa initiative has been published in <em>Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials</em>.
https://www.iucr.org/news/research-news/crystallography-in-africaFingerprinting haemprotein crystal structuresA group of scientists from Europe and the USA have successfully used high-resolution X-ray crystallography alongside resonance Raman Spectroscopy to “fingerprint” and validate different redox and ligand states in crystal structures of proteins.
https://www.iucr.org/news/research-news/fingerprintingChemists explore the mechanisms behind food spoilageThe research team of Annette Rompel from the Institute for Biophysical Chemistry, University of Vienna explore the mechanisms behind the "browning reaction" during the spoilage of mushrooms.
https://www.iucr.org/news/research-news/chemists-explore-the-mechanisms-behind-food-spoilageA refined approach to proteins at low resolutionCrystals of membrane proteins and protein complexes often diffract to low resolution owing to their intrinsic molecular flexibility, heterogeneity or the mosaic spread of micro-domains. At low resolution, the building and refinement of atomic models is a more challenging task. The deformable elastic network (DEN) refinement method developed previously has been instrumental in the determination of several structures at low resolution. Here, DEN refinement is reviewed. [Schröder, Levitt & Brunger. (2014), <em>Acta Cryst</em>. D<strong>70</strong>, 2241-2255; doi: <a href="http://dx.doi.org/10.1107/S1399004714016496" target="_blank">10.1107/S1399004714016496</a> ]
https://www.iucr.org/news/research-news/a-refined-approach-to-proteins-at-low-resolutionGregori Aminoff Prize 2015Professor Ian Robinson of the London Centre of Nanotechnology has been awarded the 2015 Gregori Aminoff Prize in Crystallography. Professor Robinson is also an IUCr author and currently Co-editor of the open-access journal <em>IUCrJ</em>.
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