|The IUCr is an International Scientific Union. Its objectives are to promote international cooperation in crystallography and to contribute to all aspects of crystallography, to promote international publication of crystallographic research, to facilitate standardization of methods, units, nomenclatures and symbols, and to form a focus for the relations of crystallography to other sciences.|
The tenth Ewald Prize has been awarded to Professor A. Janner and T.W.J.M. Janssen (both from the Institute for Theoretical Physics, University of Nijmegen, The Netherlands) for the development of superspace crystallography and its application to the analysis of aperiodic crystals.
The presentation of the Ewald Prize will be made during the Montreal Congress Opening Ceremony on 5 August 2014.
For a list of papers by Professor Janner appearing in IUCr journals click here.
For a list of papers by Professor Janssen appearing in IUCr journals click here.
With a special contribution from Dr Dritan Siliqi of the Institute of Crystallography-CNR, Bari, Italy, a meeting was organized in the Polytechnic University of Tirana, Faculty of Geology and Mining, to establish a crystallographic association in Albania. The meeting included academic staff from the two main public universities in Albania (Tirana University and the Polytechnic University) who deal with techniques used in crystallography and with the didactic aspects of crystallography teaching.
Dritan Siliqi - an Italian crystallographer, but a graduate in Chemistry from the Faculty of Natural Sciences, University of Tirana, Albania - first presented the organizations of crystallography specialists in Italy (AIC), Europe (ECA) and worldwide (IUCr), and gave an overview of the crystallographic research topics in different Italian and European research centres.
Afterwards a meeting took place for the establishment of the "Organization for Promoting Crystallography in Albania" (OPAL) for crystallographers and users of crystallographic techniques.
The acronym OPAL was chosen because it is the October birthstone, coinciding with the birth of this Organization.
The first members of OPAL agreed unanimously that the creation of this Association was an immediate need within the knowledge and industrial market in Albania. OPAL will have the following goals:
Contribute to the advancement and dissemination of crystallography in Albania in accordance with the aims of the IUCr:
The first members organized themselves as follows:
|Name, Surname||Institution||Position in OPAL|
|Dr Dritan Siliqi||Institute of Crystallography, Bari, Italy||Honorary director|
|Prof. Agim Sinojmeri||Faculty of Geology and Mining, Polytechnic University, Tirana, Albania||General director|
|Prof. Ass. Enkelejda Beqiraj||Faculty of Geology and Mining, Polytechnic University, Tirana, Albania||Appointed for promotion of crystallography in universities|
|Dr Altin Mele||Faculty of Natural Sciences, University of Tirana, Albania||Appointed for foreign relations|
|Dr Arben Memo||Faculty of Natural Sciences, University of Tirana, Albania||Appointed for the planning of activities in 2014|
|Dr Arjan Korpa||Faculty of Natural Sciences, University of Tirana, Albania||Appointed for outer university market relations|
|Prof. Ass. Kledi Xhaxhiu||Faculty of Natural Sciences, University of Tirana, Albania||Appointed for crystallography curricula improvement in universities|
|Prof. Sokol Abazi||Faculty of Natural Sciences, University of Tirana, Albania||Membership promotion|
All members of OPAL committed themselves to comply as best they can with the above mentioned tasks.Polytechnic University of Albania
A Latin-American Assembly formed part of the First Latin-American Meeting on Crystallography held in Cordoba, Argentina, 29 October - 1 November 2013. At this Assembly crystallographers representing Argentina, Brazil, Mexico, Chile, Colombia, Cuba, Peru, Uruguay and Venezuela agreed to the formation of the Asociation Latinoamerican de Cristalografía (Latin-American Crystallographic Association - LACA). A Committee has been established with the aims of formalizing all aspects of LACA and preparing an application to become a Regional Associate of the IUCr. All countries in Latin America with active crystallographers will be asked to nominate a member of this Committee. Provisional officers are: President: J. Sabino (Brazil), Vice-President: D. Lamas (Argentina), Secretary: L. Bucio (Mexico).
The Royal Swedish Academy of Sciences has awarded the Nobel Prize in Chemistry for 2013 jointly to
Martin Karplus, Université de Strasbourg, Strasbourg, France, Harvard University, Cambridge, MA, USA
Michael Levitt, Stanford University School of Medicine, Stanford, CA, USA
Arieh Warshel, University of Southern California, Los Angeles, CA, USA
"for the development of multiscale models for complex chemical systems"
A selection of significant articles published by these Nobel Prize winners in IUCr Journals is given below. We congratulate the authors on their award.
E. Huler and A. Warshel (1974). Incorporation of inter- and intramolecular forces in the calculation of crystal packing and lattice vibrations. Acta Cryst. B30, 1822-1826, doi:10.1107/S0567740874005875.
H.-a. Yu, M. Karplus and W. A. Hendrickson (1985). Restraints in temperature-factor refinement for macromolecules: an evaluation by molecuar dynamics. Acta Cryst. B41, 191-201, doi:10.1107/S0108768185001926.
J. Kuriyan, A. T. Brünger, M. Karplus and W. A. Hendrickson (1989). X-ray refinement of protein structures by simulated annealing: test of the method on myohemerythrin. Acta Cryst. A45, 396-409, doi:10.1107/S0108767389000437.
A. T. Brunger, D. Das, A. M. Deacon, J. Grant, T. C. Terwilliger, R. J. Read, P. D. Adams, M. Levitt and G. F. Schröder (2012). Application of DEN refinement and automated model building to a difficult case of molecular-replacement phasing: the structure of a putative succinyl-diaminopimelate desuccinylase from Corynebacterium glutamicum. Acta Cryst. D68, 391-403, doi:10.1107/S090744491104978X .
Photo credits: (Karplus) Harvard Public Affairs & Communications, Stephanie Mitchell/Harvard Staff Photographer; (Levitt) Linda A. Cicero/Stanford News Service; (Warshel) University of Southern California.
The recent paper in Acta Crystallographica B69, 457-464, TiGePt - a study of Friedel differences by Ackerbauer et al. (2013) is a product of the Zürich School of Crystallography held in June 2011. The objective of these two-yearly schools is to teach 20 young participants, mostly PhD students, the basic notions of crystallography by a combination of lectures and practical classes in which each student solves their own crystal structure.
This study arose in a singular way. The crystal of TiGePt used for structure determination by Ackerbauer et al. (2012) (Chem. Eur. J. 18, 6272-6283) was submitted to the Zürich School of Crystallography [Linden & Bürgi (2008) Acta Cryst. A64, C30 and http://www.chem.uzh.ch/linden/zsc] by one of the 20 student-participants (S.-V. Ackerbauer) as her project study. Diffraction measurements (Mo Kα radiation) were made by the school organizers and the student had to solve and refine the project structure, once two example structures provided by the school had been completed. The intermetallic compound TiGePt is atypical in its chemical composition and symmetry compared with most crystals submitted by the other student participants. At an R value of 1.1%, the study of TiGePt was still producing furrowed brows amongst the ten highly experienced tutors and the student. The values of statistics concerning the fit of Friedel opposites looked weird. In particular, it was not entirely clear whether the space group was non-centrosymmetric or not, and in the hustle and bustle of the school, there was no time to pursue these problems further. A lively e-mail discussion was undertaken following the school and its results are presented in the paper.
The X-ray single-crystal diffraction intensities of the intermetallic compound TiGePt were analysed. These showed beyond doubt that the crystal structure is non-centrosymmetric. The analysis revolves around the resonant-scattering contribution to differences in intensity between Friedel opposites hkl and hkl. The following techniques were used: Rmerge factors on the average (A) and difference (D) of Friedel opposites; statistical estimates of the resonant-scattering contribution to Friedel opposites; plots of 2Aobs against 2Amodel and of Dobs against Dmodel; the antisymmetric D-Patterson function. Moreover it was possible to show that a non-standard atomic model was unnecessary to describe TiGePt. Two data sets were compared. That measured with Ag Kα radiation at 295 K to a resolution of 1.25 Å-1 is less conclusive for absolute-structure determination than the one measured with Mo Kα radiation at 100 K to the lower resolution of 0.93 Å-1.Hans-Beat Bürgi, Howard Flack and Anthony Linden
The launch event of the International Year of Crystallography has been announced on the iycr2014.org website. The Opening Ceremony will be held on 20-21 January 2014 at the main UNESCO Building in Place de Fontenoy, in Paris. The ceremony will occur in the prestigious setting of the Hall 1 lecture theatre, where the General Conferences of UNESCO are commonly held.
More details at www.iycr2014.org/opening-ceremony