From Nanostructures to Microcircuits in Health and Disease

Technologies in Defining Molecular Structure and Function

Â

• Keynote Session: Biomolecular Processes
  (Gary Martin / Thomas Steitz)
• Protein Structure
  (Shyam Vyas / Irina Gutsche / Timothy Keiderling / Prasad Polavarapu)
• Protein Dynamics
  (Sonia Rodriguez / Peter Wright / Mei Hong / Dorothee Kern)
• Computational Chemistry in Structural Elucidation
  (Roy Helmy / Lyndon Emsley / Gaetano Montelione / Kendall Houk)
• Advances in Crystallography
  (Gaetano Montelione / Makoto Fujita / Ian Wilson)
• Mass Spectrometry in Biological/Biomarker Characterization
  (Sue Pan / Graham Cooks / Julia Laskin / John Engen)
• Separation Sciences
  (Wes Schafer / Bezhan Chankvetadze / Attila Felinger / Eli Grushka)
• Pharmaceutical Applications
  (Dorothee Kern / Michael Kress / Gary Martin / Mark Strohmeier)
• Microscale Structural Analysis
  (Roger Kautz / Marcel Jaspars / Aaron Lewis)

Molecular Materials: Frontiers in Functional Design

Interactions Between Organic and Inorganic Materials Across Time and Length Scales

Molecular Materials: Frontiers in Functional Design

21st Century Stereochemistry: Synthesis, Structure, Function, and Properties

We are happy to announce VI-th National Crystallographic Symposium (NCS2016) that will be held on October 05-07, 2016, Sofia, Bulgaria.

As you may have already recognized this is will be the sixth "NCS" of the series started in 2009.

We have already started the preparation of the next issue of the conference (submitted manuscripts will be published in the journal “Bulgarian Chemical Communications”, a special issues due April 2017).NCS16 papers will also be online available in full text via the present platform.  You are warmly invited to come and join us!

NCS2016 is held under the auspices of BCS and is the major event on Crystallography, crystal growth, structure analyses and related techniques in Bulgaria. The Symposium aims at the applications of different crystallographic techniques in combination with other methods in the fields of materials sciences, mineralogy, biology, environmental engineering, computational methods etc. Bringing together researchers from different areas NCS16 will provide them with a high-qualified platform for them to share their latest studies and to assist further findings and collaboration.

With passionate participants from the world, NCS2016 Â would be perfect for you to present your research and find collaboration for your future work.

Conference venue

Topics

All fields of crystallography.

Presentations:

• Plenary lectures (45 + 15 min)
• Oral presentations (12 + 3 min)
• Posters

Invited plenary lecturers

Aleksandar Višnjevac
RuÄ'er BoÅ¡ković Institute
Physical Chemistry Division
Zagreb, Croatia

Bernhard Spingler
University of Zurich,
Department of Chemistry
Zurich, Switzerland

Edward Tiekink
The University of Malaya,
Kuala Lumpur, Malaysia

Horst Borrmann
Max-Planck-Institut für Chemische Physik fester Stoffe
Dresden, Germany

Miha Pavšič
University of Ljubljana
Faculty of Chemistry and Chemical Technology
Ljubljana, Slovenia

Pascal Roussel
Université de Lille
Ecole Nationale Supérieure de Chimie de Lille
Lille, France

Conference Materials

At the beginning of the Conference every participant will receive the Book of abstracts in Serbian and English.

Language

The official language of the Conference is English.

Â

The School is intended for senior postgraduates and postdocs in all areas of crystallography (including macro- and small-molecule crystallography, powder diffraction, and small-angle scattering) who may want to become involved in software development, but lack experience in this.

The 2017 IUCr Crystallographic Computing School will take place at the Molecular Biophysics Unit at the Indian Institute of Science in Bangalore, India. It will introduce modern methods of programming crystallographic calculations in a series of lectures and in-depth tutorials by leading crystallographic software developers. Our teachers are drawn from across the crystallographic world and include experts in protein, small-molecule and powder crystallography. By working together, we aim to share what we know with the next generation of crystallographic developers.

The 7th Canadian Chemical Crystallography Workshop will be hosted by Saint Mary's University, Halifax, NS, Canada. The Workshop will be a satellite of the 99th Canadian Chemical Conference (June 5-9th, www.csc2016.ca) and is targeted towards chemistry graduate students and post docs who would benefit from an improved understanding of the basic theory and practice of structure determination using single crystal X-ray diffraction methods.

Participants will work with the free Olex2 software (on their own laptops) and solve and refine several crystal structures, including one or two from their own research. Those who do not have access to a diffractometer can arrange to collect data in advance of the workshop. Several practice data sets will be supplied.

Short demonstrations and presentations will be spread out over the five days in order for the student to appreciate some of the theory and and practice behind the process. A vague recollection of wave addition, Fourier transforms, point groups, matrices, trig and algebra will be assumed, although explanations will usually be based on 3D visualizations and demonstrations rather than equations. Examples of some simple and some more difficult refinements will be presented, as well as hints on preparing CIF's for publication.

The School will address all aspects of crystallographic analysis of structural phase transitions, including basics of thermodynamics, kinetics and atomistic mechanisms ruling the processes. These concepts will be presented along with phenomenological theories for the treatment of phase transitions, with emphasis on the application of general theory to experimental data.Â

Phase transformations occur in most types of materials, including minerals, diverse organic, inorganic and hybrid compounds, pharmaceuticals, foods, ceramics and even crystalline viruses, and have been studied in almost all branches of science. Perovskites will be the teaching tool of AICS2016, with examples spanning from mineralogical to hybrid organic-inorganic samples. Therefore, the School is mainly directed to students working in the fields of chemistry, Earth sciences, mineral physics and materials science, and is as well of interest for metal-organic chemists and molecular crystallographers.

Ambition of the School is to give the attendees a unitary view, despite the many and apparently diverse materials such phenomena occur in, and the sometimes different terminologies used in the different fields.

Confirmed speakers Mois I. Aroyo (Universidad del País Vasco, Bilbao, Spain), Tiziana Boffa Ballaran (Bayerisches Geoinstitut, Bayreuth, Germany), Michael A. Carpenter (University of Cambridge, UK), Angelo Gavezzotti (University of Milan, Italy), A. Mike Glazer (University of Oxford, UK), Lucia Maini (University of Bologna, Italy), Marcus Müller (Dectris Ltd., Switzerland), Massimo Nespolo (University of Lorraine, Nancy, France), Emanuela Schingaro (University of Bari, Italy), Serena C. Tarantino (University of Pavia, Italy), Ian D. Williams (Hong Kong University of Science and Technology, Hong Kong)

Deadlines:

Bursary request: 15 May 2016
Registration and payment: 12 June 2016Â

The conference will include invited talks and contributed poster presentations covering the following topics:Â

• High temperature thermal analysis and calorimetry
• In situ high temperature X-ray and neutron diffraction
• High temperature thermodynamic properties from mass spectrometry and other equilibrium experiments
• Radiation thermometry
• Experimental determination of phase diagrams
• First principles computations of structural and thermodynamic properties at high temperatures

The aims of the conference are to disseminate information on experimental and computational methods suitable for structural and thermodynamic studies of oxides at temperatures above 1500°C, to promote collaboration between research groups in the field, and to delineate bottleneck experimental and computational issues to focus on in future research.

Technical Workshops: October 20, 2016

• Brian Toby GSAS-II Workshop
• Netzsch Workshop
• Setaram Workshop

STOHT Conference: October 21-22, 2016

This is a Workshop of the 66th Annual Meeting of the American Crystallographic Association.

Description:

• Part A: Small Molecular and Solid State Chemistry - morning session
• Part B: Macromolecules - afternoon session

SHELX is a set of programs for the determination of small (SM) and macromolecular (MM) crystal structures by single crystal X-ray and neutron diffraction. These stand-alone executables require no libraries, extra files or environment variables. They are compatible with all modern versions of Linux, Windows and MacOSX, and are free for academic use. For-profit users are expected to pay a licence fee that covers development and support for all users.

The programs may be called from a GUI such as shelXle, Olex2, Oscail or WinGX (SM refinement) or hkl2map (MM phasing), or from a command line in a terminal window (for Windows, this is called Command Prompt and may be found in Accessories). Several of the programs output an instruction summary if called without a filename. SHELX-2015 contains the following programs:

• SHELXT - New small molecule (SM) structure solution program.
• SHELXS - Classical direct methods for SM structure solution.
• SHELXL - SM and MM refinement, more or less compatible with SHELX76 and SHELXL-97.
• CIFTAB and ShredCIF - editing and processing SM CIF files from SHELXL.
• SHELXC, SHELXD and SHELXE - MM phasing. SHELXD is also useful for SM direct methods.
• AnoDe - preparation and analysis of MM anomalous density maps.

Participants may register for one or both session. The cost of each session is $25 for students and postdocs and $50 for all others.

Contact:

George Sheldrick:Â http://shelx.uni-ac.gwdg.de/~gsheldr/

This is a Workshop of the 66th Annual Meeting of the American Crystallographic Association.

Description:

The CSD Python API workshop is ideal for researchers that have some basic familiarity with the CSD-System, but are interested in learning about more flexible and sophisticated ways to interact with CSD data and functionality; however, anyone is invited to attend.Â

Attendees will not need to be expert in programming or scripting languages, but simply be comfortable with computer systems in general. Our experienced staff will be available to assist with any questions you might have and at the end of the workshop there will be an opportunity to trouble-shoot with the instructors. The instructors will remain for the duration of the ACA conference to provide any additional help and feedback that attendees might appreciate after the workshop.

Almost all ACA attendees will already have access to the CSD Python API through their institution's CSD-System licence, but if attendees do not already have a licence, we can provide short-term workshop licences in advance. Participants will be expected to bring along their own laptops and to have already installed the CSD-System, Python and the CSD Python API on their laptop prior to the workshop.

The workshop will begin at 1:30 and end at approx. 5:00, on Friday, July 22.

Lunch will be provided from 12:30 until 1:30.

All participants must preregister for the workshop, but there is no registration fee.

Contact:

Peter Wood, CSD-System Product Manager, CCDC
[email protected]Â

Suzanna Ward, Manager - Cambridge Structural Database, CCDC
[email protected]

Erin Davis, Scientific Relations Manager, CCDC
[email protected]

 Â

Plenary speakers

• Susumu Yamamoto - Inst. for Solid State Phys. - Univ. of Tokyo (Japan)
  "Probing carriers and molecules on oxide surfaces by X-ray"
• Emmanuelle Schmitt - Polytechnique (France)
  "Structural and functional studies of the translation initiation factor e/alF2"
• Serena DeBeer - Max Planck Institute (Germany)
  "X-ray spectroscopic studies of Biological Dinitrogen Reduction"

Topics

• Biology / Health
• Chemistry and Physico-chemistry â€" in situ reactivity â€" Soft matter
• Electronic and magnetic property of matter â€" Surfaces and Interfaces
• Diluted Matter
• Matter & material properties: Structure, Organisation Characterisation, Elaboration
• Cultural heritage, archaeology, environment, geosciences

• Temporal resolution and dynamics
• Spatial resolution
• Multi beamline Measurements

A satellite workshop will be held on Tuesday 19th and Wednesday 20th of January, 2016 at SOLEIL:

HI-SPEARÂ (HIgh resolution SPEctroscopies for Applied Research)

International School and Conference on Biological Materials Science

Topics will encompass the formation mechanisms as well as the characterization of complex-shaped and hierarchically structured multifunctional materials present in living nature. Based on this, a further key topic will be the consideration of these architectures as archetypes for the generation of novel functional materials with an expanded property spectrum. We invite you to submit your contributions with regard to materials synthesis and design inspired by biological principles and structures. The conference will address Bio-inspired materials based on organic and/or inorganic phases including their mechanical, optical, electronic and magnetic properties as well as actuated systems. Further discussions will be dedicated to materials, which display their function in contact with biological systems, e.g. tissues. Moreover, theoretical modelling of the formation, structure and properties of biological and bio-inspired materials will play a main role.

Winter School of the Priority Program 1569 (SPP 1569) supported by the German Science Foundation (DFG). In addition to this satellite meeting also contributions of the SPP 1569 are included into the poster sessions of the conference.

The key objective of the SPP 1569 is to explore the principles of gene-regulated biomineralization for the production of multifunctional inorganic materials. The scientific aim is the application of biomolecules for the in vitro generation of inorganic functional materials as well as the biomineralization of these materials by living organisms in vivo. By using this route, materials with an enhanced property spectrum, which is not available via conventional processing techniques, shall be gained at ambient conditions by molecular architecture. The main objective is to generate materials with improved properties and novel property combinations by the conjunction of inorganic and organic components. Contact Juliane Kränzl [email protected]