Crystallography Mid-Year Highlights

In early September, the US celebrated Labor Day. This holiday traditionally marks the end of summer in the US. Fall is approaching quickly, with the northern hemisphere experiencing later sunrises and earlier sunsets. At Bruker, we had a fantastic summer attending numerous schools and meetings focusing on Single Crystal X-Ray Diffraction (SC-XRD).

ACA 2024, X-ray Diffraction and Electron Microscopy

Annual meetings of the American Crystallographic Association (ACA) traditionally cover chemical crystallography and structural biology. This year's meeting in Denver, Colorado, featured keynotes on topics such as metalloproteins, enzyme catalysis, and the molecular basis of eukaryotic transcription. The meeting began with a well-attended and well-received workshop on structure refinement. At the Bruker booth, the display featured the best-in-class SC-XRD system for dual wavelengths with the latest IμS DIAMOND II sources. We also highlighted our latest APEX crystallographic software, emphasizing enhanced efficiency and user-friendliness. Our Chief Technology Officer, Roger Durst, Ph.D, focused on the use of advanced STEM 4D Electron Microscopy in crystallography, highlighting its advantages over current TEM approaches. Additionally, Dr. Michael Ruf discussed innovative approaches in Electron Diffraction (ED) data processing with APEX, aiming to improve accuracy and speed in crystallographic analysis.

MOF 2024, A Landmark Event

The MOF 2024 meeting in Singapore was a landmark event, featuring groundbreaking research and discussions on Metal-Organic Frameworks (MOFs) and Covalent Organic Frameworks (COFs). Plenary lectures delved into the latest innovations and future directions in the field, sparking lively discussions and collaborations among attendees. Additionally, the conference featured numerous technical sessions, poster presentations, and workshops that covered a wide range of topics, from synthesis and characterization to applications in gas storage, catalysis, and drug delivery. Bruker’s exhibition stand was a focal point for many participants. As a silver sponsor, we showcased our analytical instruments, including X-Ray Diffraction (XRD), SC-XRD, and FT-IR and FT-NIR Spectroscopy solutions. Our lunchtime seminar offered detailed insights into the latest advances in these technologies.

Also in early September, another highlight for the MOF community took place in Poznań, Poland: a workshop with keynote lectures by prominent researchers in the field of MOFs. These lectures covered cutting-edge topics such as advanced synthesis techniques, innovative applications in gas storage and separation, and the latest developments in MOF-based catalysis. With many interactive sessions, the meeting provided participants with practical experience and opportunities for networking and collaboration.

European Crystallographic Meeting (ECM), PHOTON IV Detectors

Padua, Italy, the city which has seen Copernicus and Galileo, was the perfect place for ECM 2024, a gathering of more than 800 crystallographers from around the world. The Padua conference center was the ideal spot for launching Bruker’s brand-new PHOTON IV detectors. Higher dynamic range, faster data readout and smaller pixels are some of the key features, making this detector a real milestone in the history of SC-XRD detectors. Visitors took a look at the new detector, which was mounted on the D8 VENTURE goniometer.

Our D6 PHASER also was on display. Presented at a dedicated meeting of the European crystallographic community for the first time, visitors were impressed by the flexibility of the system and the enormous variety of experiments that can be carried out on this benchtop instrument.

A new crystal heater, automated crystal centering using the Automated Goniometer Head (AGH), and better crystals with second generation chaperones – all these features were addressed in the ECM poster session. Attendees enjoyed discussing details with the members of our application team.

A trivia quiz was included in the delegates bag for all ECM attendees. The multiple-choice quiz attracted a lot of attention, and many filled-in forms landed in the lottery box. The questions were not trivial though, since only about 50% of the submissions had all answers correct and made it into the final drawing. In the final draw, Viktorija Mikaite from University College Dublin won first prize, which was a powerful handsfree speaker facilitating video conferencing. All other quiz participants received consolation prizes, including the now-famous Bruker polar bears.

Crystallography Schools Focus on Students

SC-XRD benefits from a growing number of crystallography schools all over the world. These schools typically provide a detailed look into the theoretical background of the method, but also focus on practical aspects, such as sample selection and preparation. Bruker is a proud sponsor of many of these schools.

More than 30 students enjoyed a summer school on APEX held at our Beijing office. The workshop offered a comprehensive curriculum that covered essential topics such an introduction into single crystal diffraction experiments, the basics of X-ray Crystallography, including disorder and twinning, software applications, and an introduction to protein crystal structure. This thorough approach ensured that participants gained a well-rounded understanding of the subject matter.

Dr. Zhenyi Zhang, our Application Scientist leading the course, brought a high level of expertise and knowledge, making complex concepts accessible and engaging. Students' feedback pointed out the trainer’s ability to explain intricate details clearly and effectively, which obviously contributed significantly to the success of the workshop. The practical focus, including software applications and real-world examples, allowed attendees to apply their knowledge directly, enhancing their understanding and making the sessions more interactive and enjoyable.

The event also offered valuable networking opportunities, enabling participants to connect with the instructor and fellow attendees, fostering professional relationships and potential collaboration.

Catch up with our SC-XRD team at these 2024 upcoming conferences and webinars!

Whitworth University in Spokane, Washington, hosted its fourth annual crystallography workshop on July 17 - 20, 2024, dedicated to increasing the research and instructional capacity in the structural sciences at PUI and research-intensive institutions. The 23 participants ranged from undergrad and graduate students, to faculty, with many having little to no formal training in small-molecule single crystal X-ray diffraction. Attendees at this year’s PNW SCI explored the crystallographic process via discussions of theory (e.g., diffraction, crystal growth, crystal systems, symmetry, and space groups) and hands-on activities related to crystal growth, crystal structure solution and refinement, creating impactful figures, and generating CIF files for publication.

The PNW SCI participants were encouraged to bring their own samples and use Whitworth’s in-house diffraction facility to collect data. Ample time outside of the scheduled workshop activities was devoted to working on recrystallizations, participant datasets and structures, and practice datasets provided by the workshop. While these attendees began their workshop journey with limited experience and exposure to the crystallography process, many showed they were up to the challenge by the end. These attendees repeatedly demonstrated their ability to navigate the structure solution and refinement process, modeling basic disorder and identifying many common pitfalls experienced during crystal structure refinement operations.

One inescapable take-home message from this workshop and those in the past is that many in the science community are eager to learn and integrate crystallography into their research and instructional activities. And at times, all that is needed to increase the number of users of X-ray diffraction is a solid plan for training and opportunities to access state-of-the-art X-ray facilities. The positive responses and outcomes from Whitworth’s PNW SCI has provided considerable motivation to continue this workshop for the foreseeable future, where critical opportunities to train the next generation of scientists and provide essential support to ongoing research programs will be offered. For more information, visit the workshop’s website.

PNW SCI24 Instructors: Ilia Guzei, Michael Ruf, Trisha Russell, and Kraig Wheeler

Bruker will be sponsoring the VI Latin American Crystallographic Association (LACA) Meeting, which will be held in Montevideo, Uruguay from September 23 to 26, 2024. LACA is a relatively new scientific association representing a diverse community of structural science researchers in Latin America. Previous LACA meetings have been held in Brazil (2015), Mexico (2016), Chile (2018), Colombia (2019), and Costa Rica (2022) since its establishment in Argentina in 2013.

LACA is currently developing an engaging program for the event that will facilitate discussions on the latest advancements in structural sciences in Latin America, as well as presentations on future developments in the field. We invite you to meet with us during the meeting to discuss your scientific instrumentation needs.

Battery technology lies at the heart of a cultural transition to sustainable energy and continues to develop at a rapid pace. The quest for ever higher energy densities requires optimization of current and next gen cell designs at the microscopic and macroscopic level.

As shown in our new flyer, X-Ray Microscopy (XRM) provides a 3D internal view of precursor materials, individual battery cell components and assembled battery cells at both levels without the need for physical sectioning.

The microstructure of the cell components is key to the battery performance, e.g. the cathode particle size, shape and distribution directly affect the lithium-ion diffusion path in LIB cells. Another important parameter is the packing density, ensuring voids and cracks are minimized while still allowing sufficient penetration of the electrolyte. Both effects must be monitored during manufacturing to ensure consistent cell performance. The micron scale resolution of XRM is ideally suited for this task, allowing not only qualitative visualization, but providing quantitative metrics to actively steer the production process.

The macroscopic design and arrangement of components make the battery cell work as it interfaces the chemical energy stored in the actual energy storage materials to the world. Internal planar electrodes provide this connection in pouch, cylindrical and prismatic cell designs. The length and alignment of these electrodes, such as the anode overhang, is crucial for a proper cell performance. XRM is ideal in this sense as it allows measurement without having to disassemble the battery cell.

"The purchase of our Bruker D8 DISCOVER has significantly enhanced the capability of physicists at Royal Holloway University of London to study new materials and superconducting qubits, electronic engineers to study epitaxial, polycrystalline and amorphous thin films, and earth scientists to study phase quantification for geological specimens. Bruker sales staff and application scientists have been tremendously helpful throughout procurement, installation and commissioning. Our dedicated Sales Specialist, Christopher Smalley, was honest about instrument performance and helped us to optimize complex instrument specifications during procurement. The installation and commissioning went well and the ongoing support from the service department has been outstanding, particularly from Service Engineer, Gurusamy Paramaguru. As a frequent large-scale facility user, I rate instrument performance as exceptional, operation as user friendly, and the powerful data analysis software as easy to use for all applications. Expert application training in powder diffraction by Dennis Becker and thin films by Fernando Rinaldi has been of key importance in getting the most out of the equipment and software. In summary, I am very happy with the instrument and the experience of working with Bruker."

– Jon Goff, Royal Holloway University of London, UK

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