Results 51 to 60 of about 2,487,426 (273)

Structural Chemistry of Halide including Thallides A8Tl11X1−n (A = K, Rb, Cs; X = Cl, Br; n = 0.1–0.9)

Crystals, 2018
A8Tl11 (A = alkali metal) compounds have been known since the investigations of Corbett et al. in 1995 and are still a matter of current discussions as the compound includes one extra electron referred to the charge of the Tl117− cluster.
Stefanie Gärtner, Susanne Tiefenthaler, Nikolaus Korber, Sabine Stempfhuber, Birgit Hischa   +4 more
doaj   +1 more source

Role of Computational Methods in Going beyond X-ray Crystallography to Explore Protein Structure and Dynamics

International Journal of Molecular Sciences, 2018
Protein structural biology came a long way since the determination of the first three-dimensional structure of myoglobin about six decades ago. Across this period, X-ray crystallography was the most important experimental method for gaining atomic ...
Ashutosh Srivastava, T. Nagai, Arpita Srivastava, O. Miyashita, F. Tama   +4 more
semanticscholar   +1 more source

High‐Temperature Phase Transformation in a V‐9Si‐6.5B Alloy: The Kinetic and Crystallographic Pathway From V5SiB2 to V8SiB4

Advanced Engineering Materials, EarlyView.
In situ synchrotron high‐energy X‐ray diffraction reveals the real‐time high‐temperature phase evolution of a ternary V‐9Si‐6.5B alloy. The study uncovers a kinetically delayed V5SiB2 → V8SiB4 transformation governed by massive structural and chemical barriers.
Zahra Sabeti, Andreas Stark, Roja Rani Korrayi, Florian Pyczak, Georg Hasemann   +4 more
wiley   +1 more source

A convolutional neural network-based screening tool for X-ray serial crystallography

Journal of Synchrotron Radiation, 2018
Deep learning provides one possible avenue to reduce the data stream generated by serial macromolecular X-ray crystallography. Convolutional neural networks can be trained to recognize the presence or absence of Bragg spots, forming a criterion to veto ...
Tsung-Wei Ke, A. Brewster, Stella X. Yu, D. Ushizima, Chao Yang, N. Sauter   +5 more
semanticscholar   +1 more source

Distinct Microstructural Characteristic Lengths Defining Notch Fatigue Crack Initiation and Propagation, and Defect Tolerance in Advanced Steels

Advanced Engineering Materials, EarlyView.
Schematic representation of modes of microcrack nucleation, growth and temporary arrestment at different boundaries, with the criteria for crack propagation in three scenarios: (1) large notch, (2) defect/small sharp notch, and (3) long crack. This work revisits and integrates results on the fatigue behavior of advanced bainitic steels (in particular ...
Lucia Morales‐Rivas
wiley   +1 more source

Rapid sample delivery for megahertz serial crystallography at X-ray FELs

IUCrJ, 2018
Sample delivery is a major challenge to performing serial crystallography experiments at upcoming high-repetition-rate X-ray free-electron lasers. The feasibility of using gas-driven liquid jets for this purpose at the FLASH facility in Hamburg has been ...
M. Wiedorn, S. Awel, Andrew J. Morgan, K. Ayyer, Y. Gevorkov, H. Fleckenstein, N. Roth, L. Adriano, R. Bean, K. Beyerlein, Joe P. J. Chen, J. Coe, F. Cruz-Mazo, T. Ekeberg, R. Graceffa, M. Heymann, D. Horke, J. Knoška, V. Mariani, Reza Nazari, Dominik Oberthür, A. Samanta, R. Sierra, C. Stan, O. Yefanov, D. Rompotis, J. Correa, B. Erk, R. Treusch, J. Schulz, B. Hogue, A. Gañán-Calvo, P. Fromme, J. Küpper, A. Rode, S. Bajt, R. Kirian, H. Chapman   +37 more
semanticscholar   +1 more source

Investigating the Effect of Inclination Angle and the Influence of Scan Parameters on the Appearance and Thermal and Mechanical Properties of Filigree Tension Rods of LPBF‐Manufactured NiTi Shape‐Memory Alloys

Advanced Engineering Materials, EarlyView.
This article investigates the dependence of the properties on the manufacturing orientation in the form of the inclination angle to the build plate of LPBF‐fabricated NiTi rods with a diameter of 150–220 µm. Metallographic, chemical, thermal, and mechanical characterization show behavior under identical manufacturing conditions that ranges from ...
Sandra Herzig, Michael Werner, Christian Rotsch   +2 more
wiley   +1 more source

X-ray Emission Spectroscopy as an In Situ Diagnostic Tool for X-ray Crystallography of Metalloproteins Using an X-ray Free Electron Laser

Biochemistry, 2018
Serial femtosecond crystallography (SFX) using the ultra-short X-ray pulses from a X-ray free-electron laser (XFEL) provides a new way of collecting structural data at room temperature that allows for following the reaction in real time after initiation.
T. Fransson, R. Chatterjee, F. Fuller, S. Gul, C. Weninger, D. Sokaras, T. Kroll, R. Alonso-Mori, U. Bergmann, J. Kern, V. Yachandra, J. Yano   +11 more
semanticscholar   +1 more source

Laser‐Induced Graphene from Waste Almond Shells

Advanced Functional Materials, EarlyView.
Almond shells, an abundant agricultural by‐product, are repurposed to create a fully bioderived almond shell/chitosan composite (ASC) degradable in soil. ASC is converted into laser‐induced graphene (LIG) by laser scribing and proposed as a substrate for transient electronics.
Yulia Steksova, Anna Chiara Bressi, Marina Galliani, Attilio Marino, Gianni Ciofani, Eduardo Machado‐Charry, Hilda Gomez Bernal, Alessandra Francini, Luca Sebastiani, Francesco Greco   +9 more
wiley   +1 more source

Crystal structure of 2-(1,3-dioxoindan-2-yl)isoquinoline-1,3,4-trione

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title isoquinoline-1,3,4-trione derivative, C18H9NO5, the five-membered ring of the indane fragment adopts an envelope conformation with the nitrogen-substituted C atom being the flap. The planes of the indane benzene ring and the isoquinoline-1,3,
Raza Murad Ghalib, C. S. Chidan Kumar, Rokiah Hashim, Othman Sulaiman, Hoong-Kun Fun   +4 more
doaj   +1 more source