Academic literature on the topic 'Serial crystallographie'

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Journal articles on the topic "Serial crystallographie"

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Nam, Ki-Hyun. "Approach of Serial Crystallography II." Crystals 11, no. 6 (2021): 655. http://dx.doi.org/10.3390/cryst11060655.

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Serial crystallography (SX) is an emerging X-ray crystallographic method for determining macromolecule structures. It can address concerns regarding the limitations of data collected by conventional crystallography techniques, which require cryogenic-temperature environments and allow crystals to accumulate radiation damage. Time-resolved SX studies using the pump-probe methodology provide useful information for understanding macromolecular mechanisms and structure fluctuation dynamics. This Special Issue deals with the serial crystallography approach using an X-ray free electron laser (XFEL)
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Nam, Ki. "Sample Delivery Media for Serial Crystallography." International Journal of Molecular Sciences 20, no. 5 (2019): 1094. http://dx.doi.org/10.3390/ijms20051094.

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X-ray crystallographic methods can be used to visualize macromolecules at high resolution. This provides an understanding of molecular mechanisms and an insight into drug development and rational engineering of enzymes used in the industry. Although conventional synchrotron-based X-ray crystallography remains a powerful tool for understanding molecular function, it has experimental limitations, including radiation damage, cryogenic temperature, and static structural information. Serial femtosecond crystallography (SFX) using X-ray free electron laser (XFEL) and serial millisecond crystallograp
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Gevorkov, Yaroslav, Anton Barty, Wolfgang Brehm, et al. "pinkIndexer – a universal indexer for pink-beam X-ray and electron diffraction snapshots." Acta Crystallographica Section A Foundations and Advances 76, no. 2 (2020): 121–31. http://dx.doi.org/10.1107/s2053273319015559.

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A crystallographic indexing algorithm, pinkIndexer, is presented for the analysis of snapshot diffraction patterns. It can be used in a variety of contexts including measurements made with a monochromatic radiation source, a polychromatic source or with radiation of very short wavelength. As such, the algorithm is particularly suited to automated data processing for two emerging measurement techniques for macromolecular structure determination: serial pink-beam X-ray crystallography and serial electron crystallography, which until now lacked reliable programs for analyzing many individual diff
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Wolff, Alexander M., Iris D. Young, Raymond G. Sierra, et al. "Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals." IUCrJ 7, no. 2 (2020): 306–23. http://dx.doi.org/10.1107/s205225252000072x.

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Innovative new crystallographic methods are facilitating structural studies from ever smaller crystals of biological macromolecules. In particular, serial X-ray crystallography and microcrystal electron diffraction (MicroED) have emerged as useful methods for obtaining structural information from crystals on the nanometre to micrometre scale. Despite the utility of these methods, their implementation can often be difficult, as they present many challenges that are not encountered in traditional macromolecular crystallography experiments. Here, XFEL serial crystallography experiments and MicroE
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Smith, Nathan, and Mark A. Wilson. "Understanding Cysteine Chemistry Using Conventional and Serial X-ray Protein Crystallography." Crystals 12, no. 11 (2022): 1671. http://dx.doi.org/10.3390/cryst12111671.

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Proteins that use cysteine residues for catalysis or regulation are widely distributed and intensively studied, with many biomedically important examples. Enzymes where cysteine is a catalytic nucleophile typically generate covalent catalytic intermediates whose structures are important for understanding mechanism and for designing targeted inhibitors. The formation of catalytic intermediates can change enzyme conformational dynamics, sometimes activating protein motions that are important for catalytic turnover. However, these transiently populated intermediate species have been challenging t
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Horrell, Sam, Svetlana V. Antonyuk, Robert R. Eady, S. Samar Hasnain, Michael A. Hough, and Richard W. Strange. "Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal." IUCrJ 3, no. 4 (2016): 271–81. http://dx.doi.org/10.1107/s205225251600823x.

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Relating individual protein crystal structures to an enzyme mechanism remains a major and challenging goal for structural biology. Serial crystallography using multiple crystals has recently been reported in both synchrotron-radiation and X-ray free-electron laser experiments. In this work, serial crystallography was used to obtain multiple structures serially from one crystal (MSOX) to studyin crystalloenzyme catalysis. Rapid, shutterless X-ray detector technology on a synchrotron MX beamline was exploited to perform low-dose serial crystallography on a single copper nitrite reductase crystal
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Yu, Li, Zhijun Wang, Qin Xu, et al. "An Electrospinning Sample Delivery Device for Synchrotron-Based Biomacromolecule Serial Crystallography Research." Quantum Beam Science 9, no. 2 (2025): 17. https://doi.org/10.3390/qubs9020017.

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Serial crystallography is a rapidly advancing experimental technology that has seen significant development in recent years. This technique enables the continuous delivery of a series of protein crystal samples to the X-ray beam, allowing for the collection of diffraction data from a large number of crystals at ambient temperature. Despite its advancements, serial crystallography still possesses considerable potential for further development within synchrotron radiation platforms. Currently, several challenges hinder the progress of this technology, including the preparation of numerous microc
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Mehrabi, P., R. Bücker, G. Bourenkov, et al. "Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison." Science Advances 7, no. 12 (2021): eabf1380. http://dx.doi.org/10.1126/sciadv.abf1380.

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For the two proteins myoglobin and fluoroacetate dehalogenase, we present a systematic comparison of crystallographic diffraction data collected by serial femtosecond (SFX) and serial synchrotron crystallography (SSX). To maximize comparability, we used the same batch of micron-sized crystals, the same sample delivery device, and the same data analysis software. Overall figures of merit indicate that the data of both radiation sources are of equivalent quality. For both proteins, reasonable data statistics can be obtained with approximately 5000 room-temperature diffraction images irrespective
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Coquelle, Nicolas, Aaron S. Brewster, Ulrike Kapp, et al. "Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams." Acta Crystallographica Section D Biological Crystallography 71, no. 5 (2015): 1184–96. http://dx.doi.org/10.1107/s1399004715004514.

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High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, namedNanoPeakCell, that was able to read data from a variety of
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Ren, Zhong, Cong Wang, Heewhan Shin, et al. "An automated platform for in situ serial crystallography at room temperature." IUCrJ 7, no. 6 (2020): 1009–18. http://dx.doi.org/10.1107/s2052252520011288.

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Direct observation of functional motions in protein structures is highly desirable for understanding how these nanomachineries of life operate at the molecular level. Because cryogenic temperatures are non-physiological and may prohibit or even alter protein structural dynamics, it is necessary to develop robust X-ray diffraction methods that enable routine data collection at room temperature. We recently reported a crystal-on-crystal device to facilitate in situ diffraction of protein crystals at room temperature devoid of any sample manipulation. Here an automated serial crystallography plat
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Dissertations / Theses on the topic "Serial crystallographie"

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Delaunay, Quentin. "Exploration des limites de la micro-diffraction et de la nanocristallographie in vivo par implémentation d'une approche de collecte de données en série." Electronic Thesis or Diss., Université Grenoble Alpes, 2025. http://www.theses.fr/2025GRALV001.

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Alors qu’il fallait jusqu’en 2011 utiliser des cristaux de taille submillimétrique (~50-100 µm) pour espérer résoudre une structure macromoléculaire à résolution atomique, des échantillons nanométriques peuvent désormais être utilisés. Ce changement de paradigme a été permis par l’avènement des méthodes de diffraction en série tel que la cristallographie sérielle à l’échelle de la femtoseconde (SFX) implémentée dans des XFEL, mais aussi grâce à l’exploitation de l’interaction des électrons avec la matière, permettant d’obtenir des données de diffraction utiles à partir de nanocristaux présenté
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Ginn, Helen. "Improved methods for serial femtosecond crystallography reduction." Thesis, University of Oxford, 2017. http://ora.ox.ac.uk/objects/uuid:a69f65b8-84d9-4c3a-84b9-155ded0e5dee.

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X-ray free electron lasers (XFELs) are a young technology which alleviates a number of issues, including radiation damage, which remain problematic in conventional macromolecular X-ray crystallography. As it turned out, existing methods had been optimised for synchrotron-based rotation data and coped poorly with snapshot XFEL diffraction images. In the first four results chapters, I present algorithms developed in my efforts to contribute to improved data reduction for XFEL analysis. In order of execution, these are: detector geometry refinement, indexing, initial orientation matrix refinement
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Shilova, Anastasiia. "Development of serial protein crystallography with synchrotron radiation." Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAY034/document.

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Le rayonnement synchrotron est l'un des facteurs clés du grand succès de la cristallographie macromoléculaire au cours des dernières décennies. Plus de 90% de toutes les structures de protéines de la base de données PDB a été résolu par cristallographie en utilisant des sources de rayonnement synchrotron et environ 95% d'entre elles a été déterminé à partir de cristaux congelés.Cependant, les structures déterminées par des techniques de congélation sont limitées par la nature statique des cristaux congelés. Avec le développement récent des sources de RX produites par lasers à électrons libres
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Nakane, Takanori. "Data processing pipeline for serial femtosecond crystallography at SACLA." Kyoto University, 2017. http://hdl.handle.net/2433/217997.

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Halsted, T. "Femtosecond serial crystallography of two classes of copper nitrite reductase." Thesis, University of Liverpool, 2018. http://livrepository.liverpool.ac.uk/3026895/.

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Copper-containing nitrite reductases (CuNiR) catalyse the reduction of nitrite to the gaseous product nitric oxide. The enzyme forms part of the denitrification pathway which, in some bacteria, forms part of their respiratory network where nitrogen reduction is coupled to the synthesis of adenosine triphosphate. Denitrifying bacteria, through the production of nitrous oxide, have a large greenhouse gas impact and are also opportunist pathogens often found infecting immunocompromised patients. The structure and biochemical properties of CuNiRs have been extensively studied revealing a common fu
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Gevorkov, Yaroslav [Verfasser]. "Indexing algorithms for current and upcoming challenges in serial crystallography / Yaroslav Gevorkov." Hamburg : Universitätsbibliothek der Technischen Universität Hamburg-Harburg, 2020. http://d-nb.info/121575633X/34.

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Tolstikova, Aleksandra [Verfasser], and Henry N. [Akademischer Betreuer] Chapman. "Development of diffraction analysis methods for serial crystallography / Aleksandra Tolstikova ; Betreuer: Henry N. Chapman." Hamburg : Staats- und Universitätsbibliothek Hamburg, 2020. http://d-nb.info/1211480054/34.

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Chen, Joe. "Image Reconstruction in Serial Femtosecond Nanocrystallography." Thesis, University of Canterbury. Electrical and Computer Engineering, 2015. http://hdl.handle.net/10092/10661.

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X-ray crystallography is a form of microscopy that allows the three-dimensional arrangement of atoms belonging to molecules within crystals to be determined. In this method, a crystal is illuminated with a beam of X-rays and the diffracted amplitudes resulting from the illumination are measured and computationally processed to enable the electron density of the unit molecule, or the unit cell, constituting the crystal to be calculated. The recent development of the X-ray free-electron laser (XFEL) provides new routes for determining molecular structures via its ability to generate intense but
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Gati, Cornelius [Verfasser], and Christian [Akademischer Betreuer] Betzel. "Data processing and analysis in serial crystallography at advanced X-ray sources / Cornelius Gati. Betreuer: Christian Betzel." Hamburg : Staats- und Universitätsbibliothek Hamburg, 2015. http://d-nb.info/1079002235/34.

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Gati, Cornelius Verfasser], and Christian [Akademischer Betreuer] [Betzel. "Data processing and analysis in serial crystallography at advanced X-ray sources / Cornelius Gati. Betreuer: Christian Betzel." Hamburg : Staats- und Universitätsbibliothek Hamburg, 2015. http://nbn-resolving.de/urn:nbn:de:gbv:18-76091.

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Books on the topic "Serial crystallographie"

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Janssen, Ted, Gervais Chapuis, and Marc de Boissieu. Other topics. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198824442.003.0007.

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The law of rational indices to describe crystal faces was one of the most fundamental law of crystallography and is strongly linked to the three-dimensional periodicity of solids. This chapter describes how this fundamental law has to be revised and generalized in order to include the structures of aperiodic crystals. The generalization consists in using for each face a number of integers, with the number corresponding to the rank of the structure, that is, the number of integer indices necessary to characterize each of the diffracted intensities generated by the aperiodic system. A series of
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Book chapters on the topic "Serial crystallographie"

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Kirian, Richard A., Joe P. J. Chen, and John C. H. Spence. "Phasing Serial Crystallography Data." In X-ray Free Electron Lasers. Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-030-00551-1_8.

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Helliwell, John R. "Serial Crystallography Beamlines: XFELs." In SpringerBriefs in Crystallography. Springer Nature Switzerland, 2025. https://doi.org/10.1007/978-3-031-80181-5_13.

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Helliwell, John R. "Serial Crystallography Beamlines: Synchrotron." In SpringerBriefs in Crystallography. Springer Nature Switzerland, 2025. https://doi.org/10.1007/978-3-031-80181-5_12.

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Abola, E. E., U. Weierstall, W. Liu, and V. Cherezov. "Chapter 2. Delivery of GPCR Crystals for Serial Femtosecond Crystallography." In Protein Crystallography. Royal Society of Chemistry, 2018. http://dx.doi.org/10.1039/9781788010504-00028.

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Jaeger, Kathrin, Florian Dworkowski, Przemyslaw Nogly, Christopher Milne, Meitian Wang, and Joerg Standfuss. "Serial Millisecond Crystallography of Membrane Proteins." In Advances in Experimental Medicine and Biology. Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-35072-1_10.

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Zhu, Lan, Uwe Weierstall, Vadim Cherezov, and Wei Liu. "Serial Femtosecond Crystallography of Membrane Proteins." In Advances in Experimental Medicine and Biology. Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-35072-1_11.

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Hunter, Mark S., and Petra Fromme. "Serial Femtosecond Crystallography (SFX): An Overview." In X-ray Free Electron Lasers. Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-030-00551-1_2.

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Sierra, Raymond G., Uwe Weierstall, Dominik Oberthuer, et al. "Sample Delivery Techniques for Serial Crystallography." In X-ray Free Electron Lasers. Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-030-00551-1_5.

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Diederichs, Kay, and Meitian Wang. "Serial Synchrotron X-Ray Crystallography (SSX)." In Methods in Molecular Biology. Springer New York, 2017. http://dx.doi.org/10.1007/978-1-4939-7000-1_10.

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Martiel, Isabelle, Vincent Olieric, Martin Caffrey, and Meitian Wang. "Chapter 1. Practical Approaches for In Situ X-ray Crystallography: from High-throughput Screening to Serial Data Collection." In Protein Crystallography. Royal Society of Chemistry, 2018. http://dx.doi.org/10.1039/9781788010504-00001.

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Conference papers on the topic "Serial crystallographie"

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Qidwai, M. A. Siddiq, A. B. Geltmacher, A. C. Lewis, D. J. Rowenhorst, and G. Spanos. "High-Fidelity Reconstruction and Computational Modeling of Metallic Microstructure." In ASME 2007 International Mechanical Engineering Congress and Exposition. ASMEDC, 2007. http://dx.doi.org/10.1115/imece2007-42007.

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The end-objective of this research is to identify critical microstructural features in metals that precipitate plastic flow, and therefore, cause degradation of mechanical performance at higher scales. The material focus is a titanium alloy-β21s. The three-dimensional (3D) microstructure in the mesoscale range was obtained using serial sectioning, optical microscopy, electron backscatter diffraction (EBSD) and computerized 3D reconstruction techniques. The reconstructed volumes, comprising hundreds of beta-Ti grains, provide information on morphology and crystallography. This data was used as
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Galli, Lorenzo, Peter Metcalf, and Henry N. Chapman. "Implications of the focal beam profile in serial femtosecond crystallography." In SPIE Optics + Optoelectronics, edited by Libor Juha, Saša Bajt, and Richard London. SPIE, 2015. http://dx.doi.org/10.1117/12.2182654.

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Turkot, Oleksii, Fabio Dall'Antonia, Raphaël de Wijn, et al. "Towards automated analysis of serial crystallography data at European XFEL." In X-Ray Free-Electron Lasers: Advances in Source Development and Instrumentation VI, edited by Thomas Tschentscher, Luc Patthey, Marco Zangrando, and Kai Tiedtke. SPIE, 2023. http://dx.doi.org/10.1117/12.2669569.

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Shapiro, David, R. Bruce Doak, John Spence, Dmitri Starodub, Uwe Weierstall, and Henry Chapman. "A new apparatus for serial crystallography at the Advanced Light Source." In SPIE Optics + Photonics, edited by Ulrich Bonse. SPIE, 2006. http://dx.doi.org/10.1117/12.680785.

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Basu, Saurabh, Zhiyu Wang, and Christopher Saldana. "Crystallographic Textures Produced During Sand Blasting." In ASME 2015 International Manufacturing Science and Engineering Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/msec2015-9472.

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Evolution of crystallographic textures in sand blasted surfaces is studied. Sand blasting is approximated as a series of ideal cylindrical, flat punch and wedge indents. Features of the deformation field produced during indentation with these geometries is studied using in-situ techniques. Subsequently, crystallographic textures produced during indentation with these geometries is delineated using orientation imaging microscopy and simulated using the visco plastic self consistent framework. Finally, using a novel heuristic, the crystallographic textures created during indentation are related
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Hauptman, Herbert. "The Phase Problem of X-Ray Crystallography." In Signal Recovery and Synthesis. Optica Publishing Group, 1989. http://dx.doi.org/10.1364/srs.1989.fa1.

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The electron density function ρ(r) in a crystal, a function of the position vector r, is a triply periodic function of r and may therefore be represented by means of the triple Fourier Series where V is the volume of the fundamental parallelepiped and the three components of the vector H range over all the integers.
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Kang, Heung-Sik, Inhyuk Nam, Chang-Ki Min, and Rory Ma. "Self-seeded XFEL for Science Applications." In CLEO: Science and Innovations. Optica Publishing Group, 2022. http://dx.doi.org/10.1364/cleo_si.2022.stu5n.7.

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PAL-XFEL achieved the highest spectral intensity of XFEL using the self-seeding scheme. We demonstrated that the self-seeded FEL with higher reproducibility and cleaner spectrum enables a superior multiplicity of data to the SASE FEL for the serial femtosecond crystallography. Time-resolved X-ray absorption spectroscopy using the self-seeded FEL is under study. Comments and questions should be directed to the Optica Conference Papers staff (tel: +1 202.416.6191, e-mail: cstech@optica.org).
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Leidermark, Daniel. "Evaluation of Thermomechanical Fatigue Crack Initiation in a Single-Crystal Superalloy." In ASME Turbo Expo 2015: Turbine Technical Conference and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/gt2015-42681.

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In this study the thermomechanical fatigue (TMF) crack initiation of the single-crystal nickel-base superalloy MD2 is investigated and evaluated. A series of experiments are performed of smooth specimens loaded in the nominal [001] and [011] crystal orientations, subjected to both in-phase and out-of-phase TMF loading conditions. Considering the inherent internal structure of crystallographic slip planes in single-crystals, a number of critical-plane approaches are evaluated to enable a good description of the TMF crack initiation. These are evaluated using finite element simulations and a pos
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Bilyk, V. R., A. M. Buryakov, K. A. Brekhov, et al. "Sensitivity of terahertz photoconductive antenna based on multilayer structure grown on different substrate crystallographic orientation." In 2017 IEEE MTT-S International Microwave Workshop Series on Advanced Materials and Processes for RF and THz Applications (IMWS-AMP). IEEE, 2017. http://dx.doi.org/10.1109/imws-amp.2017.8247407.

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Simonovski, I., and L. Cizelj. "The Vanishing Influence of Microstructure on Growing Short Cracks." In 17th International Conference on Nuclear Engineering. ASMEDC, 2009. http://dx.doi.org/10.1115/icone17-75662.

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Microstructural features play a prominent role in the initialization and propagation of microstructurally short cracks. These features include crystallographic orientations of grains, grain boundaries, inclusions, voids, material phases, etc. Their influence is expected to vanish both with increased distance from the crack tip as well as with increased crack length. Current engineering fracture mechanics techniques do not account for these features and can therefore only be applied to sufficiently long cracks. From the engineering point of view it is therefore quite useful to have an estimate
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Reports on the topic "Serial crystallographie"

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Leeladee, Pannee. Cooperative small-molecule activation toward sustainable catalysis. Faculty of Science, Chulalongkorn University, 2018. https://doi.org/10.58837/chula.res.2018.47.

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In this research, a series of copper complexes containing polypyridyl ligands were designed to study the influence from ligands, nuclearity, solvents and secondary coordination on reactivity toward small-molecule activation. This structure-reactivity relationship was used in investigation for oxygen reduction reactions (ORR), and applied in detection of ascorbic acid (AsH₂). Firstly, copper (II) complexes containing polypyridyl derivatives ligands (i.e., Cu(dpa), Cu(adpa) and Cu₂ (addpa)) were synthesized and fully characterized by elemental analysis, mass spectrometry and X-ray crystallograph
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