Article
Chemistry, Multidisciplinary
Jangwoo Kim, Ki Hyun Nam
Summary: When X-rays pass through a material, heat is generated and transferred, which can affect the temperature of the sample and the experimental environment in serial crystallography experiments. This study investigated radiation damage and measured the level of heating near the X-ray interaction point. The findings provide valuable information for obtaining more accurate experimental parameters.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Physical
Khalid Mujasam Batoo, Ritesh Verma, Ankush Chauhan, Rajesh Kumar, Muhammad Hadi, Omar M. Aldossary, Y. Al-Douri
Summary: This study reported the synthesis of Gd and Nb co-doped BT ceramic oxides and investigated their structural and electrical properties. Various analysis techniques were used to characterize the samples, revealing the influence of Gd and Nb doping on the electrical properties of the ceramic materials, which were found to improve with increasing dopant concentration.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
D. V. Lazurenko, G. D. Dovzhenko, V. V. Lozanov, I. Y. Petrov, T. S. Ogneva, K. I. Emurlaev, I. A. Bataev
Summary: It has been found that the addition of transition metals Mn and Pt can retain the Ti5Al11 phase at room temperature. Through experiments and density functional theory predictions, it was discovered that the addition of Mn and Pt significantly reduces the total energy, volume, and bond length of the Ti5Al11 compound, thereby suppressing the Ti5Al11 -> TiAl transformation and preserving the lattice tetragonality, ultimately leading to the retention of the Ti5Al11 phase at room temperature.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Inorganic & Nuclear
Takanobu Hiroto, Yurika Morino, Masaki Yoshikawa, Kohei Soga, Wataru Hayami, Tadashi Ogitsu, Kaoru Kimura
Summary: beta-B is an intriguing solid with a complex crystal structure based on B-12 clusters and intrinsic structural defects. It is the only elemental semiconductor that exhibits self-compensation property during atom doping. Various physical properties of beta-B change discontinuously around 550K, possibly due to defect diffusion. We previously found a volume expansion of about 1.5% above this temperature, and it can be reversed by light irradiation at room temperature.
SOLID STATE SCIENCES
(2023)
Article
Chemistry, Physical
Pawel Peczkowski, Ryszard Zalecki, Piotr Zachariasz, Elzbieta Szostak, Jaroslaw Pietosa, Marcin Turek, Krzysztof Pyszniak, Marcin Zajac, Joanna Czub, Lukasz Gondek
Summary: We discuss changes in properties of Gd-based high-temperature superconducting tapes induced by 250 keV Ne+ ions irradiation. Ionizing radiation can introduce defects to the microstructure of tapes, leading to deterioration of the superconducting parameters. The critical current densities are reduced by 33% - 60% compared to the reference sample.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
V Poojitha, S. Mahalakshmi, K. Santhi, S. Nithyanatham
Summary: In this study, multiferroic bismuth ferrite was prepared using the sol-gel method and its structural and optical characteristics were examined. X-ray diffraction and Fourier transform infrared analysis were used to study the structure, while field emission scanning electron microscopy was used to observe the morphology. The research found that bismuth ferrite has potential importance in applications such as high dielectric constant capacitors and hard disc components.
SURFACES AND INTERFACES
(2023)
Article
Engineering, Electrical & Electronic
Mostafa Shooshtari, Alireza Salehi, Sten Vollebregt
Summary: The study found that an increase in humidity can reduce the electrical conductivity of CNT gas sensors by around 4%, but for humidity above 80%, the conductivity slightly increases. Additionally, the response of the sensors to volatile organic compounds decreases by 40% with a change in humidity up to 80%.
IEEE SENSORS JOURNAL
(2021)
Article
Engineering, Industrial
Aman Haque, John Sherbondy, Daudi Warywoba, Paul Hsu, Sukesh Roy
Summary: A new residual stress mitigation technique involving low-frequency DC current pulses is able to reduce residual stress in less than a minute near ambient temperature, as demonstrated on a welded joint of 316 L stainless steel. Experimental evidence showed significant reduction in electrical resistance, microhardness, and residual stress.
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2022)
Article
Geochemistry & Geophysics
Martin Ende, Chutimun N. Chanmuang, Peter W. Reiners, Dmitry A. Zamyatin, Sarah E. M. Gain, Richard Wirth, Lutz Nasdala
Summary: The study focused on the structural reconstitution of gem-quality zircon from Sri Lanka after dry thermal annealing, revealing that annealing at different temperatures resulted in the recovery and changes of crystalline and amorphous fractions, accompanied by variations in unit-cell volume and dimensions.
Article
Chemistry, Multidisciplinary
Shuo Feng, Rajesh Kumar Singh, Yucheng Fu, Zhuo Li, Yulong Wang, Jie Bao, Zhijie Xu, Guosheng Li, Cassidy Anderson, Lili Shi, Yuehe Lin, Peter G. Khalifah, Wei Wang, Jun Liu, Jie Xiao, Dongping Lu
Summary: In this study, a simple strategy was demonstrated for constructing low-tortuosity through-pores in both vertical and planar directions of electrodes by casting large particles into single-particle-layer electrodes. Through multi-scale characterizations and simulations, correlations between material/electrode structures, electrolyte permeability, polysulfide migration, and sulfur reactions were elucidated. The high-loading and dense sulfur cathode fabricated by this method delivers a high specific capacity at a very low electrolyte/sulfur ratio.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Physics, Applied
Lin Lin, Cheng Ji, Yanzhang Ma
Summary: This study investigates macro strain analysis in a rotational anvil apparatus and proposes three analytical methods suitable for different applications. The validity and comparison of these methods are discussed and verified through experimental data, providing a foundation for further research on pressure shear.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Crystallography
Shinobu Aoyagi, Ayumi Aoyagi, Hiroaki Takeda, Hitoshi Osawa, Kazushi Sumitani, Yasuhiko Imai, Shigeru Kimura
Summary: Lead-containing relaxor ferroelectrics exhibit significant piezoelectric capabilities due to their heterogeneous structures. Time-resolved nanobeam X-ray diffraction reveals the local lattice strain and Bragg intensity distributions under an alternating electric field, demonstrating the presence of nanodomains with different responses within the measured local area. The dynamic motion of nanodomains in the heterogeneous structure enables large piezoelectric lattice strain and fatigue-free ferroelectric polarization switching.
Article
Chemistry, Applied
Balaga Viswanadham, Dharmana Tejeswararao, Balla Putrakumar
Summary: The mesoporous SBA-15 catalyst enables the direct synthesis of nitrogen-protected tert-butoxycarbonyl (N-BOC) amines with high yields under solvent free conditions and without purification, and the catalyst can be recovered and reused.
JOURNAL OF POROUS MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Argha Dutta, Apu Sarkar, P. Mukherjee, N. Gayathri, Santu Dey, S. Neogy, Archna Sagdeo
Summary: The microstructural evolution and mechanical property changes of proton irradiated Nb-1Zr-0.1C alloy were studied as a function of irradiation dose. It was observed that dislocation density increased and saturated at the highest dose, while the hardness of the alloy increased continuously with dose. The findings suggest that alloying additions, especially carbon, play a significant role in governing the irradiation behavior of the alloy.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Chemistry, Physical
Pei Wang, Sheng-Cai Zhu, Yongtao Zou, Haiyan Chen, Ying Liu, Weiwei Li, Jian Chen, Jinlong Zhu, Liusuo Wu, Shanmin Wang, Wenge Yang, Yuming Xiao, Paul Chow, Liping Wang, Yusheng Zhao
Summary: Cooperative Jahn-Teller (JT) distortion, combined with electromagnetic lattice coupling, plays a crucial role in numerous phenomena in materials science. While JT distortion is common in high-spin 3d4 and 3d9 configurations in octahedral complexes, large distortions resulting from the degeneracy lifting of t2g orbitals have rarely been observed. In this study, we report the discovery of pressure-induced cooperative JT effect in MnTe, which is accompanied by a significant volume collapse and a collapse of magnetic moment. First-principles calculations suggest that the lifting of t2g orbital degeneracy in Mn2+(d5) due to weakened p-d hybridization and enhanced d state localization induces the cooperative JT effect and triggers electromagnetic lattice coupling. These findings present a new mechanism for cooperative JT distortion via pressure-induced ligand distortion in antiferromagnetic materials.
CHEMISTRY OF MATERIALS
(2022)
Article
Multidisciplinary Sciences
Stanislav S. Terekhov, Yuliana A. Mokrushina, Anton S. Nazarov, Alexander Zlobin, Arthur Zalevsky, Gleb Bourenkov, Andrey Golovin, Alexey Belogurov, Ilya A. Osterman, Alexandra A. Kulikova, Vladimir A. Mitkevich, Hua Jane Lou, Benjamin E. Turk, Matthias Wilmanns, Ivan Smirnov, Sidney Altman, Alexander G. Gabibov
Article
Multidisciplinary Sciences
Yuliana A. Mokrushina, Andrey Golovin, Ivan Smirnov, Spyros D. Chatziefthimiou, Anastasia Stepanova, Tatyana Bobik, Arthur O. Zalevsky, Alexander S. Zlobin, Kirill A. Konovalov, Stanislav S. Terekhov, Alexey Stepanov, Sofiya O. Pipiya, Olga G. Shamborant, Ekaterina Round, Alexey A. Belogurov, Gleb Bourenkov, Alexander A. Makarov, Matthias Wilmanns, Jia Xie, G. Michael Blackburn, Alexander G. Gabibov, Richard A. Lerner
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2020)
Article
Multidisciplinary Sciences
Azadeh Shahsavar, Peter Stohler, Gleb Bourenkov, Iwan Zimmermann, Martin Siegrist, Wolfgang Guba, Emmanuel Pinard, Steffen Sinning, Markus A. Seeger, Thomas R. Schneider, Roger J. P. Dawson, Poul Nissen
Summary: This study utilized synthetic single-domain antibodies and serial synchrotron crystallography to determine the structure of GlyT1 in complex with an inhibitor, revealing that the inhibitor locks GlyT1 in an inward-open conformation and binds at the intracellular gate of the release pathway. These findings define the mechanism of inhibition and provide insights for the rational design of new, clinically efficacious GlyT1 inhibitors.
Article
Multidisciplinary Sciences
Sebastian Guenther, Patrick Y. A. Reinke, Yaiza Fernandez-Garcia, Julia Lieske, Thomas J. Lane, Helen M. Ginn, Faisal H. M. Koua, Christiane Ehrt, Wiebke Ewert, Dominik Oberthuer, Oleksandr Yefanov, Susanne Meier, Kristina Lorenzen, Boris Krichel, Janine-Denise Kopicki, Luca Gelisio, Wolfgang Brehm, Ilona Dunkel, Brandon Seychell, Henry Gieseler, Brenna Norton-Baker, Beatriz Escudero-Perez, Martin Domaracky, Sofiane Saouane, Alexandra Tolstikova, Thomas A. White, Anna Haenle, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, Miriam Barthelmess, Frank Schluenzen, P. Lourdu Xavier, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Vasundara Srinivasan, Bruno Alves Franca, Martin Schwinzer, Hevila Brognaro, Cromarte Rogers, Diogo Melo, Joanna J. Zaitseva-Doyle, Juraj Knoska, Gisel E. Pena-Murillo, Aida Rahmani Mashhour, Vincent Hennicke, Pontus Fischer, Johanna Hakanpaa, Jan Meyer, Philip Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Andrea R. Beccari, Gleb Bourenkov, David von Stetten, Guillaume Pompidor, Isabel Bento, Saravanan Panneerselvam, Ivars Karpics, Thomas R. Schneider, Maria Marta Garcia-Alai, Stephan Niebling, Christian Guenther, Christina Schmidt, Robin Schubert, Huijong Han, Juliane Boger, Diana C. F. Monteiro, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian G. Feiler, Manfred S. Weiss, Eike-Christian Schulz, Pedram Mehrabi, Katarina Karnicar, Aleksandra Usenik, Jure Loboda, Henning Tidow, Ashwin Chari, Rolf Hilgenfeld, Charlotte Uetrecht, Russell Cox, Andrea Zaliani, Tobias Beck, Matthias Rarey, Stephan Guenther, Dusan Turk, Winfried Hinrichs, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents
Summary: The study identified 37 compounds that bind to the SARS-CoV-2 main protease through a high-throughput x-ray crystallographic screen of two repurposing drug libraries. Among these compounds, one peptidomimetic and six nonpeptidic compounds showed antiviral activity in cell-based viral reduction assays at nontoxic concentrations. The identification of two allosteric binding sites presents potential targets for drug development against SARS-CoV-2.
Article
Multidisciplinary Sciences
P. Mehrabi, R. Buecker, G. Bourenkov, H. M. Ginn, D. von Stetten, H. M. Mueller-Werkmeister, A. Kuo, T. Morizumi, B. T. Eger, W-L Ou, S. Oghbaey, A. Sarracini, J. E. Besaw, O. Pare-Labrosse, S. Meier, H. Schikora, F. Tellkamp, A. Marx, D. A. Sherrell, D. Axford, R. L. Owen, O. P. Ernst, E. F. Pai, E. C. Schulz, R. J. D. Miller
Summary: This study systematically compared crystallographic diffraction data collected by SFX and SSX methods for myoglobin and fluoroacetate dehalogenase, finding that approximately 5000 room-temperature diffraction images are sufficient for reasonable data statistics regardless of the radiation source. The data suggest that the quality of diffraction data obtained from these samples is more related to the properties of the crystals rather than the radiation source.
Article
Multidisciplinary Sciences
Jacob M. Musser, Klaske J. Schippers, Michael Nickel, Giulia Mizzon, Andrea B. Kohn, Constantin Pape, Paolo Ronchi, Nikolaos Papadopoulos, Alexander J. Tarashansky, Jorg U. Hammel, Florian Wolf, Cong Liang, Ana Hernandez-Plaza, Carlos P. Cantalapiedra, Kaia Achim, Nicole L. Schieber, Leslie Pan, Fabian Ruperti, Warren R. Francis, Sergio Vargas, Svenja Kling, Maike Renkert, Maxim Polikarpov, Gleb Bourenkov, Roberto Feuda, Imre Gaspar, Pawel Burkhardt, Bo Wang, Peer Bork, Martin Beck, Thomas R. Schneider, Anna Kreshuk, Gert Worheide, Jaime Huerta-Cepas, Yannick Schwab, Leonid L. Moroz, Detlev Arendt
Summary: Through whole-body single-cell RNA sequencing in sponges, researchers identified 18 distinct cell types, including contractile pinacocytes, amoeboid phagocytes, and secretory neuroid cells. These cells interact closely with digestive choanocytes, which express scaffolding and receptor proteins, indicating a communication system organized around sponge digestive chambers. Visualizing neuroid cells revealed secretory vesicles and cellular projections enwrapping choanocyte microvilli and cilia, suggesting the presence of conserved modules that may have evolved into synaptic structures in other animals' nervous systems.
Article
Food Science & Technology
Peter V. Dubovskii, Kira M. Dubova, Gleb Bourenkov, Vladislav G. Starkov, Anastasia G. Konshina, Roman G. Efremov, Yuri N. Utkin, Valeriya R. Samygina
Summary: This study determined the spatial structures of two cytotoxins from cobra venom and found that these toxins undergo conformational changes during interaction with lipid membranes.
Article
Biochemistry & Molecular Biology
Valentin Borshchevskiy, Kirill Kovalev, Ekaterina Round, Rouslan Efremov, Roman Astashkin, Gleb Bourenkov, Dmitry Bratanov, Taras Balandin, Igor Chizhov, Christian Baeken, Ivan Gushchin, Alexander Kuzmin, Alexey Alekseev, Andrey Rogachev, Dieter Willbold, Martin Engelhard, Ernst Bamberg, Georg Buldt, Valentin Gordeliy
Summary: High-resolution structures of bacteriorhodopsin reveal the important roles of hydrogen bond chains and low-barrier hydrogen bonds in proton transport and storage, as well as long-range communication and signaling in proteins.
NATURE STRUCTURAL & MOLECULAR BIOLOGY
(2022)
Article
Biology
Igor Melnikov, Philipp Orekhov, Maksim Rulev, Kirill Kovalev, Roman Astashkin, Dmitriy Bratanov, Yury Ryzhykau, Taras Balandin, Sergei Bukhdruker, Ivan Okhrimenko, Valentin Borshchevskiy, Gleb Bourenkov, Christoph Mueller-Dieckmann, Peter van der Linden, Philippe Carpentier, Gordon Leonard, Valentin Gordeliy, Alexander Popov
Summary: This work examines the molecular-level interactions between small hydrophobic molecules and membrane proteins (MPs), particularly focusing on noble gases and their potential role in anesthesia.
COMMUNICATIONS BIOLOGY
(2022)
Article
Multidisciplinary Sciences
Elizaveta Lyapina, Egor Marin, Anastasiia Gusach, Philipp Orekhov, Andrey Gerasimov, Aleksandra Luginina, Daniil Vakhrameev, Margarita Ergasheva, Margarita Kovaleva, Georgii Khusainov, Polina Khorn, Mikhail Shevtsov, Kirill Kovalev, Sergey Bukhdruker, Ivan Okhrimenko, Petr Popov, Hao Hu, Uwe Weierstall, Wei Liu, Yunje Cho, Ivan Gushchin, Andrey Rogachev, Gleb Bourenkov, Sehan Park, Gisu Park, Hyo Jung Hyun, Jaehyun Park, Valentin Gordeliy, Valentin Borshchevskiy, Alexey Mishin, Vadim Cherezov
Summary: This study reports the crystal structure of the S1P(5) receptor in complex with a selective inverse agonist, revealing an allosteric subpocket and shedding light on inverse agonism in S1P receptors.
NATURE COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
R. Astashkin, K. Kovalev, S. Bukhdruker, S. Vaganova, A. Kuzmin, A. Alekseev, T. Balandin, D. Zabelskii, I Gushchin, A. Royant, D. Volkov, G. Bourenkov, E. Koonin, M. Engelhard, E. Bamberg, V Gordeliy
Summary: This study presents the high-resolution structures of the SyHR protein from the cyanobacterial anion pumps family, providing insights into the molecular mechanisms of SyHR and cyanobacterial anion pumps in general.
NATURE COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Eva-Maria Krammer, Clarisse Bridot, Sonia Serna, Begona Echeverria, Shubham Semwal, Benoit Roubinet, Kim van Noort, Ruud H. P. Wilbers, Gleb Bourenkov, Jerome de Ruyck, Ludovic Landemarre, Niels Reichardt, Julie Bouckaert
Summary: The FimH type-1 fimbrial adhesin allows pathogenic Escherichia coli to adhere to glycoproteins in human bladder and intestinal tract linings. Oligomannose-3 and oligomannose-5 have the highest affinity for FimH. Our findings provide important structural insights for the design of multivalent FimH antagonists that bind with positive cooperativity.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2023)
Article
Instruments & Instrumentation
Tilman Donath, Dubravka Sisak Jung, Max Burian, Valeria Radicci, Pietro Zambon, Andrew N. Fitch, Catherine Dejoie, Bingbing Zhang, Marie Ruat, Michael Hanfland, Cameron M. Kewish, Grant A. van Riessen, Denys Naumenko, Heinz Amenitsch, Gleb Bourenkov, Gerard Bricogne, Ashwin Chari, Clemens Schulze-Briese
Summary: This paper facilitates the optimal use of EIGER2 detectors by providing theory and practical advice on their design, technical specifications, operating modes, and new acquisition features. It also presents examples of their implementation and application at several synchrotron sources, demonstrating their advantages in high-throughput data collection, X-ray diffraction, and optical experiments.
JOURNAL OF SYNCHROTRON RADIATION
(2023)
Article
Biochemistry & Molecular Biology
Kirill Kovalev, Fedor Tsybrov, Alexey Alekseev, Vitaly Shevchenko, Dmytro Soloviov, Sergey Siletsky, Gleb Bourenkov, Michael Agthe, Marina Nikolova, David von Stetten, Roman Astashkin, Sergey Bukhdruker, Igor Chizhov, Antoine Royant, Alexander Kuzmin, Ivan Gushchin, Riccardo Rosselli, Francisco Rodriguez-Valera, Nikolay Ilyinskiy, Andrey Rogachev, Valentin Borshchevskiy, Thomas R. Schneider, Ernst Bamberg, Valentin Gordeliy
Summary: By studying a bacterial inward proton-pumping rhodopsin, researchers have uncovered its molecular mechanism and revealed how proton wires mediate ion selectivity and proton transport through cell membrane. Proton transport is essential for cell life and understanding the mechanisms behind it is a challenge. The study presents a comprehensive function-structure analysis of a light-driven bacterial inward proton pump, providing insights into proton translocation and the use of synchrotron source for rhodopsin studies. The results also have implications for optogenetics.
NATURE STRUCTURAL & MOLECULAR BIOLOGY
(2023)
Article
Virology
Margarita A. Kurnaeva, Arthur O. Zalevsky, Eugene A. Arifulin, Olga M. Lisitsyna, Anna Tvorogova, Maria Y. Shubina, Gleb P. Bourenkov, Maria A. Tikhomirova, Daria M. Potashnikova, Anastasia Kachalova, Yana R. Musinova, Andrey Golovin, Yegor S. Vassetzky, Eugene Sheval
Summary: This study investigated the integration of nuclear localization signal (NLS) and nucleolar localization signal (NoLS) into the basic domain of HIV-1 Tat and found that these two supplementary functions are embedded within the amino acid sequence. Integration of NLSs and NoLSs into functional domains of viral proteins enriched with positively charged amino acids allows the concentration of different functions within small protein regions and may have influenced viral evolution by preventing an increase in protein size.
JOURNAL OF VIROLOGY
(2022)
