Development of a Finite Element Model for the HAZ Temperature Field in Longitudinal Welding of Pipeline Steel by Zhixing Wang, Chengjia Shang, Xuelin Wang

“…Its development involved the innovative integration of microstructural crystallography information with a multi-scale calibration and validation methodology. …”
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Structural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease by Vincent N. Azzolino, Ala M. Shaqra, Akbar Ali, Nese Kurt Yilmaz, Celia A. Schiffer

“…Here, we characterize a series of 3C inhibitors against EV68-3C protease through enzyme inhibition, protein crystallography, and structural analysis. We have determined and analyzed three high-resolution inhibitor-bound crystal structures of EV68-3C protease, which revealed possible sites of resistance mutations, a key structural water molecule conserved during ligand binding, and the conformational flexibility of the catalytic histidine H40. …”
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Crystallographic defects induced F-Center and optical enhancements in CeO2-TiO2 nanocomposites by Samor Boonphan, Suriyong Prachakiew, Chaiyuth Nontakoat, Yanee Keereeta, Chatdanai Boonruang, Arrak Klinbumrung

“…This study reports the synthesis and characterization of CeO2-TiO2 nanocomposites, focusing on the crystallography and defects in enhancing optical properties. …”
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Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline) by Daniil E. Smirnov, Oleg S. Morozov, Ekaterina S. Afanasyeva, Viktor V. Avdeev

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Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-2-[2-(propan-2-ylidene)hydrazin-1-yl]-4,5-dihydro-1H-imidazol-4-one N,N-dimethylformamide hemisolvate by Abderrazzak El Moutaouakil Ala Allah, Benson M. Kariuki, Walid Guerrab, Abdulsalam Alsubari, Musa A. Said, Joel T. Mague, Youssef Ramli

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Benchmarking protein language models for protein crystallization by Raghvendra Mall, Rahul Kaushik, Zachary A. Martinez, Matt W. Thomson, Filippo Castiglione

“…Abstract The problem of protein structure determination is usually solved by X-ray crystallography. Several in silico deep learning methods have been developed to overcome the high attrition rate, cost of experiments and extensive trial-and-error settings, for predicting the crystallization propensities of proteins based on their sequences. …”
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Observation of Body‐Centered‐Cubic Cu Nanocluster with Partial Cu(0) Character by Pu Gao, Jing Du, Weijie Hong, Mingzai Wu, Yan Feng, Yanjun Ding, Manzhou Zhu

“…Herein, a Cu(0)‐containing Cu NC is first reported to contain a metallic framework of 23 Cu atoms with a body‐centered‐cubic Cu@Cu8 core, stabilized by 6 triphenylphosphine (TPP) and 18 4‐methylbenzenethiolate ligands, as determined by single‐crystal X‐ray crystallography. The observed structure stands in stark contrast to the FCC and other structures reported for Cu NCs. …”
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Lagorio’s Wall in the Crimea: pages of scientific activity of the geologist Oleksandr Lagorio by Dmytro Mikhalenok

“…In the latter, a wide profiled scientific school of the scientist was formed, including synthetic geology (experimental mineralogy and petrography)—the most well-known representative of which was the Polish scientist Józef Morozewicz, crystallography (Georg Wulff), and applied and theoretical geology (Dmitro M. …”
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Substituted 4-Acyl-5-methyl-2-phenyl-pyrazol-3-one-phenylhydrazones with Antioxidant Properties: X-Ray Crystal and Spectroscopic Studies by Omoruyi G. Idemudia, Anthony I. Okoh, Alexander P. Sadimenko, Eric C. Hosten, Omobola O. Okoh

“…The keto imine tautomers of 4-ethyl-5-methyl-2-phenyl-pyrazol-3-one-phenylhydrazone (Empp-Ph) and 4-propyl-5-methyl-2-phenyl-pyrazol-3-one-phenylhydrazone (Prmpp-Ph) according to single X-ray crystallography data which precipitated in good yield are reported. …”
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Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG1 antibody by Jing Dai, Saeed Izadi, Jonathan Zarzar, Patrick Wu, Angela Oh, Paul J. Carter

“…Here, we combined X-ray crystallography with computational modeling to predict regions of an anti-glucagon receptor (GCGR) IgG1 antibody prone to self-interaction. …”
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Complexed Crystal Structure of Saccharomyces cerevisiae Dihydroorotase with Inhibitor 5-Fluoroorotate Reveals a New Binding Mode by Hong-Hsiang Guan, Yen-Hua Huang, En-Shyh Lin, Chun-Jung Chen, Cheng-Yang Huang

“…Based on these lines of molecular evidence, we discussed whether these different binding modes are species- or crystallography-dependent.…”
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Carbonyl-nitrogen multi-resonance emitters for efficient OLEDs with high color purity by Zhiwei Wu, Peng Zou, Jingwen Xu, Xiaobin Dong, Ben Zhong Tang, Zujin Zhao

“…In this work, we wish to report a new carbonyl-nitrogen (C = O/N) skeleton of 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (QA), and three tailored C = O/N MR molecules are synthesized and fully characterized by crystallography, thermal measurement, cyclic voltammetry, steady-state and transient spectroscopy and theoretical calculation. …”
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Exploring the Gating Mechanism of the Human Copper Transporter, hCtr1, Using EPR Spectroscopy by Shahaf Peleg, Shelly Meron, Yulia Shenberger, Lukas Hofmann, Lada Gevorkyan-Airapetov, Sharon Ruthstein

“…While structural details of the transmembrane domain of human Ctr1 have been elucidated using X-ray crystallography and cryo-EM, the transfer mechanisms of copper and the conformational changes that control the gating mechanism remain poorly understood. …”
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Synthesis, Characterization, and Crystal Structures of Bis-Imidazolium Salts and Respective Dinuclear Ag(I) N-Heterocyclic Carbene Complexes: In Vitro Anticancer Studies against “H... by Rosenani A. Haque, Siti Fatimah Nasri, Muhammad Adnan Iqbal, Sawsan S. Al-Rawi, Seyedeh Fatemeh Jafari, Mohamed B. Khadeer Ahamed, A. M. S. Abdul Majid

“…This paper describes synthesis, characterization (NMR, FT-IR, microanalysis, and X-ray crystallography), in vitro anticancer activity of ortho/para-xylyl linked bis-imidazolium salts (4-5) and respective dinuclear Ag(I) N-heterocyclic carbene (NHC) complexes (6-7). …”
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Crystal structures of three salts of the triphenylsulfonium ion by Rylan Artis, Waylan Callaway, Elizabeth Heyward, Naomi Reyes, Gavin Roberts, Kaitlyn Van Ostenbridge, Clifford W. Padgett, Will E. Lynch

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Synthesis of Amino Acid Schiff Base Nickel (II) Complexes as Potential Anticancer Drugs In Vitro by Yang Li, Jianfang Dong, Peiran Zhao, Ping Hu, Dawei Yang, Lei Gao, Lianzhi Li

“…Details of structural study of these complexes using single-crystal X-ray crystallography showed that distorted octahedral environment around nickel (II) ion has been satisfied by three nitrogen atoms and three oxygen atoms. …”
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REVIEW ON PROTEIN FOOTPRINTING AS A TOOL IN STRUCTURAL BIOLOGY by Oluwatosin Ogundairo, Oluwatoyin Ayo-Farai, Chinedu Paschal Maduka, Chiamaka Chinaemelum Okongwu, Abdulraheem Olaide Babarinde, Olamide Sodamade

“…Furthermore, the integration of protein footprinting with other structural biology techniques, such as X-ray crystallography, NMR spectroscopy, and cryo-electron microscopy, is explored to showcase the complementary nature of these approaches in achieving a comprehensive understanding of protein structure and function. …”
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Mechanism of sensor kinase CitA transmembrane signaling by Xizhou Cecily Zhang, Kai Xue, Michele Salvi, Benjamin Schomburg, Jonas Mehrens, Karin Giller, Marius Stopp, Siegfried Weisenburger, Daniel Böning, Vahid Sandoghdar, Gottfried Unden, Stefan Becker, Loren B. Andreas, Christian Griesinger

“…Here, we used solid-state NMR in conjunction with crystallography, solution NMR and distance measurements to investigate the transmembrane signaling mechanism of a paradigmatic citrate sensing membrane embedded HK, CitA. …”
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Characterization of the bispecific VHH antibody tarperprumig (ALXN1820) specific for properdin and designed for low-volume administration by Paul Tamburini, Dennis Vestergaard Pedersen, Denise Devore, Josh Cone, Rekha Patel, Todd Hunter, Fang Sun, Gregers Rom Andersen, Jeffrey Hunter

“…Tarperprumig potently and dose-dependently inhibits to completion in vitro AP-dependent complement C5b-9 formation, AP-dependent hemolysis, and the AP deposition of C3, FP and C9. X-ray crystallography revealed that the isolated FP-binding VHH recognizes the thrombospondin repeat 5 domain of FP, thereby preventing FP from binding to the AP convertase owing to severe steric hindrance. …”
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Syntheses and crystal structures of the cerium-based coordination polymers poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)]... by Niklas Ruser, Christian Näther, Norbert Stock

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