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CaML: Chemistry-informed machine learning explains mutual changes between protein conformations and calcium ions in calcium-binding proteins using structural and topological features.
Protein Sci
February 2025
Department of Physics, University of Washington, Seattle, Washington, USA.
Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression. When binding with the disordered parts of a protein, calcium ions must balance their charge states with the shape of calcium-binding proteins and their versatile pool of partners depending on the circumstances they transmit. Accurately determining the ionic charges of those ions is essential for understanding their role in such processes.
View Article and Find Full Text PDFWater-regulated viscosity-plasticity phase transitions in a peptide self-assembled muscle-like hydrogel.
Nat Commun
January 2025
Department of Chemistry, School of Science, Westlake University, Hangzhou, Zhejiang Province, China.
The self-assembly of small molecules through non-covalent interactions is an emerging and promising strategy for building dynamic, stable, and large-scale structures. One remaining challenge is making the non-covalent interactions occur in the ideal positions to generate strength comparable to that of covalent bonds. This work shows that small molecule YAWF can self-assemble into a liquid-crystal hydrogel (LCH), the mechanical properties of which could be controlled by water.
View Article and Find Full Text PDFNanoscale visualization of crack tips inside molten corium-concrete interaction debris using 3D-FIB-SEM with multiphase positional misalignment correction.
Microscopy (Oxf)
January 2025
Faculty of Engineering, Kyushu University, Fukuoka 819-0395, Japan.
Characterizing molten corium-concrete interaction (MCCI) fuel debris in Fukushima reactors is essential to develop efficient methods for its removal. To enhance the accuracy of microscopic observation and focused ion beam (FIB) microsampling of MCCI fuel debris, we developed a three-dimentional FIB scanning electron microscopy (SEM) technique with a multiphase positional misalignment (MPPM) correction method. This system automatically aligns voxel positions, corrects contrast, and removes artifacts from a series of over 500 SEM images.
View Article and Find Full Text PDFA sensitive determination of lead by hydride generation integrated with micro-sampling gas-liquid separator-FAAS after preconcentration by NiFeO nanoparticles.
Sci Rep
January 2025
Faculty of Art and Science, Department of Chemistry, Yıldız Technical University, 34220, İstanbul, Türkiye.
In the present study, dispersive solid phase extraction - hydride generation integrated with micro-sampling gas-liquid separator - flame atomic absorption spectrometry was proposed to determine lead in lake water samples taken in the Horseshoe Island, Antarctica. In scope of this study, microwave assisted NiFeO nanoparticles were synthesized, and the characterization of nanoparticles were carried out by FT-IR, XRD and SEM. All influential parameters of dispersive solid phase extraction and hydride generation were optimized to enhance signal intensity belonging to the analyte.
View Article and Find Full Text PDFOptimization of metal polymer friction pair composition for hydrogen wear reduction through thermal stabilization analysis.
Sci Rep
January 2025
Department of CSE, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal, 576104, Karnataka, India.
The composition of the metal-polymer friction pair is carefully considered for interacting with water and hydrogen, ensuring the metals electrode process potential remains below waters in a neutral medium. Simultaneously, adherence to defined chemical composition ratios for the metal-polymer materials is crucial. This analysis is conducted under conditions of thermal stabilization, characterized by a minimal temperature gradient across the rim thickness within an equivalent thermal field.
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