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Crystalline Covalent Triazine Frameworks and 2D Triazine Polymers: Synthesis and Applications.
Acc Chem Res
January 2025
School of Engineering, Westlake University, Hangzhou 310024, Zhejiang Province, China.
ConspectusCovalent triazine frameworks (CTFs) are a novel class of nitrogen-rich conjugated porous organic materials constructed by robust and functional triazine linkages, which possess unique structures and excellent physicochemical properties. They have demonstrated broad application prospects in gas/molecular adsorption and separation, catalysis, energy conversion and storage, etc. In particular, crystalline CTFs with well-defined periodic molecular network structures and regular pore channels can maximize the utilization of the features of CTFs and promote a deep understanding of the structure-property relationship.
View Article and Find Full Text PDFImplementation of Time-Averaged Restraints with UNRES Coarse-Grained Model of Polypeptide Chains.
J Chem Theory Comput
January 2025
Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland.
Time-averaged restraints from nuclear magnetic resonance (NMR) measurements have been implemented in the UNRES coarse-grained model of polypeptide chains in order to develop a tool for data-assisted modeling of the conformational ensembles of multistate proteins, intrinsically disordered proteins (IDPs) and proteins with intrinsically disordered regions (IDRs), many of which are essential in cell biology. A numerically stable variant of molecular dynamics with time-averaged restraints has been introduced, in which the total energy is conserved in sections of a trajectory in microcanonical runs, the bath temperature is maintained in canonical runs, and the time-average-restraint-force components are scaled up with the length of the memory window so that the restraints affect the simulated structures. The new approach restores the conformational ensembles used to generate ensemble-averaged distances, as demonstrated with synthetic restraints.
View Article and Find Full Text PDFDefect Migration and Phase Transformations in Two-Dimensional Iron Chloride inside Bilayer Graphene.
ACS Nano
January 2025
The Institute of Scientific and Industrial Research (ISIR-SANKEN), Osaka University, Osaka 567-0047, Japan.
The intercalation of metal chlorides, and particularly iron chlorides, into graphitic carbon structures has recently received lots of attention, as it can not only protect this two-dimensional (2D) magnetic system from the effects of the environment but also substantially alter the magnetic, electronic, and optical properties of both the intercalant and host material. At the same time, intercalation can result in the formation of structural defects or defects can appear under external stimuli, which can affect materials performance. These aspects have received so far little attention in dedicated experiments.
View Article and Find Full Text PDFSpatial distribution-based progression of spinal cord injury pathology: a key role for neuroimmune cells.
Front Immunol
January 2025
Shanghai TCM-Integrated Hospital, Shanghai University of TCM, Department of Neurosurgery, Shanghai, China.
An external trauma, illness, or other pathological cause can harm the structure and function of the spinal cord, resulting in a significant neurological disorder known as spinal cord injury (SCI). In addition to impairing movement and sensory functions, spinal cord injury (SCI) triggers complex pathophysiological responses, with the spatial dynamics of immune cells playing a key role. The inflammatory response and subsequent healing processes following SCI are profoundly influenced by the spatial distribution and movement of immune cells.
View Article and Find Full Text PDFRecognition of by the pattern recognition molecules langerin, mannan-binding lectin, and surfactant protein D: the influence of capsular polysaccharides and wall teichoic acid.
Front Immunol
January 2025
Department of Biomedicine, Aarhus University, Aarhus, Denmark.
The innate immune system plays a critical role in the rapid recognition and elimination of pathogens through pattern recognition receptors (PRRs). Among these PRRs are the C-type lectins (CTLs) langerin, mannan-binding lectin (MBL), and surfactant protein D (SP-D), which recognize carbohydrate patterns on pathogens. Each represents proteins from different compartments of the body and employs separate effector mechanisms.
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