In the title compound, [Lu(CH)(CHO)] (), the Lu ion is coordinated by three benzyl and two tetra-hydro-furan ligands. Two of the benzyl groups are bonded in a classical η-fashion through the methyl-ene the -carbon atom of the benzyl ligand in addition to bonding through the methyl-ene C atom, resulting in a modified trigonal-bipyramidal coordination geometry about the Lu center.
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http://dx.doi.org/10.1107/S2056989017018254 | DOI Listing |
Biochemistry
January 2025
Department of Biosciences and Bioengineering, Indian Institute of Technology, Roorkee, Uttarakhand 247667, India.
SARS-CoV-2 variant recurrence has emphasized the imperative prerequisite for effective antivirals. The main protease (Mpro) of SARS-CoV-2 is crucial for viral replication, making it one of the prime and promising antiviral targets. Mpro features several druggable sites, including active sites and allosteric sites near the dimerization interface, that regulate its catalytic activity.
View Article and Find Full Text PDFActa Crystallogr A Found Adv
March 2025
Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom.
Bloch waves are often used in dynamical diffraction calculations, such as simulating electron diffraction intensities for crystal structure refinement. However, this approach relies on matrix diagonalization and is therefore computationally expensive for large unit cell crystals. Here Bloch wave theory is re-formulated using the physical optics concepts underpinning the multislice method.
View Article and Find Full Text PDFResearch (Wash D C)
September 2023
Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
Introducing and stabilizing oxygen vacancies in oxide catalysts is considered to be a promising strategy for improving catalytic activity and durability. Herein, we quantitatively create oxygen vacancies in the lattice of porous single-crystalline β-GaO monoliths by reduction treatments and stabilize them through the long-range ordering of crystal lattice to enhance catalytic activity and durability. The combination analysis of time-of-flight neutron powder diffraction and extended x-ray absorption fine structure discloses that the preferential generation of oxygen vacancy tends to occur at the site of tetrahedral coordination oxygen ions (O sites), which contributes to the formation of unsaturated Ga-O coordination in the monoclinic phase.
View Article and Find Full Text PDFRSC Adv
January 2025
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences Shanghai 201899 China.
Employing electron paramagnetic resonance (EPR) and excitation and photoluminescence (PL) spectra, changes of the local structure of Gd ions were investigated for the CaF crystals containing 0.00015, 0.17, 1.
View Article and Find Full Text PDFRSC Adv
January 2025
National and Local Joint Engineering Research Center of Advanced Packaging Material Research and Development Technology, School of Packaging and Materials Engineering, Hunan University of Technology Zhuzhou 412007 Hunan China
To further improve the performance of PA66 and expand its applications, a new strategy was proposed to introduce an alicyclic structure into PA66 chain by the copolymerization method. Initially, 3,3'-dimethyl-4,4'-diaminodicyclohexylmethane (MACM) was reacted with 1,6-adipic acid to form MACM6 salt, and then, it was copolymerized with PA66 salt to synthesize PA66/MACM6 copolymers with alicyclic structures. PA66/MACM6 copolymers exhibited good thermal stabilities, and the presence of alicyclic structure had no significant effect on their thermal stabilities.
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