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Exploring the Capability of Mechanically Interlocked Molecules in Anion Recognition: A Computational Insight.
ACS Phys Chem Au
January 2025
Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, 88040-900 Florianópolis, SC, Brazil.
The present study elucidated the role of both hydrogen and halogen bonds, from an electronic structure perspective, in the anion recognition process by the [2]catenane () containing a moiety with hydrogen bond donors entangled with another macrocyclic halogen bond donor. Spherical and nonspherical anions have been employed. The roles of different σ-hole donors have also been considered.
View Article and Find Full Text PDFOpen Rotaxane Surgery: What Molecular Editing Can Offer to Supramolecular Chemistry?
Chempluschem
January 2025
University of Wroclaw: Uniwersytet Wroclawski, Chemistry, 14 F. Joliot-Curie 14, 50383, Wroclaw, POLAND.
The skeletal editing approach represents a paradigm shift in organic synthesis by directly targeting the molecular skeleton instead of relying on often long and complicated series of organic transformations. Recent advancements in nitrogen atom deletion reactions have enabled unprecedented late-stage, precise modifications of bioactive compounds and complex natural products, influencing a seemingly distant field such as supramolecular chemistry. In a recent contribution, the Leigh group demonstrated the extrusion of a nitrogen atom from an axle of a [2]rotaxane, extending the applicability of molecular editing to complex, mechanically interlocked architectures.
View Article and Find Full Text PDFFinite Element Analysis of Proximal Femoral Bionic Nail (PFBN), Proximal Femoral Nail Antirotation and InterTan for Treatment of Reverse Obliquity Intertrochanteric Fractures.
Orthop Surg
January 2025
Department of Trauma and Orthopeadics, Peking University People's Hospital, Beijing, People's Republic of China.
Objective: Reverse obliquity intertrochanteric fracture is an unstable type of fracture. Current guidelines recommend intramedullary fixation, but there are still complications such as screw removal, hip varus, nail withdrawal, and nail fracture. The objective of this study was to use finite element analysis to compare the biomechanical properties of the novel proximal femoral bionic nail (PFBN), proximal femoral nail antirotation (PFNA), and combined compression interlocking intramedullary nail (InterTan) in the treatment of reverse obliquity intertrochanteric fractures (AO/OTA 31-A3.
View Article and Find Full Text PDFExperimental Investigation on Macroscopic and Microscopic Mechanical Properties of Geopolymer-Stabilized Macadam.
Materials (Basel)
January 2025
School of Civil Engineering, Central South University, Changsha 410075, China.
Geopolymer, as a promising inorganic binding material, holds potential for use in constructing base layers for highway pavements. This study aims to evaluate the mechanical properties of geopolymer-stabilized macadam (GSM) at both the micro- and macro-scale by a series of tests, demonstrating that high-Ca GSM is a high-quality material for pavement base layers. The results demonstrated that GSM exhibits outstanding mechanical and fatigue properties, significantly surpassing those of cement-stabilized macadam (CSM).
View Article and Find Full Text PDFThe Effect of Alumina-Rich Spinel Exsolution on the Mechanical Property of Calcium Aluminate Cement-Bonded Corundum Castables.
Materials (Basel)
January 2025
Henan Key Laboratory of High Temperature Functional Ceramics, School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China.
This study investigates the effect of the exsolution behavior of alumina-rich spinel on the formation and distribution of CA (CaAlO) in corundum castables bonded with calcium aluminate cement. In this study, alumina-rich spinel is substituted for tabular corundum in the same proportions and grain size. The matrices after curing were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS).
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