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Heterogeneous Frustrated Lewis Pair Catalysts: Rational Structure Design and Mechanistic Elucidation Based on Intrinsic Properties of Supports.
Acc Chem Res
January 2025
The Wolfson Catalysis Centre, Department of Chemistry, University of Oxford, Oxford OX1 3QR, U.K.
ConspectusThe discovery of reversible hydrogenation using metal-free phosphoborate species in 2006 marked the official advent of frustrated Lewis pair (FLP) chemistry. This breakthrough revolutionized homogeneous catalysis approaches and paved the way for innovative catalytic strategies. The unique reactivity of FLPs is attributed to the Lewis base (LB) and Lewis acid (LA) sites either in spatial separation or in equilibrium, which actively react with molecules.
View Article and Find Full Text PDFMachine Learning Interatomic Potential for Modeling the Mechanical and Thermal Properties of Naphthyl-Based Nanotubes.
J Chem Theory Comput
January 2025
Physics Postgraduate Program, Institute of Physics, University of Brasília, 70910-900 Brasília-DF, Brazil.
Two-dimensional (2D) nanomaterials are at the forefront of potential technological advancements. Carbon-based materials have been extensively studied since synthesizing graphene, which revealed properties of great interest for novel applications across diverse scientific and technological domains. New carbon allotropes continue to be explored theoretically, with several successful synthesis processes for carbon-based materials recently achieved.
View Article and Find Full Text PDFSymmetry Breaking: Case Studies with Organic Cage-Racemates.
Acc Chem Res
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School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China.
ConspectusSymmetry is a pervasive phenomenon spanning diverse fields, from art and architecture to mathematics and science. In the scientific realms, symmetry reveals fundamental laws, while symmetry breaking─the collapse of certain symmetry─is the underlying cause of phenomena. Research on symmetry and symmetry breaking consistently provides valuable insights across disciplines, from parity violation in physics to the origin of homochirality in biology.
View Article and Find Full Text PDFTo accurately model the specific detection characteristics of spectral sensors based on linear variable filters (LVFs) within an optical design tool, it is essential to consider crucial position-variable spectral properties, such as peak transmittance, central wavelength, half width, or slope steepness. In this context, we propose a straightforward approach, integrating a dynamic link library (DLL) containing all position-dependent spectral properties of the LVF into a commercial optical design software. Exemplary investigations are conducted for an LVF with a detection range of 450-850 nm.
View Article and Find Full Text PDFExploration of the dynamics of otic capsule and intracochlear pressure: Numerical insights with experimental validation.
J Acoust Soc Am
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Department of Otorhinolaryngology, Head and Neck Surgery, University Hospital Zurich, University of Zurich, Zurich, Switzerland.
The otic capsule and surrounding temporal bone exhibit complex 3D motion influenced by frequency and location of the bone conduction stimulus. The resultant correlation with the intracochlear pressure is not sufficiently understood, thus is the focus of this study, both experimentally and numerically. Experiments were conducted on six temporal bones from three cadaver heads, with BC hearing aid stimulation applied at the mastoid and classical BAHA locations across 0.
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