In the title compound, C(6)H(7)ClN(+)·BF(4) (-)·C(12)H(24)O(6), the complete cation is generated by crystallographic mirror symmetry, with two C atoms and the N and Cl atoms lying on the mirror plane. The complete crown ether is also generated by mirror symmetry, as is the anion (in which the B and two F atoms lie on the mirror plane). The -NH(3) (+) group of the cation inserts into the crown-ether ring and forms bifurcated N-H⋯(O,O) hydrogen bonds. The H atoms of the -NH(3) (+) group were modelled as disordered across the mirror plane.
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http://dx.doi.org/10.1107/S1600536812006216 | DOI Listing |
Beijing Da Xue Xue Bao Yi Xue Ban
February 2025
Center for Digital Dentistry, Peking University School and Hospital of Stomatology & National Center for Stomatology & National Clinical Research Center for Oral Diseases & National Engineering Research Center of Oral Biomaterials and Digi-tal Medical Devices & Beijing Key Laboratory of Digital Stomatology & NHC Research Center of Engineering and Technology for Computerized Dentistry, Beijing 100081, China.
Objective: To develop an original-mirror alignment associated deep learning algorithm for intelligent registration of three-dimensional maxillofacial point cloud data, by utilizing a dynamic graph-based registration network model (maxillofacial dynamic graph registration network, MDGR-Net), and to provide a valuable reference for digital design and analysis in clinical dental applications.
Methods: Four hundred clinical patients without significant deformities were recruited from Peking University School of Stomatology from October 2018 to October 2022. Through data augmentation, a total of 2 000 three-dimensional maxillofacial datasets were generated for training and testing the MDGR-Net algorithm.
J Cataract Refract Surg
January 2025
Great Lakes Eye Care, Saint Joseph, MI, USA.
Purpose: To investigate the impact of the distance from the most-anterior surface of the optic to the principal object plane (POP) and from the foremost haptic to the principal object plane (H-POP) on the intraocular lens (IOL) power calculation.
Setting: A tertiary hospital.
Design: Optical simulation and retrospective cross-sectional study.
Nat Commun
January 2025
Humboldt Centre for Nano- and Biophotonics, Institute for Light and Matter, Department of Chemistry and Biochemistry, University of Cologne, Köln, Germany.
Non-linearities in organic exciton-polariton microcavities represent an attractive platform for quantum devices. However, progress in this area hinges on the development of material platforms for high-performance polariton lasing, scalable and sustainable fabrication, and ultimately strategies for electrical pumping. Here, we show how introducing Schlieren texturing and a rough intra-cavity topography in a liquid crystalline conjugated polymer enables strong in-plane confinement of polaritons and drastic enhancement of the lasing properties.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
School of Physics and Electronics, Hunan University, Changsha 410082, China.
Two-dimensional (2D) Janus structures with the breaking of out-of-plane mirror symmetry can induce many interesting physical phenomena, and have attracted widespread attention. Herein, we propose a MoPS monolayer with mirror asymmetry, identified by first-principles structural search calculations, which demonstrates high thermodynamic and dynamic stability. Our findings reveal that Mo 4d-orbitals dominate the metallicity, significantly enhancing the density of states near the Fermi level due to Van Hove singularities (VHSs), leading to the existence of phonon-mediated superconductivity.
View Article and Find Full Text PDFNano Lett
January 2025
NanoPhotonics Centre, Cavendish Laboratory, Department of Physics, University of Cambridge, Cambridge CB3 0HE, United Kingdom.
Metal nanocrystals synthesized in achiral environments usually exhibit no chiroptical effects. However, by placing nominally achiral nanocrystals 1.3 nm above gold films, we find giant chiroptical effects, reaching anisotropy factors as high as ≈ 0.
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