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Cureus
October 2024
General Adult Psychiatry, Mersey Care National Health Service (NHS) Foundation Trust, Liverpool, GBR.
J Phys Chem A
August 2024
Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.
Quantum interference (QI) effects offer unique opportunities to modulate charge transport through single molecules. In recent years, several transmission selection rules have been developed to determine constructive and destructive QIs in an intuitive and simple manner, although some of these rules fail for cross-conjugated systems. In this work, we evaluate the performance of distinct transmission rules on a broad series of anthracene and fluorene derivatives with distinctive structural features including linear-, broken-, and cross-conjugation, heteroatoms, and five-membered rings as such species affords a predictive challenge for the qualitative selection rules for QI effects.
View Article and Find Full Text PDFJ Phys Condens Matter
July 2024
Key Laboratory of Automobile Materials, Ministry of Education, Department of Materials Science and Engineering, Jilin University, 130022 Changchun, People's Republic of China.
Surface-energy anisotropy of metals is crucial for the stability and structure, however, its determining factors and structure-property relationship are still elusive. Herein, we identify three key factors for predicting surface-energy anisotropy of pure metals and alloys: the surface-atom density, coordination numbers and atomic radius. We find that the coupling rules of surface geometric determinants, which determining surface-energy anisotropy of face-centred-cubic (FCC), hexagonal-close-packed (HCP) and body-centred-cubic (BCC) metals, are essentially controlled by the crystal structures instead of chemical bonds, alloying or electronic structures.
View Article and Find Full Text PDFNat Commun
June 2024
Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan, 430074, China.
Refraction is a basic beam bending effect at two media's interface. While traditional studies focus on stationary boundaries, moving boundaries or potentials could enable new laws of refractions. Meanwhile, media's discretization plays a pivotal role in refraction owing to Galilean invariance breaking principle in discrete-wave mechanics, making refraction highly moving-speed dependent.
View Article and Find Full Text PDFCureus
May 2024
Orthopaedics, Dr. D.Y. Patil Medical College, Hospital and Research Centre, Pimpri, Pune, IND.
Hip bipolar hemiarthroplasty, a widely employed surgical intervention for managing hip fractures and degenerative hip diseases, can pose significant challenges when revisions become necessary due to complications such as implant loosening, instability, or breakage. This case report presents the intricate management of a 58-year-old male who presented with worsening left hip pain a decade after undergoing hip replacement surgery. Despite a thorough preoperative assessment ruling out infection, intraoperative complexities included the necessity for extended trochanteric osteotomy (ETO) to address a broken stem and associated metallosis.
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