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HOMAc: A Parameterization of the Harmonic Oscillator Model of Aromaticity (HOMA) That Includes Antiaromaticity.
J Org Chem
January 2025
Division of Theoretical Chemistry, IFM, Linköping University, 58183 Linköping, Sweden.
The harmonic oscillator model of aromaticity (HOMA) offers a straightforward route to quantifying aromaticity that requires no other information than the bond lengths of the conjugated ring in question. Given that such information is often readily obtainable from quantum-chemical calculations, it is pertinent to improve this parametrized model as much as possible. Here, a new version of HOMA is presented where, atypically, the corresponding parameters are derived from the actual bond lengths of both aromatic and antiaromatic (rather than nonaromatic) reference compounds, as calculated with a high-level method.
View Article and Find Full Text PDFAssociations between social determinants of health and mental health disorders among U.S. population: a cross-sectional study.
Epidemiol Psychiatr Sci
January 2025
Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC, USA.
Aims: The impact of social determinants of health (SDOH) on mental health is increasingly realized. A comprehensive study examining the associations of SDOH with mental health disorders has yet to be accomplished. This study evaluated the associations between five domains of SDOH and the SDOH summary score and mental health disorders in the United States.
View Article and Find Full Text PDFAttention incorporated network for sharing low-rank, image and k-space information during MR image reconstruction to achieve single breath-hold cardiac Cine imaging.
Comput Med Imaging Graph
December 2024
Medical Image and Data Analysis (MIDAS.lab), Department of Diagnostic and Interventional Radiology, University of Tuebingen, Tuebingen, Germany.
Cardiac Cine Magnetic Resonance Imaging (MRI) provides an accurate assessment of heart morphology and function in clinical practice. However, MRI requires long acquisition times, with recent deep learning-based methods showing great promise to accelerate imaging and enhance reconstruction quality. Existing networks exhibit some common limitations that constrain further acceleration possibilities, including single-domain learning, reliance on a single regularization term, and equal feature contribution.
View Article and Find Full Text PDFRoom Temperature Quantum Emitters in van der Waals α-MoO.
Nano Lett
January 2025
Department of Physics and Astronomy, Seoul National University, 08826 Seoul, Korea.
Quantum emitters in solid-state materials are highly promising building blocks for quantum information processing and communication science. Recently, single-photon emission from van der Waals materials has been reported in transition metal dichalcogenides and hexagonal boron nitride, exhibiting the potential to realize photonic quantum technologies in two-dimensional materials. Here, we report the generation of room temperature single-photon emission from exfoliated and thermally annealed single crystals of van der Waals α-MoO.
View Article and Find Full Text PDFImproper storage methods cause food resources to be wasted, and the development of multifunctional intelligent packaging can realize freshness monitoring and extend the shelf life. In this study, an intelligent alizarin/thymol-loaded polycaprolactone/gelatin/zein nanofibrous film was prepared and achieved the dual functions of pH-responsive and antibacterial properties. The film was fabricated using electrospun technology and characterized by SEM, FT-IR, WCA, TGA, DSC, and mechanical property tests, which had good antioxidant properties (81.
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