Large fullerenes such as C180 and C116 can be used as hosts for other molecules of the same family. Based on this idea, two complexes were designed, one in which C180 accepts a C60 molecule as a guest and the other in which C20 was placed inside C116. The behavior of these new assemblies was closer to that of a large endohedral complex rather than onion-like. There were marked differences between the systems. In the first system, there was minor interaction between the two cages but the association resulted in a more stable thermodynamic state. In the second system, there was strong electronic interchange between the cages, and the thermodynamic results suggest that such a combination might be useful for forming stable C20.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1007/s00894-015-2646-9 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
SIRE: Scale-invariant, rotation-equivariant estimation of artery orientations using graph neural networks.
Med Image Anal
January 2025
Department of Applied Mathematics, Technical Medical Centre, University of Twente, Drienerlolaan 5, 7522 NB Enschede, The Netherlands.
The orientation of a blood vessel as visualized in 3D medical images is an important descriptor of its geometry that can be used for centerline extraction and subsequent segmentation, labeling, and visualization. Blood vessels appear at multiple scales and levels of tortuosity, and determining the exact orientation of a vessel is a challenging problem. Recent works have used 3D convolutional neural networks (CNNs) for this purpose, but CNNs are sensitive to variations in vessel size and orientation.
View Article and Find Full Text PDFAlterations in gut-derived uremic toxins before the onset of azotemic chronic kidney disease in cats.
J Vet Intern Med
December 2024
Faculty of Veterinary Medicine, Department of Small Animals, Ghent University, Merelbeke, Belgium.
Background: Although gut-derived uremic toxins are increased in azotemic chronic kidney disease (CKD) in cats and implicated in disease progression, it remains unclear if augmented formation or retention of these toxins is associated with the development of renal azotemia.
Objectives: Assess the association between gut-derived toxins (ie, indoxyl-sulfate, p-cresyl-sulfate, and trimethylamine-N-oxide [TMAO]) and the onset of azotemic CKD in cats.
Animals: Forty-eight client-owned cats.
CT perfusion for lesion-symptom mapping in large vessel occlusion ischemic stroke.
J Neurointerv Surg
January 2025
Department of Radiology, Mayo Clinic, Rochester, Minnesota, USA.
Background: Identifying eloquent regions associated with poor outcomes based on CT perfusion (CTP) may help inform personalized decisions on selection for endovascular therapy (EVT) in patients with large vessel occlusion (LVO) ischemic stroke. This study aimed to characterize the relationship between CTP-defined hypoperfusion and National Institutes of Health Stroke Scale (NIHSS) subitem deficits.
Methods: Patients with anterior circulation LVO, baseline CTP, itemized NIHSS at presentation and 24 hours were included.
Automatic detection and characterization of maturational neurobiomarkers identified as nested oscillations in premature newborns using high-density electroencephalography.
Comput Biol Med
February 2025
Inserm (UMR1105), Groupe de Recherches sur l'Analyse Multimodale de la Fonction Cérébrale, Université de Picardie, 80054 Amiens, France. Electronic address:
Neural development leads to the evolution of electroencephalographic (EEG) characteristics during the third trimester of gestation. Theta activity in coalescence with slow waves (TA-SW) and delta brushes (DB) are key clinical neurobiomarkers in the evaluation of neurodevelopment in infants prior to full-term gestation. Both neurobiomarkers exhibit nested oscillations, a key feature of intrinsic spontaneous oscillatory activity, allowing the investigation of neural interaction development in the underlying circuits.
View Article and Find Full Text PDFAssociations of plasma arginine, homoarginine, and ADMA/SDMA levels with risk of ischemic stroke: A nested case-control study.
Nutr Metab Cardiovasc Dis
August 2024
School of Public Health, Suzhou Medical College of Soochow University, Suzhou, China; Jiangsu Key Laboratory of Preventive and Translational Medicine for Major Chronic Non-communicable Diseases, Suzhou Medical College of Soochow University, Suzhou, China; MOE Key Laboratory of Geriatric Diseases and Immunology, Suzhou Medical College of Soochow University, Suzhou, China. Electronic address:
Background And Aims: Previous studies have linked aberrant nitric oxide (NO) metabolism with vascular diseases. Although arginine, homoarginine, asymmetric dimethylarginine (ADMA), and symmetric dimethylarginine (SDMA) are involved in NO metabolic pathways, their associations with ischemic stroke (IS) remain unclear.
Methods And Results: We conducted a case-control study nested within the Prospective Follow-up Study on Cardiovascular Morbidity and Mortality in China (PFS-CMMC) (2013-2018, n = 16,457; median follow-up time: 5.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!