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http://dx.doi.org/10.5588/ijtld.21.0520 | DOI Listing |
J Chem Theory Comput
January 2025
State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China.
Molecular docking is a crucial technique for elucidating protein-ligand interactions. Machine learning-based docking methods offer promising advantages over traditional approaches, with significant potential for further development. However, many current machine learning-based methods face challenges in ensuring the physical plausibility of generated docking poses.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
School of Materials Science and Engineering, Henan Key Laboratory of Advanced Nylon Materials and Application, Zhengzhou University, Zhengzhou 450001, China.
Piezoelectric polymer textiles offer distinct advantages in the fabrication of wearable nanogenerators (NGs). One effective strategy to enhance the output capacity of NGs is to modulate the piezoelectric performance of the textiles. This paper focuses on further improving the piezoelectric properties of nylon-11,11 textiles through post-drawing and annealing treatments.
View Article and Find Full Text PDFNat Prod Res
January 2025
Department of Bioengineering and Biotechnology, Birla Institute of Technology, Ranchi, Jharkhand, India.
Current study investigates the medicinal applications of (Palash), the state flower of Jharkhand, India, focusing on synthesising biomodified copper oxide nanoparticles (CuO-NPs) and its antifungal properties. Flavonoid content in the flower extract was quantified by aluminium chloride colorimetric analysis. CuO-NPs were synthesised via co-precipitation method and then modified with methanolic flower extract.
View Article and Find Full Text PDFItal J Pediatr
January 2025
Polistudium SRL, Milan, Italy.
Background: The PalliPed project is a nationwide, observational, cross-sectional study designed with the aim of providing a constantly updated national database for the census and monitoring of specialized pediatric palliative care (PPC) activities in Italy. This paper presents the results of the first monitoring phase of the PalliPed project, which was developed through the PalliPed 2022-2023 study, to update current knowledge on the provision of specialized PPC services in Italy.
Methods: Italian specialized PPC centers/facilities were invited to participate and asked to complete a self-reporting, ad-hoc, online survey regarding their clinical activity in 2022-2023, in the revision of the data initially collected in the first PalliPed study of 2021.
Sci Rep
January 2025
La Trobe Sport & Exercise Medicine Research Centre, School of Allied Health, Human Services and Sport, La Trobe University, Melbourne, VIC, Australia.
Few studies have explored hip morphology and cartilage composition in female athletes or the impact of asymmetric repetitive loading, such as occurs during softball pitching. The current cross-sectional study assessed bilateral bony hip morphology on computed tomography imaging in collegiate-level softball pitchers ('Pitch1', n = 25) and cross-country runners ('Run', n = 13). Magnetic resonance imaging was used to assess cartilage relaxation times in a second cohort of pitchers ('Pitch2', n = 10) and non-athletic controls ('Con', n = 4).
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