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Smart drug delivery: a DFT study of C fullerene and doped analogs for pyrazinamide.
Nanoscale Adv
December 2024
Department of Chemical Engineering, Sirjan University of Technology Sirjan Iran https://scholar.google.com/citations?user=N6z-rHsAAAAJ&hl=en.
The potential applicability of the C nanocage and its boron nitride-doped analogs (CBN and CBN) as pyrazinamide (PA) carriers was investigated using density functional theory. Geometry optimization and energy calculations were performed using the B3LYP functional and 6-31G(d) basis set. Besides, dispersion-corrected interaction energies were calculated at CAM (Coulomb attenuated method)-B3LYP/6-31G(d,p) and M06-2X/6-31G(d,p) levels of theory.
View Article and Find Full Text PDFAnalysis of Nutrition Knowledge After One Year of Intervention in a National Extracurricular Athletics Program: A Cross-Sectional Study with Pair-Matched Controls of Polish Adolescents.
Nutrients
December 2024
Department of Food Market and Consumer Research, Institute of Human Nutrition Sciences, Warsaw University of Life Sciences (SGGW-WULS), 159C Nowoursynowska Street, 02-776 Warsaw, Poland.
Nutrition knowledge may be translated into adequate dietary intake and proper eating habits, so adolescent education programs focusing on improving eating habits and nutrition knowledge are needed. The aim of the cross-sectional study with pair-matched controls was to assess the Consumer Nutrition Knowledge Scale (CoNKS) results and its determinants after one year of intervention in a national extracurricular athletics program within a pair-matched sample of Polish adolescents. The #goathletics Study evaluated a Polish national extracurricular athletics program, 'Athletics for all', being a voluntary and free-of-charge physical activity program organized by the Polish Athletics Association.
View Article and Find Full Text PDFBiomiX, a user-friendly bioinformatic tool for democratized analysis and integration of multiomics data.
BMC Bioinformatics
January 2025
LBAI, UMR1227, Univ Brest, Inserm, Laboratory of Immunology, CHU Brest, Brest, France.
Background: Interpreting biological system changes requires interpreting vast amounts of multi-omics data. While user-friendly tools exist for single-omics analysis, integrating multiple omics still requires bioinformatics expertise, limiting accessibility for the broader scientific community.
Results: BiomiX tackles the bottleneck in high-throughput omics data analysis, enabling efficient and integrated analysis of multiomics data obtained from two cohorts.
Publisher Correction: Uniaxial strain tuning of charge modulation and singularity in a kagome superconductor.
Nat Commun
January 2025
Physik-Institut, Universität Zürich, Zürich, Switzerland.
A fast region of interest algorithm for efficient data compression and improved peak detection in high-resolution mass spectrometry.
Anal Bioanal Chem
January 2025
Department of Plant and Environmental Science, University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark.
Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is commonly used for identification of compounds in complex samples due to the high chromatographic and mass spectral resolution provided. In subsequent data processing workflows, it is imperative to preserve this resolution to fully exploit the data. "Region of interest" (ROI) algorithms were introduced as a better alternative to equidistant binning for compressing HRMS data because they better preserve the mass spectral resolution.
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