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A Quantum Chemistry Insight into the Potential Role of the Singlet Oxygen-Acetone System as a Source for Production of Stable Secondary Organic Aerosols through a Multiwell Multipath Reaction.
J Phys Chem A
December 2024
Department of Chemistry, University of Zanjan, PO Box 38791-45371 Zanjan, Iran.
The high abundance of acetone ((CH)C═O), which makes it a good candidate for oxygenated molecules, and the high reactivity of oxygen atoms in the first excited state O(D) are two well-known facts in the chemistry of the atmosphere. In this research, we prove that the singlet oxygen and acetone system is capable of proceeding through multiwell multipath reactions, leading to the production of several organic aerosols. Hence, the nature of species released by the (CH)C═O + O(D) reaction to air can be clarified by profound attention to the possible routes.
View Article and Find Full Text PDFDNEA: an R package for fast and versatile data-driven network analysis of metabolomics data.
BMC Bioinformatics
December 2024
Department of Statistics, University of Florida, Gainesville, FL, 32611, USA.
Background: Metabolomics is a high-throughput technology that measures small molecule metabolites in cells, tissues or biofluids. Analysis of metabolomics data is a multi-step process that involves data processing, quality control and normalization, followed by statistical and bioinformatics analysis. The latter step often involves pathway analysis to aid biological interpretation of the data.
View Article and Find Full Text PDFHybrid bagging and boosting with SHAP based feature selection for enhanced predictive modeling in intrusion detection systems.
Sci Rep
December 2024
School of Computing, Gachon University, Seongnam-si, 13120, Republic of Korea.
The novelty and growing sophistication of cyber threats mean that high accuracy and interpretable machine learning models are needed more than ever before for Intrusion Detection and Prevention Systems. This study aims to solve this challenge by applying Explainable AI techniques, including Shapley Additive explanations feature selection, to improve model performance, robustness, and transparency. The method systematically employs different classifiers and proposes a new hybrid method called Hybrid Bagging-Boosting and Boosting on Residuals.
View Article and Find Full Text PDFMoral distress, professional value, and vocational choice among senior nursing students: A cross-sectional study.
Medicine (Baltimore)
December 2024
Department of Nursing, Nursing Convergence Research Center, College of Nursing and Health, Kongju National University, Kongju, South Korea.
During clinical placement, nursing students may experience unease and moral distress, which negatively impacts their professional values and vocational choices. However, no instrument exists to measure moral distress in nursing students. Thus, this study constructs measurement items for moral distress and explores the factors that influence the vocational choices of nursing students.
View Article and Find Full Text PDFfunBIalign: a hierachical algorithm for functional motif discovery based on mean squared residue scores.
Stat Comput
December 2024
Department of Statistics, Penn State University, Joab L. Thomas Building, University Park, 16802 PA USA.
Unlabelled: Motif discovery is gaining increasing attention in the domain of functional data analysis. Functional motifs are typical "shapes" or "patterns" that recur multiple times in different portions of a single curve and/or in misaligned portions of multiple curves. In this paper, we define functional motifs using an additive model and we propose for their discovery and evaluation.
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