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A comparative analysis of CNNs and LSTMs for ECG-based diagnosis of arrythmia and congestive heart failure.
Comput Methods Biomech Biomed Engin
January 2025
Centre for Research Impact & Outcome, Chitkara University Institute of Engineering and Technology, Chitkara University, Rajpura, Punjab, India.
Cardiac arrhythmias are major global health concern and their early detection is critical for diagnosis. This study comprehensively evaluates the effectiveness of CNNs and LSTMs for the classification of cardiac arrhythmias, considering three PhysioNet datasets. ECG records are segmented to accommodate around ∼10s of ECG data.
View Article and Find Full Text PDFReliable Diradical Characterization via Precise Singlet-Triplet Gap Calculations: Application to Thiele, Chichibabin, and Müller Analogous Diradicals.
J Chem Theory Comput
January 2025
Department of Chemistry and Biochemistry, The University of Arizona, Tucson, Arizona 85721-0041, United States.
Accurately calculating the diradical character () of molecular systems remains a significant challenge due to the scarcity of experimental data and the inherent multireference nature of the electronic structure. In this study, various quantum mechanical approaches, including broken symmetry density functional theory (BS-DFT), spin-flip time-dependent density functional theory (SF-TDDFT), mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT), complete active space self-consistent field (CASSCF), complete active space second-order perturbation theory (CASPT2), and multiconfigurational pair-density functional theory (MCPDFT), are employed to compute the singlet-triplet energy gaps () and values in Thiele, Chichibabin, and Müller analogous diradicals. By systematically comparing the results from these computational methods, we identify optimally tuned long-range corrected functional CAM-B3LYP in the BS-DFT framework as a most efficient method for accurately and affordably predicting both and values.
View Article and Find Full Text PDFA feature-based approach for atlas selection in automatic pelvic segmentation.
PLoS One
January 2025
Department of Radiation Physics, Zhejiang Key Laboratory of Radiation Oncology, Zhejiang Cancer Hospital, Hangzhou Institute of Medicine (HIM), Chinese Academy of Sciences, Hangzhou, Zhejiang, China.
Accurate and efficient automatic segmentation is essential for various clinical tasks such as radiotherapy treatment planning. However, atlas-based segmentation still faces challenges due to the lack of representative atlas dataset and the computational limitations of deformation algorithms. In this work, we have proposed an atlas selection procedure (subset atlas grouping approach, MAS-SAGA) which utilized both image similarity and volume features for selecting the best-fitting atlases for contour propagation.
View Article and Find Full Text PDFPotential Azo-8-hydroxyquinoline derivatives as multi-target lead candidates for Alzheimer's disease: An in-depth in silico study of monoamine oxidase and cholinesterase inhibitors.
PLoS One
January 2025
Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M'Sik, Hassan II University of Casablanca, Casablanca, Morocco.
Cognitive dysfunction in Alzheimer's disease results from a complex interplay of various pathological processes, including the dysregulation of key enzymes such as acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), and monoamine oxidase B (MAO-B). This study proposes and designs a series of novel molecules derived from 8-hydroxyquinoline (Azo-8HQ) as potential multi-target lead candidates for treating AD. An exhaustive in silico analysis was conducted, encompassing docking studies, ADMET analysis, density functional theory (DFT) studies, molecular dynamics simulations, and subsequent MM-GBSA calculations to examine the pharmacological potential of these molecules with the specific targets of interest.
View Article and Find Full Text PDFThe gonorrhoea care cascade in general practice: a descriptive study to explore gonorrhoea management utilising electronic medical records.
Sex Health
January 2025
Department of General Practice and Primary Care, Melbourne Medical School, University of Melbourne, Carlton, Vic, Australia; and Family Medicine and Primary Care, LKC Medicine, Nanyang Technological University, Singapore, Singapore.
Background Gonorrhoea notification rates in Australia have more than doubled between 2014 and 2019. We explored gonorrhoea testing patterns and management of gonorrhoea infection in general practice. Methods We analysed de-identified electronic medical record data for individuals who attended 73 Australian general practices (72 in the state of Victoria) between January 2018 and December 2020.
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