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http://dx.doi.org/10.1080/08037051.2019.1604065 | DOI Listing |
J Mol Model
January 2025
Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387, Krakow, Poland.
Context: The analysis of the changes in the electronic structure along intrinsic reaction coordinate (IRC) paths for model reactions: (i) ethylene + butadiene cycloaddition, (ii) prototype SN2 reaction Cl + CH3Cl, (iii) HCN/CNH isomerization assisted by water, (iv) CO + HF → C(O)HF was performed, in terms of changes in the deformation density (Δr) and the deformation of MEP (ΔMEP). The main goal was to further examine the utility of the ΔMEP as a descriptor of chemical bonding, and to compare the pictures resulting from Δr and ΔMEP. Both approaches clearly show that the main changes in the electronic structure occur in the TS region.
View Article and Find Full Text PDFAlzheimers Dement
December 2024
School of Public Health, University of Pittsburgh, Pittsburgh, PA, USA.
Background: The common APOE2/E3/E4 polymorphism, the strongest risk factor for Alzheimer's disease (AD), is determined by two-site haplotypes at codons 112 (Cys>Arg) and 158 (Arg>Cys), resulting into six genotypes. Due to strong linkage disequilibrium between the two sites, 3 of the 4 expected haplotypes (E2, E3, E4) have been observed and extensively studied in relation to AD risk. Compared to the most common haplotype of E3 (Cys112 - Arg158), E4 (Arg112 - Arg 158) and E2 (Cys112 - Cys158) haplotypes are determined by a single-point mutation at codons 112 and 158, respectively.
View Article and Find Full Text PDFAlzheimers Dement
December 2024
Department of Neurodegenerative Diseases and Geriatric Psychiatry, University of Bonn Medical Center, Bonn, Germany.
Background: The identification of cognitively unimpaired individuals at risk of short-term cognitive decline is a critical task for Alzheimer´s disease (AD) research. Cognitively normal individuals with amyloid and/or tau pathology have a high risk for short-term cognitive decline. However, not all of these individuals show clinical progression.
View Article and Find Full Text PDFCardiovasc Ther
January 2025
Department of Cardiology, Tangshan Gongren Hospital, Tangshan, Hebei Province, China.
Acute coronary syndrome (ACS) is one of the most common leading global causes of mortality, encompassing ST-segment elevation myocardial infarction (STEMI), non-ST-segment elevation myocardial infarction (NSTEMI), and unstable angina (UA). Percutaneous coronary intervention (PCI) has become a pivotal therapeutic approach for ACS, underscoring the importance of anticoagulation strategies. Among the commonly employed anticoagulants in PCI, heparin and bivalirudin take precedence, with heparin serving as the archetypal choice.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Urology, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College, Dongcheng, Beijing, 100000, China.
There are inconsistent results pertaining to risk factors for venous thromboembolism (VTE) in patients following urologic surgeries. We attempted to establish a visualization model to shed further light upon this topic. Consequently, a total of 436 patients who were tested for VTE following urologic surgeries were retrospectively enrolled.
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