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| http://dx.doi.org/10.21037/jtd-2023-09 | DOI Listing |
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Exploring the equilibrium and non-equilibrium properties of a cooperative trinuclear spin-crossover chain: The role of elastic frustration.
J Chem Phys
January 2025
Université Paris-Saclay, UVSQ, CNRS, GEMaC, 45 Avenue des Etats Unis, 78035 Versailles, France.
Among the large family of spin-crossover (SCO) solids, recent investigations focused on polynuclear SCO materials, whose specific molecular configurations allow the presence of multi-step transitions and elastic frustration. In this contribution, we develop the first elastic modeling of thermal and dynamical properties of trinuclear SCO solids. For that, we study a finite SCO open chain constituted of successive elastically coupled trinuclear (A=B=C) blocks, in which each site (A, B, and C) may occupy two electronic configurations, namely, low-spin (LS) and high-spin (HS) states, accompanied with structural changes.
View Article and Find Full Text PDFEvaluating the implementation of online research training and mentorship among early-career family physicians in sub-Saharan Africa.
Prim Health Care Res Dev
January 2025
Polyclinic/Family Medicine Department, Korle Bu Teaching Hospital-Accra, Ghana.
Background: Research is needed to improve the performance of primary health care. In Africa, few family physicians conduct research, and therefore an online research training and mentorship programme was developed to build research capacity amongst novice and early career researchers.
Aim: To evaluate the implementation of the AfriWon Research Collaborative (ARC) training and e-mentorship programme in sub-Saharan Africa.
Embedding Specialised Educators in Modalities for Continuing Medical Education. A Study of Effectiveness, and Health Care Practitioner and Educator Preferences.
Clin Teach
February 2025
Australian Institute of Health Innovation, Macquarie University, Sydney, New South Wales, Australia.
Introduction: As the delivery of continuing medical education moves towards digital modes, determining how to embed and capitalise on the skills of specialised educators in digital modalities is critical. Drawing on social theories of adult learning and behaviour change, this study trialled multiple delivery modes of education about reproductive genetic 'carrier screening' with varying levels of specialised educator (genetic counsellors) input to examine clinical effectiveness, and health care practitioners and educator preferences.
Methods: A subset of health care practitioners (n = 209) interested in offering carrier screening through a large study were randomly allocated to receive education via face-to-face, a pre-recorded video or an online module, with active or passive educator input.
Connectome embedding in multidimensional graph spaces.
Netw Neurosci
December 2024
Department of Psychology and Neuroscience, Auckland University of Technology, Auckland, New Zealand.
Connectomes' topological organization can be quantified using graph theory. Here, we investigated brain networks in higher dimensional spaces defined by up to 10 graph theoretic nodal properties. These properties assign a score to nodes, reflecting their meaning in the network.
View Article and Find Full Text PDFElectronic structure of metal oxide dications with ammonia ligands and their reactivity towards the selective conversion of methane to methanol.
Front Chem
December 2024
Department of Chemistry and Biochemistry, Auburn University, Auburn, AL, United States.
High-level quantum chemical calculations are performed for the (NH)MO and (NH)MO species (M = Ti-Cu), extending our previous work on the bare MO ions. The potential energy curves along the M-O distance are constructed for the ground and multiple excited electronic states of (NH)MO and are compared to those of MO. We see that ammonia stabilizes the oxo states (MO) over the oxyl (MO) ones.
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