Background: Ordering of computed tomography (CT) scans needs to consideration of diagnostic utility as well as resource utilisation and radiation exposure. Several factors influence ordering decisions, including evidence-based clinical decision support tools to rule out serious disease. The aim of this qualitative study was to explore factors influencing Emergency Department (ED) doctors' decisions to order CT of the head or cervical spine.
Methods: In-depth semi-structured interviews were conducted with purposively selected ED doctors from two affiliated public hospitals. An interview tool with 10 questions, including three hypothetical scenarios, was developed and validated to guide discussions. Interviews were audio recorded, transcribed verbatim, and compared with field notes. Transcribed data were imported into NVivo Release 1.3 to facilitate coding and thematic analysis.
Results: In total 21 doctors participated in semi-structured interviews between February and December 2020; mean interview duration was 35 min. Data saturation was reached. Participants ranged from first-year interns to experienced consultants. Five overarching emerging themes were: 1) health system and local context, 2) work structure and support, 3) professional practices and responsibility, 4) reliable patient information, and 5) holistic patient-centred care. Mapping of themes and sub-themes against a behaviour change model provided a basis for future interventions.
Conclusions: CT ordering is complex and multifaceted. Multiple factors are considered by ED doctors during decisions to order CT scans for head or c-spine injuries. Increased education on the use of clinical decision support tools and an overall strategy to improve awareness of low-value care is needed. Strategies to reduce low-yield CT ordering will need to be sustainable, sophisticated and supportive to achieve lasting change.
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http://dx.doi.org/10.1186/s12913-022-08156-2 | DOI Listing |
Soft Matter
January 2025
Department of Mechanical and Aerospace Engineering, University at Buffalo, Buffalo, NY 14260, USA.
Monolayer assembly of charged colloidal particles at liquid interfaces opens a new avenue for advancing the additive manufacturing of thin film materials and devices with tailored properties. In this study, we investigated the dynamics of electrosprayed colloidal particles at curved droplet interfaces through a combination of physics-based computational simulations and machine learning. We employed a novel mesh-constrained Brownian dynamics (BD) algorithm coupled with Ansys® electric field simulations to model the transport and assembly of charged particles on a non-spherical droplet surface.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Minjiang Collaborative Center for Theoretical Physics, College of Physics and Electronic Information Engineering, Minjiang University, Fuzhou 350108, China.
Complex functional materials are characterized by intricate and competing bond orders, making them an excellent platform for evaluating the newly developed strongly constrained and appropriately normed (SCAN) density functional. In this study, we explore the effectiveness of SCAN in simulating the electronic properties of displacive ferroelectrics (BaTiO3 and PbTiO3) and magnetoelectric multiferroics (BiFeO3 and YMnO3), which encompass a broad spectrum of bonding characteristics. Due to a significant reduction in self-interaction error, SCAN manifests its improvements over the Perdew-Burke-Ernzerhof (PBE) method in three aspects: SCAN predicts more accurate ionicity, produces more compact orbitals, and better captures d-orbital anisotropy.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Computer Science, Stanford University, Stanford, California 94305, USA.
Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions-for example, with various mutations or bound ligands-in order to identify differences between the molecular conformations adopted under these conditions. However, the large amount of data produced by simulations of ever larger and more complex systems often renders it difficult to identify the structural features that are relevant to a particular biochemical phenomenon.
View Article and Find Full Text PDFLangmuir
January 2025
Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, Műegyetem rkp. 3, 1111 Budapest, Hungary.
During the experimental formation of sol-gel coatings, the colloid dispersions go through a drying process, and the structure of the coatings is formed as a result of complex chemical, colloidal, and capillary interactions. While computer simulations provide guidelines to tune and even design the nanomaterials synthesis, simulations of coating structure formation are hitherto unknown in the literature. Based on real experiments, we establish here a ReaxFF reactive force field-based molecular dynamics simulation protocol in order to investigate and determine the role of the experimental conditions on the pore structure formation in the coatings.
View Article and Find Full Text PDFNano Lett
January 2025
Departments of Chemistry, and Physics and Astronomy, University of Southern California, Los Angeles, California 90089, United States.
A-site cations in ABX metal halide perovskites do not contribute to the frontier electronic states. They influence optoelectronic properties indirectly through interaction with the BX sublattice. By systematically investigating correlated motions of Cs cations and the PbX lattice (X = Cl, Br, I), we demonstrate that the interaction between the two subsystems depends on electronegativity and size of the X-site anion.
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