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Co-Designing a Digital Brief Intervention to Reduce the Risk of Prescription Opioid-Related Harm Among People With Chronic Noncancer Pain: Qualitative Analysis of Patient Lived Experiences.
JMIR Form Res
January 2025
Faculty of Medicine, The University of Queensland, Brisbane, Australia.
Background: Opioid medications are important for pain management, but many patients progress to unsafe medication use. With few personalized and accessible behavioral treatment options to reduce potential opioid-related harm, new and innovative patient-centered approaches are urgently needed to fill this gap.
Objective: This study involved the first phase of co-designing a digital brief intervention to reduce the risk of opioid-related harm by investigating the lived experience of chronic noncancer pain (CNCP) in treatment-seeking patients, with a particular focus on opioid therapy experiences.
Reliable 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 PDFModelling epidemiological dynamics with pseudo-recovery via fractional-order derivative operator and optimal control measures.
PLoS One
January 2025
Department of Pure and Applied Mathematics, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.
In this study, a new deterministic mathematical model based on fractional-order derivative operator that describes the pseudo-recovery dynamics of an epidemiological process is developed. Fractional-order derivative of Caputo type is used to examine the effect of memory in the spread process of infectious diseases with pseudo-recovery. The well-posedness of the model is qualitatively investigated through Banach fixed point theory technique.
View Article and Find Full Text PDFPiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems.
J Chem Theory Comput
January 2025
Department of Chemistry-Ångström Laboratory, Uppsala University, Lägerhyddsvägen 1, P.O. Box 538, 75121 Uppsala, Sweden.
Electrochemical energy storage and conversion play increasingly important roles in electrification and sustainable development across the globe. A key challenge therein is to understand, control, and design electrochemical energy materials with atomistic precision. This requires inputs from molecular modeling powered by machine learning (ML) techniques.
View Article and Find Full Text PDFAssociations Between Intrinsic Motivation, Exercise Attitudes, Physical Activity, and Mental Health in Young Adolescents: An Integrated Motivational Perspective.
Res Q Exerc Sport
January 2025
HERC - Health, Exercise & Research Center.
: Physical activity (PA) and mental health (MH) are priorities for health promotion during early adolescence. This study explored associations between intrinsic motivation for PA, exercise attitudes, PA and MH in young adolescents. : Participants were 315 students (M = 11.
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