Publications by authors named "J O Harter"
Objectives: to compare the sociodemographic and clinical severity indicators of hospitalized people with HIV in relation to clinical outcomes and urgent hospital admission.
Methods: a retrospective cohort study was conducted with 102 medical records of HIV-infected individuals hospitalized in a hospital in southern Brazil. In addition to descriptive analysis, Fisher's exact test, Pearson's Chi-square, and logistic regression were used.
Introduction: We sought to develop clinical guidelines within our multidisciplinary Breast Center to support decision-making for managing high-risk breast lesions. The objective is to describe the process used to develop these guidelines and assess perceived acceptability.
Methods: We recruited clinical stakeholders to identify key "high-risk" topics.
The seventh blind test of crystal structure prediction: structure ranking methods.
Acta Crystallogr B Struct Sci Cryst Eng Mater
December 2024
Article Synopsis
- Participants from 22 research groups utilized various methods, including periodic DFT-D methods, machine learning models, and empirical force fields to assess crystal structures generated from standardized sets.
- The findings indicate that DFT-D methods generally aligned well with experimental results, while one machine learning approach showed significant promise; however, the need for more efficient research methods was emphasized due to resource consumption.
The seventh blind test of crystal structure prediction: structure generation methods.
Acta Crystallogr B Struct Sci Cryst Eng Mater
December 2024
A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target systems of varying complexity: a silicon and iodine-containing molecule, a copper coordination complex, a near-rigid molecule, a cocrystal, a polymorphic small agrochemical, a highly flexible polymorphic drug candidate, and a polymorphic morpholine salt. In this first of two parts focusing on structure generation methods, many crystal structure prediction (CSP) methods performed well for the small but flexible agrochemical compound, successfully reproducing the experimentally observed crystal structures, while few groups were successful for the systems of higher complexity. A powder X-ray diffraction (PXRD) assisted exercise demonstrated the use of CSP in successfully determining a crystal structure from a low-quality PXRD pattern.
View Article and Find Full Text PDFObjective: The aim of the study is to spotlight the challenges, gaps, and opportunities to improve workforce mental health and well-being in higher education institutions.
Methods: We convened a full-day summit of subject matter experts from academia, business, government, and practice to share research and best practices on workplace mental health.
Results: Highlights from the summit are presented in this paper covering the importance of leadership and culture; the mental health costs associated with being a Black STEM scholar; the role of the environment; case studies of three university mental health and well-being programs; and the future of work.