The combination of a heterogeneous catalyst operating within a defined reactor comes within the domain of reaction engineering, which takes cognisance of combined roles for both the catalyst and the reactor to define the overall operational system. One technique which is demonstrating much promise in investigating reaction engineering issues is neutron imaging. The technique is skewed towards monitoring hydrogen and hydrogenous species so, with hydrogen being ubiquitous in industrial organic chemistry and the penetrating power of the neutrons, neutron imaging can monitor hydrogen concentrations distributed throughout steel reactors whilst the reaction is taking place.
View Article and Find Full Text PDFThe simulation of excited states at low computational cost remains an open challenge for electronic structure (ES) methods. While much attention has been given to orthogonal ES methods, relatively little work has been done to develop nonorthogonal ES methods for excited states, particularly those involving nonorthogonal orbital optimization. We present here a numerically stable formulation of the Resonating Hartree-Fock (ResHF) method that uses the matrix adjugate to remove numerical instabilities arising from nearly orthogonal orbitals, and as a result, we demonstrate improvements to ResHF wavefunction optimization.
View Article and Find Full Text PDFAdvances in electronics and materials science have led to the development of sophisticated components for clinical and research neurotechnology systems. However, instrumentation to easily evaluate how these components function in a complete system does not yet exist. In this work, we set out to design and validate a software-defined mixed-signal routing fabric, 'xDev', that enables neurotechnology system designers to rapidly iterate, evaluate, and deploy advanced multi-component systems.
View Article and Find Full Text PDFObjectives: The escalating overdose crisis in the United States points to the urgent need for new and novel data tools. Overdose data tools are growing in popularity but still face timely delays in surveillance data availability, lack of completeness, and wide variability in quality by region. As such, we need innovative tools to identify and prioritize emerging and high-need areas.
View Article and Find Full Text PDFHistorical instances of medical racism and the impact of ongoing disparities are an understudied determinant of Black women's sexual health. Here, we use a Black feminist approach to engage Black women in a qualitative exploration of the impact of medical racism on their health-related decision-making. Specifically, we explore the question, how does exposure to information on medical racism impact Black women today and inform their perceptions of healthcare? This qualitative study uses Black feminist approaches to study design including advisory boards, interviewer concordance, and focus group data collection with Black female college students who were in the developmental phase of emerging adulthood, ages 18-25.
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