Rapid, Accurate and Reproducible Prediction of the Glass Transition Temperature Using Ensemble-Based Molecular Dynamics Simulation.

For the computational design of new polymeric materials, accurate methods for determining the glass transition temperature () are required. We apply an ensemble approach in molecular dynamics (MD) and examine its predictions of and their associated uncertainty. We separate the uncertainty into the aleatoric contributions arising from dynamical chaos and that due to the computational scenarios chosen to compute .

Comparison of Microfluidic Synthesis of Silver Nanoparticles in Flow and Drop Reactors at Low Dean Numbers.

This study evaluates the performance of continuous flow and drop-based microfluidic devices for the synthesis of silver nanoparticles (AgNPs) under identical hydrodynamic and chemical conditions. Flows at low values of Dean number (De < 1) were investigated, where the contribution of the vortices forming inside the drop to the additional mixing inside the reactor should be most noticeable. In the drop-based microfluidic device, discrete aqueous drops serving as reactors were generated by flow focusing using silicone oil as the continuous phase.

Evolving Trends and Future Demands in ENT Procedures: A Nationwide 10-Year Analysis.

: This study aims to investigate the trends in otology, rhinology, and head and neck (H&N) operations over the past decade in England. These trends will allow for predictive modelling to forecast the demand over the coming years to aid workforce and resource planning in ENT. : Hospital Episode Statistics data were extracted between April 2012 and April 2023.

Continuous Flow Synthesis of Copper Oxide Nanoparticles Enabling Rapid Screening of Synthesis-Structure-Property Relationships.

An adjustable and scalable method for the continuous flow synthesis of cupric oxide nanoparticles (CuO NPs), targetted the reduction of their activity to synthetic biomembranes to inform the fabrication of nanoparticles (NPs) with reduced toxicity for commercial applications. By manipulating key factors; temperature, residence time, and the ratio of precursor to reductant, precise control over the morphology of CuO NPs is achieved with X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirming the formation of needle-shaped CuO NPs. One-variable-at-a-time studies reveal a relationship between the synthesis conditions and the characteristics of the resultant NPs, with CuO NPs varying controllably between 10-50 nanometres in length and 4-10 nanometres in width.

Sex differences in the association between family violence involvement and emergency mental health presentations: a longitudinal analysis.

Purpose: Females experiencing family violence as victims are at increased risk of emergency department mental health presentations. However, few studies have examined this association for males and perpetrators. We examined whether family violence reports to police were associated with contemporaneous mental health presentations and whether this differed for males and females and those that the police identified as perpetrators and victims.