Si-Doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures by Qi An (331241)

“…Then we derived the full reaction path of the HB process for the Si doped Fe-bcc(111) from QM simulations, which we combined with kinetic Monte Carlo (kMC) simulations to predict a ∼13-fold increase in turnover frequency (TOF) under typical extreme HB conditions (200 atm reactant pressure and 500 °C) and a ∼43-fold increase in TOF under ideal HB conditions (20 atm reactant pressure and 400 °C) for the Si-doped Fe catalyst, in comparison to pure Fe catalyst. …”

Si-Doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures by Qi An (331241)

“…Then we derived the full reaction path of the HB process for the Si doped Fe-bcc(111) from QM simulations, which we combined with kinetic Monte Carlo (kMC) simulations to predict a ∼13-fold increase in turnover frequency (TOF) under typical extreme HB conditions (200 atm reactant pressure and 500 °C) and a ∼43-fold increase in TOF under ideal HB conditions (20 atm reactant pressure and 400 °C) for the Si-doped Fe catalyst, in comparison to pure Fe catalyst. …”

Discovery of Dramatically Improved Ammonia Synthesis Catalysts through Hierarchical High-Throughput Catalyst Screening of the Fe(211) Surface by Jon Fuller (6919253)

“…We then carried out kinetic Monte Carlo simulations for 60–120 min using 100 replicas with the full reaction path using rates from QM free-energy reaction barriers to predict that the TOF for the Co-doped surface increases by a factor of 2.8 with respect to the undoped Fe(211)­R surface. …”

Discovery of Dramatically Improved Ammonia Synthesis Catalysts through Hierarchical High-Throughput Catalyst Screening of the Fe(211) Surface by Jon Fuller (6919253)

“…We then carried out kinetic Monte Carlo simulations for 60–120 min using 100 replicas with the full reaction path using rates from QM free-energy reaction barriers to predict that the TOF for the Co-doped surface increases by a factor of 2.8 with respect to the undoped Fe(211)­R surface. …”

<b>Triptolide alleviates </b><b>cognitive</b><b> impairment via </b><b>autophagy</b><b> and Akt/mTOR/p70S6K pathway in an APP/PS1 Alzheimer’s disease mouse model</b> by xinyao Qi (21686459)

“…</p><p dir="ltr">The Morris Water Maze (MWM) test assessed cognitive function, where TP treatment significantly decreased escape latencies in AD mice without affecting swimming speeds, suggesting improved spatial learning and memory independent of motor function. …”

Chemical kinetic analysis of multi-pollutant emissions from high temperature combustion of sewage sludge by Hui Chen (28597)

“…Further analysis revealed that at a residence time 4 seconds and an excess air factor of 1.38, temperature had a significant effect on pollutant emissions. Within the temperature range of 800°C-1000°C, CO concentration decreased by 3115 mg/m³, and N₂O concentration decreased by 47.5 mg/m³, while NO and HCl concentrations increased by 46.07 mg/m³ and 55.37 mg/m³, respectively. …”

Supplementary Material for: In the Mood for a Blood Donation? Pilot Study about Momentary Mood, Satisfaction, and Return Behavior in Deferred First-Time Donors by Greffin K. (10034441)

“…The impact of deferral, momentary mood, and satisfaction with the donation process on return behavior within 12 months was tested by calculating two path analyses, controlling for sex and age. <b><i>Results:</i></b> Mood (<i>p</i> < 0.001) and satisfaction with social aspects of the donation process (<i>p</i> = 0.01) were decreased after deferral. …”

Data_Sheet_1_Caregiver support and burden drive intention to engage in a peer-to-peer exchange of services among caregivers of dementia patients.pdf by O. Zeynep Aksin (16499874)

“…Introduction<p>The number of people diagnosed with dementia is increasing, creating significant economic burden globally. …”

IntegraBrain: A multi-modal neural interface for the detection and suppression of focal epilepsy by Spencer Moore (8440863)

“…Comparison of nominal seizure recordings to those during active cooling indicate successful seizure suppression with seizure activity suppression increasing as cooling temperature decreases. A ~67% reduction in broadband seizure magnitude (0-30Hz) was recorded when cooling to 18°C.…”

Implementation and first experiences with a multimodal mentorship curriculum for medicine-paediatrics residents by Lao-Tzu Allan-Blitz (12073783)

“…KEY MESSAGES</p><p>Among resident physicians in a single training program, a mix of mentor–mentee dyads, group-based peer mentoring and a structured curriculum has shown promise in improving resident-reported satisfaction with programmatic mentorship</p><p>While we attempted to adapt the mentorship curriculum to an online platform with the development of the SARS-CoV-2 pandemic, reported satisfaction in overall mentorship and emotional support decreased in comparison to the prior year, an important focus for future work.…”