bluuebunny/crossref_metadata_2025_split huggingface dataset:
Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces
Authors: Stark Wojciech G , van der Oord Cas , Batatia Ilyes , Zhang Yaolong , Jiang Bin , Csányi Gábor , Maurer Reinhard J 
Published: July 2024

Abstract
Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the same time, the energy landscapes need to be accurately mapped, as small errors in barriers can lead to large deviations in reaction probabilities. This brings a particularly interesting challenge for machine learning interatomic potentials, which are becoming well-established tools to accelerate molecular dynamics simulations. We compare state-of-the-art machine learning interatomic potentials with a particular focus on their inference performance on CPUs and suitability for high throughput simulation of reactive chemistry at surfaces. The considered models include polarizable atom interaction neural networks (PaiNN), recursively embedded atom neural networks (REANN), the MACE equivariant graph neural network, and atomic cluster expansion potentials (ACE). The models are applied to a dataset on reactive molecular hydrogen scattering on low-index surface facets of copper. All models are assessed for their accuracy, time-to-solution, and ability to simulate reactive sticking probabilities as a function of the rovibrational initial state and kinetic incidence energy of the molecule. REANN and MACE models provide the best balance between accuracy and time-to-solution and can be considered the current state-of-the-art in gas-surface dynamics. PaiNN models require many features for the best accuracy, which causes significant losses in computational efficiency. ACE models provide the fastest time-to-solution, however, models trained on the existing dataset were not able to achieve sufficiently accurate predictions in all cases.
Retrieving past quantum features with deep hybrid classical-quantum reservoir computing
Authors: Nokkala Johannes , Giorgi Gian Luca , Zambrini Roberta 
Published: July 2024

Abstract
Machine learning techniques have achieved impressive results in recent years and the possibility of harnessing the power of quantum physics opens new promising avenues to speed up classical learning methods. Rather than viewing classical and quantum approaches as exclusive alternatives, their integration into hybrid designs has gathered increasing interest, as seen in variational quantum algorithms, quantum circuit learning, and kernel methods. Here we introduce deep hybrid classical-quantum reservoir computing for temporal processing of quantum states where information about, for instance, the entanglement or the purity of past input states can be extracted via a single-step measurement. We find that the hybrid setup cascading two reservoirs not only inherits the strengths of both of its constituents but is even more than just the sum of its parts, outperforming comparable non-hybrid alternatives. The quantum layer is within reach of state-of-the-art multimode quantum optical platforms while the classical layer can be implemented in silico.
CResU-Net: a method for landslide mapping using deep learning
Authors: Pham Thang M , Do Nam , Pham Ha T T , Bui Hanh T , Do Thang T , Hoang Manh V 
Published: July 2024

Abstract
Landslides, which can occur due to earthquakes and heavy rainfall, pose significant challenges across large areas. To effectively manage these disasters, it is crucial to have fast and reliable automatic detection methods for mapping landslides. In recent years, deep learning methods, particularly convolutional neural and fully convolutional networks, have been successfully applied to various fields, including landslide detection, with remarkable accuracy and high reliability. However, most of these models achieved high detection performance based on high-resolution satellite images. In this research, we introduce a modified Residual U-Net combined with the Convolutional Block Attention Module, a deep learning method, for automatic landslide mapping. The proposed method is trained and assessed using freely available data sets acquired from Sentinel-2 sensors, digital elevation models, and slope data from ALOS PALSAR with a spatial resolution of 10 m. Compared to the original ResU-Net model, the proposed architecture achieved higher accuracy, with the F1-score improving by 9.1% for the landslide class. Additionally, it offers a lower computational cost, with 1.38 giga multiply-accumulate operations per second (GMACS) needed to execute the model compared to 2.68 GMACS in the original model. The source code is available at https://github.com/manhhv87/LandSlideMapping.git.
Impact of long-term exposure to ambient particulate matter and nitrogen dioxide on chronic obstructive pulmonary disease: results from the Women’s Health Initiative cohort
Authors: Nori-Sarma Amruta , Eliot Melissa N , Whitsel Eric A , Saquib Nazmus , Bhatti Parveen , Mu Lina , Kaufman Joel D , Sears Clara G , Wellenius Gregory A , Kulick Erin R 
Published: July 2024

Abstract
Rationale: Although COPD prevalence and exacerbations have been linked to ambient pollutants, evidence on the impact of ambient pollutants on COPD incidence is relatively sparse. Objectives: To evaluate the associations of long-term ambient particulate matter (PM2.5; PM10), nitrogen dioxide (NO2), and incident self-reported COPD in the Women’s Health Initiative (WHI), a large prospective cohort study of post-menopausal women across the United States. Methods: We estimated annual average residential pollutant concentrations using validated spatiotemporal models and monitored data. We estimated pollutant-COPD associations as hazard ratios (HRs) and 95% confidence intervals (CI) per inter-quartile range (IQR) increase in pollutant using time-varying Cox proportional hazards models adjusted for potential confounders including sociodemographic characteristics, lifestyle and health factors, and WHI Clinical Center at baseline. Finally, we assessed the joint impact of exposure to multiple pollutants using quantile-based G-computation for survival outcomes. Measurements and Main Results: During the median follow-up time of 11.1 years, the study participants experienced 3532 cases of COPD. HRs ranged from 1.20 (95% CI:1.15, 1.26) per IQR increase in PM2.5, to 1.19 (95% CI:1.13, 1.26) per IQR increase in NO2, to 1.10 (95% CI:1.06, 1.15) per IQR increase in PM10. In our multi-pollutant model, a quartile increase in PM2.5 and NO2 was associated with a HR of 1.16 (95% CI:1.11, 1.20). Conclusions: In this national cohort of post-menopausal women, the long-term residential concentrations of ambient particulate matter (PM2.5 and PM10), and NO2 were associated with a higher risk of incident COPD.
Solar irrigation potential in Sub-Saharan Africa: a crop-specific techno-economic analysis
Authors: Wamalwa Fhazhil , Maqelepo Lefu , Williams Nathan , Falchetta Giacomo 
Published: July 2024

Abstract
In this study, we introduce an integrated modeling framework that combines a hydrologic model, a biophysical crop model, and a techno-economic model to assess solar irrigation potential in Sub-Saharan Africa (SSA) based on seven commonly grown food crops-maize, wheat, sorghum, potato, cassava, tomato, and onion. The study involves determining the irrigation requirements, location-specific capital investment costs, crop-specific profitability, and the cropland area under various cost scenarios (low and high) and soil fertility (low, moderate, near-optimal, and optimal) scenarios. Our research reveals considerable potential for solar irrigation, with profitability and viable cropland areas that vary according to crop type, irrigation system cost scenarios, and soil fertility levels. Our assessment shows that approximately 9.34 million ha of SSA’s current rainfed cropland are hydrologically and economically feasible for solar irrigation. Specifically, maize and onion display the lowest and highest viability, spanning 1–4 million ha and 29–33 million ha, respectively, under optimal soil fertility conditions. In terms of profitability, maize and onion rank as the least and most economically viable crops for solar irrigation, yielding average annual returns of $50-$125/ha and $933-$1450/ha, respectively, under optimal soil fertility conditions. The lower and upper bounds of profitability and cropland range correspond to high-cost and low-cost scenarios, respectively. Furthermore, our study reveals distinct regional differences in the economic feasibility of solar irrigation. Eastern Africa is more economically favorable for maize, sorghum, tomato, and cassava. Central Africa stands out for onion cultivation, whereas West and Southern Africa are more profitable for potato and wheat, respectively. To realize the irrigation benefits highlighted, an energy input of 940-2,168 kWh/ha/yr is necessary, varying by crop and geographic sub-region of the SSA sub-continent. Our model and its results highlights the importance of selecting the right crops, applying fertilizers at the appropriate rates, and considering regional factors to maximize the benefits of solar irrigation in SSA. These insights are crucial for strategic planning and investment in the region’s agricultural sector.
Death on the permafrost: revisiting the 1918-1920 influenza pandemic in Alaska using death certificates
Authors: Sattenspiel Lisa , Mamelund Svenn-Erik , Dahal Sushma , Wissler Amanda , Chowell Gerardo , Tinker-Fortel Emma 
Published: July 2024

Abstract
The 1918-1920 influenza pandemic devastated Alaska’s Indigenous populations. We report on quantitative analyses of pandemic deaths due to pneumonia and influenza (P&I) using information from Alaska death certificates dating between 1915 and 1921 (n = 7147). Goals include a reassessment of pandemic death numbers, analysis of P&I deaths beyond 1919, estimates of excess mortality patterns overall and by age using intercensal population estimates based on Alaska’s demographic history, and comparisons between Alaska Native (AN) and non-AN residents. Results indicate that ANs experienced 83% of all P&I deaths and 87% of all-cause excess deaths during the pandemic. Alaska Native mortality was 8.1 times higher than non-AN mortality. Analyses also uncovered previously unknown mortality peaks in 1920. Both subpopulations showed characteristically high mortality of young adults, possibly due to imprinting with the 1889-1890 pandemic virus, but their age-specific mortality patterns were different: non-AN mortality declined after age 25-29 and stayed relatively low for the elderly, while AN mortality increased after age 25-29, peaked at age 40-44, and remained high up to age 64. This suggests a relative lack of exposure to H1-type viruses pre-1889 among AN persons. In contrast, non-AN persons, often temporary residents, may have gained immunity before moving to Alaska.
1161 Fostering International Surgical Trainee Collaboration: The UK-Iceland Trainee Collaborative
Authors: Cairns G , Shekleton F , Mihailidis T , Lewis H , Schrire T , Conroy S , Pringle H , Barlow C , Mutimer J 
Published: July 2024

Abstract

The Foundation
In 2019, the UK Iceland Trainee Collaborative emerged in response to Iceland’s adoption of the Intercollegiate Surgical Curriculum Programme (ISCP), aligning training portfolios with the UK’s practices. A collaboration between core surgical trainees, this new initiative aimed to champion the transition of Icelandic trainees to a new portfolio system, as well as foster a new relationship to encourage combined research and projects between the two nations.

The Progression
Beyond portfolio alignment, the collaboration expanded into a multifaceted educational platform. Monthly seminars and an annual conference, initially delivered online, provided a forum for knowledge exchange, featuring research showcases, consultant talks, and insights into portfolio optimization and program developments.

The Impact
The collaborative facilitated seamless integration of ISCP into Icelandic trainees’ competency progression, mirroring UK practices. The annual conference, delivered in person in its 3rd edition in Reykjavik, Iceland, in October 2023, received overwhelmingly positive feedback, with high delegate satisfaction rates, highlighting the leadership skills honed by core surgical trainees leading this initiative.

The Future
The collaborative now aims to intensify research partnerships between UK and Icelandic trainees, deepening knowledge exchange and advancing collective understanding. The trajectory for 2024 involves strengthening bonds and knowledge sharing among trainees from both nations through collaborative research initiatives. We hope the annual conference will continue to grow and will alternate between the two nations, strengthening the relationship.
273 Outcomes Reported in Elective Colorectal Cancer Surgery Research for Older Patients: A Scoping Review
Authors: Xavier H , Bhattacharya Y , Poobalan A , Brazzelli M , Ramsay G 
Published: July 2024

Abstract

Aim
This scoping review aimed to identify outcome measures for assessing the impact of elective colorectal cancer surgery on older patients, given their higher surgical risk and mortality rates. Conventional surgery-specific outcomes, like 5-year mortality rates, may not be appropriate, necessitating a focus on postoperative quality of life. The challenge lies in determining optimal outcomes to assess the effects of colorectal cancer resections in the older population.

Method
A comprehensive literature search of major electronic databases from inception to March 2023 was conducted. Studies exploring frail or elderly individuals with colorectal cancer undergoing elective surgery and reporting postoperative outcomes were included. Outcomes were classified as surgery-specific versus person-centred and summarised using a narrative synthesis. The type and rate of surgery-specific outcomes were tabulated.

Results
Of 1366 identified citations, 16 studies focused on person-centred outcomes and 66 exclusively on surgery-specific outcomes. Nine of the 16 ‘person-centred outcome’ studies reported discharge destination, with home discharge being predominant. Postoperative delirium ranged from 8.2% to 18.1% in six studies. Four studies explored geriatric syndromes and three analysed activities of daily living. Three studies reported a significant improvement in quality of life. The 66 ‘surgery-specific outcome’ studies assessed mortality (N=61); length of stay (N=40); postoperative complications (N=47); readmission (N=18); reoperation (N=16); and survival (N=42).

Conclusions
Person-centred outcomes are underreported, despite their importance in guiding patient management. Older patients require adequate information about their recovery after surgery to manage their lives better. Future research must address this gap to improve care for older patients undergoing elective colorectal cancer surgery.
1086 Tetanus Bedside Immuno-Assay. A Quality Improvement Study
Authors: Gkorila A , Nicola A 
Published: July 2024

Abstract

Aim
ProTetanus immunoassay is a bedside test used to determine if a patient has tetanus antibodies. It has been proven to be sensitive and specific at determining tetanus vaccination status. Although it is available on NHS Supply Chain, it is not widely used. Our aim was to prevent unnecessary Revaxis booster administrations as well as reduce the associated cost.

Method
Using a visual protocol based on trust and NICE guidelines, we determined which patients with tetanus prone wounds would otherwise require vaccination due to uncertainty of their previous immunisation. ProTetanus test was used to assess their immune status. If no immunity was shown, a booster was administered. A simple questionnaire was used to collect data on the test result, ease of use, and time required to perform the test.

Results
18 responses were recorded over 2 months. 2 patients were unnecessarily tested but all patients were treated correctly. In terms of cost efficiency, Revaxis costs £10.16 per vial and ProTetanus £4.15 per test. Therefore, a negative test costs £14.31 and a positive test costs £4.15. In our unit, without ProTetanus, 17 doses of Revaxis would have been administered, costing £172.72. With ProTetanus, 8 doses were prevented, dropping the cost to £161.99.

Conclusions
The introduction of ProTetanus, prevents unnecessary tetanus booster administrations for our patients, improves the level of clinical care, and provides a cost reduction. We have demonstrated that the use of the immunoassays becomes easier with use and minimise reliance on registered nurses. We strongly advocate its use into other departments and units.
910 MIND THE BUMP - a Multi-Site Initiative Promoting Allyship for Pregnant Colleagues in Theatres
Authors: Brown R , Rogers M , Jenkins L , Marino S , Gibby M , Dunkerley S , Graham S , Hristova K , Pentlow A , Vipulendran I , Pearce K , Schmuel E , Pavlova K , Cyclewala S , Roope J , McNish A , Lyons M , Ryan E , English C , Rushton F , Thomas O , Bolchover L 
Published: July 2024

Abstract

Aim
Awareness of considerations to keep pregnant colleagues safe in theatres is crucial for equity and diversity. National orthopaedic guidance exists for radiation, cement exposure, gas induction, scrub, and managing symptoms. Lack of knowledge of guidance can cause anxiety for pregnant staff and friction between colleagues. This multi-centre initiative assessed and improved awareness of pregnancy considerations amongst theatre staff, promoting allyship and a supportive environment,

Method
A questionnaire assessing knowledge of published guidance on pregnancy considerations was completed by orthopaedic theatre staff (surgeons, anaesthetists, nurses, allied health professionals and students) at eight trusts. Educational posters were displayed in theatres and changing areas. The questionnaire was then repeated.

Results
290 pre-poster (49.1%:50.2%:0.7% Male:Female:Non-Binary) and 220 post-poster (37.8%:62.2%:0.0% M:F:NB) questionnaires were completed. Pre-poster, the average percentage of correct questionnaire answers was 22.4%, with a significant 47.3% increase post-poster to 69.8% (95%CI 43.8%-50.8%, p=0.0000). Knowledge varied widely across domains, increasing across all topics (radiation 9.0% to 61.4%, scrub 17.2% to 74.5%, cement 30.3% to 72.3%, gas induction 10.7% to 57.7% and symptom management 45.2% to 82.7%). There was a significant post-poster difference of 21.9% (95% CI 16.3%-27.5%, p=0.0000) between female and male scores (females scoring higher), compared to a non-significant pre-poster difference of 4.2% (95%CI -0.4% to +8.8%, p=0.0783).

Conclusions
This study revealed a low pre-existing knowledge of important pregnancy considerations amongst theatre staff. A simple poster campaign transformed awareness in all staff groups and should be expanded across specialties and nationwide to promote allyship and support for our pregnant colleagues.
1276 Creating Safer Theatres. Tackling Religious Headwear Discrimination Nationally
Authors: Okocha M , Giorga A ,   ASGBI Moynihan Academy
Published: July 2024

Abstract

Aim
To identify and challenge discriminatory EDI practices. To improve adoption of national policies on surgical headwear in theatre.

Method
Freedom of information requests were sent to 124 hospitals with emergency general surgery theatres. Data requested included total staff number, BAME staff percentage, theatre staff percentage, Muslim theatre staff (including ODPs, porters, medical, nursing staff, surgeons, junior doctors), female Muslim staff number, and copies of uniform policies, especially on religious headwear. Two senior trainees reviewed policies.

Results
100 of 124 trusts responded to the FOI request. Percentage of BAME staff ranged from 5% to 47%. 12 trusts had no BAME members of staff working in theatres or could not release this data for risk of their few personal being identified. 97 policies were reviewed. 80% of the policies reviewed adhered or replicated the national guidance. Potentially discriminatory practices included necessitating disposable head wear be always worn, lack of specific guidance on the wearing of hijabs, and one policy which appeared to request they would not be worn.

Conclusions
This project highlights significant disparities in EDI policies within hospital theatre teams, especially regarding religious headwear. The lack of specific accommodations for religious garments creates an exclusionary environment. This can lead to increased stress and lower sense of belonging amongst minority staff. The findings emphasise the need for hospitals to re-evaluate and reform their policies, those with poor practices have been contacted. We aim to foster a more inclusive, equitable workplace.
939 A Comparison of the Short-Term Outcomes Following Robotic-Assisted and Computer-Navigated Total Knee Replacements
Authors: Chen G A 
Published: July 2024

Abstract

Aim
Total knee replacements (TKR) remain as one of the most effective procedures for restoring quality of life. Computer-navigated TKR (CN-TKR) have been consistently used for the last two decades whereas robotic-assisted TKR (RA-TKR) have been recently introduced into practice.
The primary outcome of this study was to compare the early outcomes following RA-TKR and CN-TKR.

Method
This retrospective, single-centre, cohort study identified all the patients who underwent a TKR in the Golden Jubilee National Hospital by a single primary hip and knee replacement surgeon between 12th January 2021 and 22nd April 2022. Results were analysed for statistical significance.

Results
111 patients underwent a TKR between January 2021 and April 2022. 26 patients underwent a RA-TKR using Stryker’s MAKO SmartRobotics and 85 patients underwent CN-TKR using B. Braun’s OrthoPilot®. Patients who had an RA-TKR were younger, with the average being 64 compared to 69. They also had a greater ROM pre-operatively, with an additional 9 degrees of movement on average.
However, post-operatively there was no difference in ROM. There was no change in the mean length of stay (LOS), operation length, blood loss, Oxford score, EQ5-D score, and Forgotten Joint Score. At the 6-week follow-up, 96% of RA-TKR patients were either satisfied or very satisfied compared to 91% of CN-TKR patients.

Conclusions
This study found no significant difference in short-term clinical outcomes between RA-TKR and CN-TKR. However, a small sample size and a relatively short time frame in which data was collected limits this study to some extent and further research is recommended.