The energetics of electron and proton transfer to CO2 in aqueous solution

Acknowledgements We are grateful for funding support from the National Natural Science Foundation of China (Grants Nos 21861132015, 21991151, 21991150, 22021001 and 91745103). The support of the Leverhulme Trust (RPG-2015-0400) is gratefully acknowledgedPeer reviewedPublisher PD

Water-in-salt environment reduces the overpotential for reduction of of CO2 to CO2 : in ionic liquid/water mixtures

ACKNOWLEDGMENT We are grateful for funding support from the National Natural Science Foundation of China (Grants Nos 21861132015, 21991151, 21991150, 22021001, 91745103, 92161113, 91945301 and 3502Z20203027). The support of the Leverhulme Trust (RPG-2015-0400) is gratefully acknowledged. We are also very grateful to the reviewers for their helpful suggestions to improve readability.Peer reviewedPostprin

On exploiting social relationship and personal background for content discovery in P2P networks

International audienceContent discovery is a critical issue in unstructured Peer-to-Peer (P2P) networks as nodes maintain only local network information. However, similarly without global information about human networks, one still can find specific persons via his/her friends by using social information. Therefore, in this paper, we investigate the problem of how social information (i.e., friends and background information) could benefit content discovery in P2P networks. We collect social information of 384, 494 user profiles from Facebook, and build a social P2P network model based on the empirical analysis. In this model, we enrich nodes in P2P networks with social information and link nodes via their friendships. Each node extracts two types of social features-Knowledge and Similarity-and assigns more weight to the friends that have higher similarity and more knowledge. Furthermore, we present a novel content discovery algorithm which can explore the latent relationships among a node's friends. A node computes stable scores for all its friends regarding their weight and the latent relationships. It then selects the top friends with higher scores to query content. Extensive experiments validate performance of the proposed mechanism. In particular, for personal interests searching, the proposed mechanism can achieve 100% of Search Success Rate by selecting the top 20 friends within two-hop. It also achieves 6.5 Hits on average, which improves 8x the performance of the compared methods

PASCal: A principal-axis strain calculator for thermal expansion and compressibility determination

We describe a web-based tool (PASCal; Principal Axis Strain Calculator) aimed at simplifying the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice parameter data. In a series of three case studies, we use PASCal to re-analyse previously-published lattice parameter data and show that additional scientific insight is obtainable in each case. First, the two-dimensional metal-organic framework Cu-SIP-3 is found to exhibit the strongest area-negative thermal expansion (NTE) effect yet observed; second, the widely-used explosive HMX exhibits much stronger mechanical anisotropy than had previously been anticipated, including uniaxial NTE driven by thermal changes in molecular conformation; and, third, the high-pressure form of the mineral malayaite is shown to exhibit a strong negative linear compressibility (NLC) effect that arises from correlated tilting of SnO6 and SiO4 coordination polyhedra.Comment: 31 pages, 8 figures, formatted as preprint for J. Appl. Crys

Lower Extremity Injury Rates on Artificial Turf Versus Natural Grass Surfaces in the National Football League During the 2021 and 2022 Seasons.

BACKGROUND: It has been argued that the use of artificial turf football fields in the National Football League (NFL) increases player injury risk compared with natural grass surfaces. PURPOSE/HYPOTHESIS: The purpose of this study was to quantify the rate of lower extremity injuries occurring in NFL players on artificial turf compared with natural grass surfaces and characterize the time missed due to injury and proportion of injuries requiring surgery. It was hypothesized that lower extremity injuries requiring surgical intervention would occur at a higher rate on artificial turf than on natural grass. STUDY DESIGN: Descriptive epidemiology study. METHODS: Lower extremity injury data for the 2021 and 2022 NFL seasons were obtained using publicly available records. Data collected included injury type, player position, player age, playing surface, weeks missed due to injury, and whether the patient underwent season-ending or minor surgery. Multivariable logistic regression was performed to determine the risk of season-ending surgery according to playing surface. RESULTS: When combining injuries for the 2021 and 2022 seasons (N = 718 injuries), the incidence rate of lower extremity injury was 1.22 injuries/game for natural grass and 1.42 injuries/game for artificial turf. The odds of a season-ending surgery were found to be significantly higher on artificial turf compared with natural grass (odds ratio = 1.60; 95% CI, 1.28-1.99; P < .05), while additional variables, including weather, age, position, week of injury occurrence, and history of prior injury, did not influence the odds of season-ending surgery. CONCLUSION: The 2021 and 2022 NFL seasons of our analysis demonstrated a higher incidence rate of injuries on artificial turf surfaces compared with natural grass surfaces. In addition, the odds of injury requiring season-ending surgery were found to be significantly higher on artificial turf compared with natural grass

Computational Ag/AgCl Reference Electrode from Density Functional Theory-Based Molecular Dynamics.

We have developed a scheme to compute the standard potential of the Ag/AgCl reference electrode using density functional theory-based molecular dynamics, similar to the computational standard hydrogen electrode (SHE) developed by Cheng, Sulpizi, and Sprik [ J. Chem. Phys. 2009, 131, 154504], with which our new computational reference electrode was compared. We have obtained a similar value of the potential of the Ag/AgCl electrode versus SHE to the experiment. The newly developed computational reference electrode will be extended to nonaqueous solvents in the future, where it will be used to predict standard equilibrium potentials to be compared with experimental data