Royal Society Open Science最新文献

The values of the shear v _s and longitudinal v _l wave velocities were calculated for 14 selected titanium oxynitrides TiN _x O _y using the known values of Young's modulus and Debye temperature. The errors Δ of the calculations did not exceed ±0.01%. It turned out that some TiN _x O _y samples are able to compete with artificial diamonds in terms of v _l values and can potentially be used in acoustic resonators for intelligent chemical and biochemical sensors. A number of elastic, thermodynamic and thermophysical quantities were calculated, and graphical dependencies between them were plotted. The established correlations were used to develop two algorithms for predicting the properties of TiN _x O _y alloys based on a single experimental parameter, namely the X-ray coefficient of thermal expansion or pycnometric density. The highest accuracy was shown by the method based on the experimental density, which allowed to estimate, with acceptable errors, the values of the shear v _s and mean v _m wave velocities (Δ = ±(1-5)%), the minimum thermal conductivity λ _min within the framework of the Cahill‒Pohl model (Δ = ±(0-3)%), the isobaric C _p and isochoric C _V heat capacities (Δ < 1%); while the known experimental methods and alternative models for determining these quantities are characterized by wider error intervals: Δ(v _s) = ±(1-10)%, Δ(λ) = ±(1-10)% and Δ(C _p) = ±(1-3)%.

A set of alkyl-/1H-1,2,3-triazole-based dimers was strategically designed and synthesized to evaluate their in vitro anti-mycobacterial activities against Mycobacterium tuberculosis and the non-tuberculous Mycobacterium abscessus strains. Systematic variations in the nature (alkyl/1H-1,2,3-triazole) and positioning of the linker were implemented based on the docking scores observed in the binding sites identified in the crystal structures of InhA from M. tuberculosis and M. abscessus. However, the in vitro evaluation results revealed that the synthesized compounds did not exhibit inhibitory effects on the growth of mycobacteria, even at the highest tested concentrations. The elevated lipophilicity values determined through ADMET studies for these synthesized dimers might be a contributing factor to their poor activity profiles.

As large language models (LLMs) continue to gain popularity due to their human-like traits and the intimacy they offer to users, their societal impact inevitably expands. This leads to the rising necessity for comprehensive studies to fully understand LLMs and reveal their potential opportunities, drawbacks and overall societal impact. With that in mind, this research conducted an extensive investigation into seven LLMs, aiming to assess the temporal stability and inter-rater agreement on their responses on personality instruments in two time points. In addition, LLMs' personality profile was analysed and compared with human normative data. The findings revealed varying levels of inter-rater agreement in the LLMs' responses over a short time, with some LLMs showing higher agreement (e.g. Llama3 and GPT-4o) compared with others (e.g. GPT-4 and Gemini). Furthermore, agreement depended on used instruments as well as on domain or trait. This implies the variable robustness in LLMs' ability to reliably simulate stable personality characteristics. In the case of scales which showed at least fair agreement, LLMs displayed mostly a socially desirable profile in both agentic and communal domains, as well as a prosocial personality profile reflected in higher agreeableness and conscientiousness and lower Machiavellianism. Exhibiting temporal stability and coherent responses on personality traits is crucial for AI systems due to their societal impact and AI safety concerns.

Urbanization induces homogenization and changes the behavioural patterns of various bird species, thereby facilitating coexistence and prompting adaptations to disturbances in urban environments. However, there is limited research on the influence of how urbanization affects bird tolerance towards humans, especially in developing sub-tropical regions such as Nepal, which is undergoing rapid unplanned urbanization. This study identified the flight initiation distance (FID) as a proxy for assessing bird tolerance. We focused on evaluating the human tolerance levels of 33 bird species using their FIDs in urban and rural habitats within Kathmandu Valley, a rapidly urbanizing city in South Asia. We found higher tolerance in urban birds than in their rural conspecifics, which varies mainly with dietary guild and season. The positive impact on FID was associated with time of the day and body size, while a negative association was observed with flock size, mean population density of humans and interaction between body size and elevation. Our study highlights the increased tolerance level of birds in urban areas, probably owing to habituation, and emphasizes the imperative need to investigate the potential adverse effect on urban bird population owing to this increased tolerance level.

Talus morphology (shape and size) plays a pivotal role in talocrural joint function. Despite its importance, the relationship between talus morphology, particularly the talar dome, and dynamic, in vivo talocrural function is poorly understood. Understanding these form-function relationships in a healthy cohort is essential for advancing patient-specific treatments aimed at restoring function. Nine participants (five females) hopped on one leg while biplanar videoradiography and ground reaction forces were simultaneously collected. Three-dimensional bone models were created from computed tomography scans. Helical axes of motion were calculated for the talus relative to the tibia (rotation axes), and a cylinder was fitted through the talar dome (morphological axis). Bland-Altman plots and spatial angles were used to examine the level of agreement between the rotation and morphological axes. A shape model of 36 (15 females) participants was established, and a cylinder fit was morphed through the range of ±3 standard deviations. The rotation and morphological axes largely agree regarding their orientation and location during hopping. The morphological axes were consistently oriented more anteriorly during landing than the rotation axes. Some shape components affect talar dome orientation and curvature independent of size. This suggests that besides bone size, the shape of the talar dome might influence the movement pattern during locomotion. Our findings may further inform talocrural joint arthroplasty design.

The maximal Lyapunov exponent (MLE) has been used to quantify the dynamic stability of human locomotion. The method for estimating MLE requires selecting a proper time series of kinematic variables and reconstructing phase space using proper time delay. The data length also affects the reliability of the measured MLE. However, there has been no criterion for the choice of the time series, time delay or data length. Here, we quantified the effect of these factors on the test-retest reliability of MLE estimations. We recruited 15 young and healthy adults and let them walk on a treadmill three times. We calculated MLE employing various lengths of time series of 18 frequently used kinematic variables and two typical choices of time delay: fixed delay and delay selected by average mutual information algorithm. Then, we measured the intraclass correlation coefficient (ICC) of the measured MLE under each condition. Our results show that the choice of time delay does not affect reliability. Five among the 18 kinematic variables enabled excellent reliability with ICC above 0.9 within 450 strides and also enabled ICC above 0.75 even with 60 or less strides. These findings can contribute to establishing the criteria for measuring the dynamic stability of human walking.

Polycyclic aromatic hydrocarbons (PAHs) are a group of emerging chemical pollutants that pose severe health challenges and toxicity to people and aquatic organisms exposed to these pollutants. This study sought to assess the types and levels of PAHs and their eco-toxicity indices in surface waters of Narok and Bomet counties of Kenya, which have witnessed an increase in charcoal-burning activities and vehicular emissions near water bodies. Sampling was done in eight regions of the two counties based on their proximity to PAH sources. Extraction of the water samples was done via a solid-phase mmethod. Seven US Environmental Protection Agency (US EPA) priority PAHs were detected. The concentrations of these PAHs varied from below the limits of detection up to 31.42 µg l^-1 for dibenzo[a,h]anthracene. The majority of the PAHs from Narok County were pyrogenic, while those from Bomet were petrogenic based on PAH diagnostic ratios. The surface waters were significantly polluted with dibenzo[a,h]anthracene, with risk quotients above 1.0 in the surface waters, and were found to be hazardous, with hazard quotients above 10.0, thus indicating potential environmental risks. The findings indicate the need for stringent measures to be put in place to mitigate the risks posed by these PAHs.

Here, we synthesized Co-based, anion-incorporated‍ ‌R‌u‌d‌d‌l‌e‌s-d‌e‌n‌-‌Popper perovskite electrocatalysts (LaSrCoO_4-x X _y ) and compared their catalytic performances in the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). The ORR mechanism with the newly synthesized F-doped LaSrCoO₄ catalyst was dominated by a four-electron process, and the number of electrons involved in the reaction increased compared with that for LaSrCoO₄. The OER activity of the hydride-doped LaSrCoO₄ catalyst was the highest among the LaSrCoO₄ system catalysts. Density functional theory calculations revealed that there is a correlation between the Co 3d unoccupied orbital band centre and the OER activity. The addition of anions and substitution of metal sites improved the ORR and OER activities of the catalysts. Our findings confirmed that the addition of heteroatom anions can improve the activity of perovskite-type electrocatalysts, promoting their application in various fields.

The Oligocene-Miocene transition witnessed great environmental and faunal changes, spanning from late Oligocene to early Miocene (MP28-MN3). Its drivers and consequences on mammals are, however, poorly understood. Rhinocerotoids are among the most affected taxa, reflected by great taxonomical and morphological changes. However, potential associated changes in ecology have not been explored. Here, we investigated the palaeoecology of 10 rhinocerotid species coming from 15 localities across Western Europe and ranging from MP28 to MN3. We explored evolutionary trends for diet, physiology and habitat via dental wear, hypoplasia, body mass and stable isotopy. All rhinocerotids studied were C3 feeders, whether browsing or mixed-feeding, but clear dietary differences were observed at some localities and between Oligocene and Miocene rhinocerotids. The prevalence of hypoplasia was low (less than 10%) to moderate (less than 20%), but there were great differences by loci, species and localities. Body mass covaried with hypoplasia prevalence, suggesting that larger species might be more susceptible to stresses and environmental changes. We reconstructed similar warm conditions at all localities except Gaimersheim, but found greater variations in precipitation. Indeed, a clear shift in δ¹³C values was noticed at the end of the Oligocene, consistent with climatic and vegetation changes reported at that time.

Nearly three billion people actively use Facebook, making it the largest social media platform in the world. Previous research shows that the social media platform reduces users' happiness, while increasing political knowledge. It also may increase partisan polarization. Working to build a scientific consensus, we test whether the potential negative effects of Facebook use can be overcome with the help of minimalist informational interventions that a parallel line of research has shown to be effective at inducing people to be more accurate and civil. We conducted a pre-registered well-powered Facebook deactivation experiment during the 2022 French presidential election. In line with previous research, we find that deactivating Facebook increases subjective well-being and reduces political knowledge. However, deactivating Facebook had no overall effect on the level of political or social polarization during the election. Moreover, we find little evidence that minimalist informational interventions in a field setting helped individuals who deactivated Facebook to become better informed.