bluuebunny/crossref_metadata_2025 huggingface dataset:
Future Response of Antarctic Continental Shelf Temperatures to Ice Shelf Basal Melting and Calving
Authors: Thomas Max , Ridley Jeff K. , Smith Inga J. , Stevens David P. , Holland Paul R. , Mackie Shona
Published: September 2023

We investigate feedbacks between subsurface continental shelf ocean temperatures and Antarctic glacial melt using a coupled climate model. The model was forced with SSP5‐8.5 and an uncoupled projection of basal melt and calving fluxes. SSP5‐8.5 forcing with fixed pre‐industrial glacial melt warms all continental shelves, such that historically “cool” and “fresh” shelves transition to “warm.” Additional glacial melt, added at depth, cools the Eastern Ross, Amundsen, and Bellingshausen seas, suggesting a negative feedback on basal melt—a novel result for a coarse resolution coupled model. From the Weddell Sea, along East Antarctica, and into the western Ross Sea—where continental shelves transition to a “warm” state—additional glacial melt increases temperatures at the continental shelf sea floor, suggesting a positive feedback. The sign of the glacial melt–subsurface temperature feedback is critically dependent on continental shelf properties, climate state, and the vertical distribution of glacial melt inputs.
Global Projections of Storm Surges Using High‐Resolution CMIP6 Climate Models
Authors: Muis Sanne , Aerts Jeroen C. J. H. , Á. Antolínez José A. , Dullaart Job C. , Duong Trang Minh , Erikson Li , Haarsma Rein J. , Apecechea Maialen Irazoqui , Mengel Matthias , Le Bars Dewi , O’Neill Andrea , Ranasinghe Roshanka , Roberts Malcolm J. , Verlaan Martin , Ward Philip J. , Yan Kun
Published: September 2023

In the coming decades, coastal flooding will become more frequent due to sea‐level rise and potential changes in storms. To produce global storm surge projections from 1950 to 2050, we force the Global Tide and Surge Model with a ∼25‐km resolution climate model ensemble from the Coupled Model Intercomparison Project Phase 6 High Resolution Model Intercomparison Project (HighResMIP). This is the first time that such a high‐resolution ensemble is used to assess changes in future storm surges across the globe. We validate the present epoch (1985–2014) against the ERA5 climate reanalysis, which shows a good overall agreement. However, there is a clear spatial bias with generally a positive bias in coastal areas along semi‐enclosed seas and negative bias in equatorial regions. Comparing the future epoch (2021–2050) against the historical epoch (1951–1980), we project ensemble‐median changes up to 0.1 (or 20%) in the 1 in 10‐year storm surge levels. These changes are not uniform across the globe with decreases along the coast of Mediterranean and northern Africa and southern Australia and increases along the south coast of Australia and Alaska. There are also increases along (parts) of the coasts of northern Caribbean, eastern Africa, China and the Korean peninsula, but with less agreement among the HighResMIP ensemble. Information resulting from this study can be used to inform broad‐scale assessment of coastal impacts under future climate change.
Global Ionosphere Modeling Based on GNSS, Satellite Altimetry, Radio Occultation, and DORIS Data Considering Ionospheric Variation
Authors: Chen Jun , Ren Xiaodong , Yang Pengxin , Xu Guozhen , Huang Liangke , Xiong Si , Zhang Xiaohong
Published: September 2023

The accuracy of ionospheric models estimated by ground‐based multiple global navigation satellite system ionospheric data over regions with sparse tracking stations is not ideal. To improve the accuracy of the estimated ionospheric model, different types of ionospheric data with different combinations were employed for previous studies. However, the ionospheric observational ranges for different types of ionospheric data are not the same. In this study, the accuracy of ionospheric maps generated by ground‐based ionospheric data (ground‐based strategy) and ground‐based ionospheric data combined with data provided by other geodetic measurements normalized by the single‐layer normalization method (multi‐source strategy) were studied. The results showed that the main differences between the ionospheric models estimated by the two strategies occur for data taken over the ocean, which mainly range from −1 to 0 total electron content unit (TECU). When assessed using Jason‐3 vertical total electron content data, the mean root mean square (RMS) value of the ionospheric model estimated by the multi‐source strategy was 5.03 TECU, which is approximately 15% smaller than that estimated by the ground‐based strategy. The maximum reduction in results using the multisource strategy was approximately 25% over different latitudes compared with that of the ground‐based strategy. Furthermore, the self‐consistency evaluation method was employed for evaluation. The results showed that the RMS of the ionospheric model estimated by the multi‐source strategy was 2.41 TECU, which is 3.60% better than that of the ground‐based strategy. The maximum reduction was 15% on different days.
Quantifying the Structure and Extension Rate of the Linfen Basin, Shanxi Rift System Since the Latest Miocene: Implications for Continental Magma‐Poor Rifting
Authors: Su Peng , He Honglin , Liu Yiduo , Shi Feng , Granger Darryl E. , Kirby Eric , Luo Lan , Han Fei , Lu Renqi
Published: September 2023

The formation of magma‐poor continental rifts is an enigmatic process, as the weakening mechanism(s) for cratonic lithosphere remains uncertain in the absence of elevated lithospheric temperature. One view links weakening to melts hidden at depth, while another ascribes it to pre‐existing weaknesses. Long‐term extensional rates also influence lithospheric strength and rift evolution. We target the Linfen Basin (LB) in the magma‐poor Shanxi Rift System (SRS) in the North China Craton to understand these components. We apply cosmogenic 26Al/10Be burial dating on 14 core samples at different depths from three deep boreholes in the basin and obtain six valid burial ages ranging from 2.37+1.18/−1.21 to 5.86+inf/−1.37 Ma. We further re‐interpret a seismic reflection profile and quantify the geometry and amount of extension by forward structural modeling with multiple constraints based on extensional fault‐bend folding theory. The timing of the basal sedimentation is estimated to be ∼6.1 and ∼4.2 Ma in the southern and northern portions, respectively, indicating diachronous, northward‐propagating rifting. The amount and mean rate of extension are ∼3.6 km and ∼0.9 km/Myr, respectively. The basin depths increasing northward indicates the clockwise rotation of the basin. We propose a basin‐scale non‐rigid transtensional bookshelf faulting model to explain the rotation patterns of the circum‐Ordos basins. We argue that the inherited structures weaken the cratonic lithosphere of the SRS, and the low extension rate contributes to its magma‐poor nature. We propose a lithospheric‐scale evolution model for the LB, invoking the inherited crustal weakness, low extension rate, and lower lithosphere counterflow.
Effect of various types of milk on salivary pH among children: a pilot randomized controlled crossover trial
Authors: Zamzam Rouaa , Karkoutly Mawia , Bshara Nada
Published: September 2023

Objective

This study aimed to evaluate salivary pH changes after consuming three types of milk in children aged 3–5 years. The null hypothesis was that no statistically significant difference would be noted in the salivary pH between high-protein, full-fat, and sweetened milk groups at different time points.

Materials and methods

This was a double-blind, pilot randomized controlled crossover trial. 30 Children have undergone three experimental sessions with a 1-week washout period. Each child was given 250 mL of one of the following types of milk: high-protein, full-fat, or sweetened milk. The salivary pH was measured at the baseline (t0) after 5 (t1), 10 (t2), 15 (t3), 30 (t4), and 60 (t5) minutes of milk consumption, using a pH saliva indicator strip.

Results

There is a sharp drop in salivary pH after 5 min of sweetened (P < 0.05) and full-fat milk consumption (p < 0.05). However, the initial drop in the salivary pH was found to remain above the critical level. For the high-protein milk group, salivary pH decreased slightly after 5 min but was similar to that at the baseline (p = 0.573). In the high-protein milk group (p < 0.05), the salivary pH was slightly greater than the baseline value at t5.

Conclusions

The study shows an initial suggestion that milk is a non-cariogenic beverage, even when sugar is added. Furthermore, high-protein milk has a protective effect from dental caries.
Gut barrier defects, intestinal immune hyperactivation and enhanced lipid catabolism drive lethality in NGLY1-deficient Drosophila
Authors: Pandey Ashutosh , Galeone Antonio , Han Seung Yeop , Story Benjamin A. , Consonni Gaia , Mueller William F. , Steinmetz Lars M. , Vaccari Thomas , Jafar-Nejad Hamed
Published: September 2023

Intestinal barrier dysfunction leads to inflammation and associated metabolic changes. However, the relative impact of gut bacteria versus non-bacterial insults on animal health in the context of barrier dysfunction is not well understood. Here, we establish that loss of Drosophila N-glycanase 1 (Pngl) in a specific intestinal cell type leads to gut barrier defects, causing starvation and JNK overactivation. These abnormalities, along with loss of Pngl in enterocytes and fat body, result in Foxo overactivation, leading to hyperactive innate immune response and lipid catabolism and thereby contributing to lethality. Germ-free rearing of Pngl mutants rescued their developmental delay but not lethality. However, raising Pngl mutants on isocaloric, fat-rich diets partially rescued lethality. Our data indicate that Pngl functions in Drosophila larvae to establish the gut barrier, and that the lethality caused by loss of Pngl is primarily mediated through non-bacterial induction of immune and metabolic abnormalities.
Myxobacteria restrain Phytophthora invasion by scavenging thiamine in soybean rhizosphere via outer membrane vesicle-secreted thiaminase I
Authors: Xia Chengyao , Zhao Yuqiang , Zhang Lei , Li Xu , Cheng Yang , Wang Dongming , Xu Changsheng , Qi Mengyi , Wang Jihong , Guo Xiangrui , Ye Xianfeng , Huang Yan , Shen Danyu , Dou Daolong , Cao Hui , Li Zhoukun , Cui Zhongli
Published: September 2023

Public metabolites such as vitamins play critical roles in maintaining the ecological functions of microbial community. However, the biochemical and physiological bases for fine-tuning of public metabolites in the microbiome remain poorly understood. Here, we examine the interactions between myxobacteria andPhytophthora sojae, an oomycete pathogen of soybean. We find that host plant and soil microbes complementP. sojae’s auxotrophy for thiamine. Whereas, myxobacteria inhibitsPhytophthoragrowth by a thiaminase I CcThi1 secreted into extracellular environment via outer membrane vesicles (OMVs). CcThi1 scavenges the required thiamine and thus arrests the thiamine sharing behavior ofP. sojaefrom the supplier, which interferes with amino acid metabolism and expression of pathogenic effectors, probably leading to impairment ofP. sojaegrowth and pathogenicity. Moreover, myxobacteria and CcThi1 are highly effective in regulating the thiamine levels in soil, which is correlated with the incidence of soybeanPhytophthoraroot rot. Our findings unravel a novel ecological tactic employed by myxobacteria to maintain the interspecific equilibrium in soil microbial community.
Quantifying the causal impact of biological risk factors on healthcare costs
Authors: Lee Jiwoo , Jukarainen Sakari , Karvanen Antti , Dixon Padraig , Davies Neil M. , Smith George Davey , Natarajan Pradeep , Ganna Andrea
Published: September 2023

Understanding the causal impact that clinical risk factors have on healthcare-related costs is critical to evaluate healthcare interventions. Here, we used a genetically-informed design, Mendelian Randomization (MR), to infer the causal impact of 15 risk factors on annual total healthcare costs. We calculated healthcare costs for 373,160 participants from the FinnGen Study and replicated our results in 323,774 individuals from the United Kingdom and Netherlands. Robust causal effects were observed for waist circumference (WC), adult body mass index, and systolic blood pressure, in which a standard deviation increase corresponded to 22.78% [95% CI: 18.75-26.95], 13.64% [10.26-17.12], and 13.08% [8.84-17.48] increased healthcare costs, respectively. A lack of causal effects was observed for certain clinically relevant biomarkers, such as albumin, C-reactive protein, and vitamin D. Our results indicated that increased WC is a major contributor to annual total healthcare costs and more attention may be given to WC screening, surveillance, and mitigation.
Plasmodium ARK2 and EB1 drive unconventional spindle dynamics, during chromosome segregation in sexual transmission stages
Authors: Zeeshan Mohammad , Rea Edward , Abel Steven , Vukušić Kruno , Markus Robert , Brady Declan , Eze Antonius , Rashpa Ravish , Balestra Aurelia C. , Bottrill Andrew R. , Brochet Mathieu , Guttery David S. , Tolić Iva M. , Holder Anthony A. , Le Roch Karine G. , Tromer Eelco C. , Tewari Rita
Published: September 2023

The Aurora family of kinases orchestrates chromosome segregation and cytokinesis during cell division, with precise spatiotemporal regulation of its catalytic activities by distinct protein scaffolds. Plasmodium spp., the causative agents of malaria, are unicellular eukaryotes with three unique and highly divergent aurora-related kinases (ARK1-3) that are essential for asexual cellular proliferation but lack most canonical scaffolds/activators. Here we investigate the role of ARK2 during sexual proliferation of the rodent malaria Plasmodium berghei, using a combination of super-resolution microscopy, mass spectrometry, and live-cell fluorescence imaging. We find that ARK2 is primarily located at spindle microtubules in the vicinity of kinetochores during both mitosis and meiosis. Interactomic and co-localisation studies reveal several putative ARK2-associated interactors including the microtubule-interacting protein EB1, together with MISFIT and Myosin-K, but no conserved eukaryotic scaffold proteins. Gene function studies indicate that ARK2 and EB1 are complementary in driving endomitotic division and thereby parasite transmission through the mosquito. This discovery underlines the flexibility of molecular networks to rewire and drive unconventional mechanisms of chromosome segregation in the malaria parasite.
Fast viral dynamics revealed by microsecond time-resolved cryo-EM
Authors: Harder Oliver F. , Barrass Sarah V. , Drabbels Marcel , Lorenz Ulrich J.
Published: September 2023

Observing proteins as they perform their tasks has largely remained elusive, which has left our understanding of protein function fundamentally incomplete. To enable such observations, we have recently proposed a technique that improves the time resolution of cryo-electron microscopy (cryo-EM) to microseconds. Here, we demonstrate that microsecond time-resolved cryo-EM enables observations of fast protein dynamics. We use our approach to elucidate the mechanics of the capsid of cowpea chlorotic mottle virus (CCMV), whose large-amplitude motions play a crucial role in the viral life cycle. We observe that a pH jump causes the extended configuration of the capsid to contract on the microsecond timescale. While this is a concerted process, the motions of the capsid proteins involve different timescales, leading to a curved reaction path. It is difficult to conceive how such a detailed picture of the dynamics could have been obtained with any other method, which highlights the potential of our technique. Crucially, our experiments pave the way for microsecond time-resolved cryo-EM to be applied to a broad range of protein dynamics that previously could not have been observed. This promises to fundamentally advance our understanding of protein function.
Effects and safety of virtual reality-based mindfulness in patients with psychosis: a randomized controlled pilot study
Authors: Lee Bo Mi , Kim Sung-Wan , Lee Bong Ju , Won Seung-Hee , Park Yong-han , Kang Chae Yeong , Li Ling , Rami Fatima Zahra , Chung Young-Chul
Published: September 2023

Virtual reality (VR) technology can be a supporting tool to enhance mindfulness. Recently, many research using VR-based mindfulness (VBM) has been carried out in various psychiatric disorders but not in psychosis. We investigated safety and effects of virtual reality-based mindfulness (VBM) in patients with psychosis as a pilot study. Sixty-four patients were randomly assigned to VBM or to VR control. For VBM, education and meditation videos were provided. For VR control, 3-dimensional natural scenes were shown. Both programs consisted of 8 weekly sessions, each lasting about 30 min. Pre- and post-assessments were performed using the experiences questionnaire (EQ), psychotic symptom rating scales-delusion (PSYRATS-D), PSYRATS-auditory hallucinations (AH), motivation and pleasure scale-self rating (MAP-SR) and etc. The safety questionnaire was also surveyed after 1st and 8th session. Physiological measures such as skin conductance level (SCL), heart rate (HR) and RR interval, were collected during the VR interventions. Limited individuals participated in the safety questionnaire and physiological measures. All the results were presented in mean and standard deviation. We did not observe significant results in group x time interaction and main effects of group and time in the decentering and clinical scales. However, within group comparison showed that patients randomized to VBM showed increased decentering (p = 0.029) and decreased amount (p = 0.032) and duration of preoccupation (p = 0.016) in the PSYRATS-D. For the feelings and motivations about close caring relationships of the MAP-SR, we observed a significant group x time interaction (p = 0.027). The frequency of VR sickness was high but its severity was mild. There were significant differences only in HR over time in the VBM group (p = 0.01). These results suggest that VBM was not more effective in reducing decentering and psychiatric symptoms than VR control but its adversity was modest.
Nudging parents and teachers to improve learning and reduce child labor in Cote d’Ivoire
Authors: Wolf Sharon , Lichand Guilherme
Published: September 2023

Whether SMS-based nudge interventions can increase parent engagement and improve child learning outcomes across diverse contexts such as rural West Africa is unknown. We conducted a school-randomized trial to test the impacts of an audio or text-message intervention (two messages per week for one school year) to parents and teachers of second and fourth grade students (N = 100 schools, 2246 students) in Cote d’Ivoire. Schools were randomly assigned to have messages sent to (i) parents only, (ii) teachers only, (iii) parents and teachers together, or (iv) control. There were statistically non-significant impacts of the parents-only treatment on learning, although with typical effect sizes (d = 0.08, p = 0.158), and marginally statistically significant increases in child labor (d = 0.11, p < 0.10). We find no impacts of the other treatment conditions. Subgroup analyses based on pre-registered subgroups show significantly larger improvements in learning for children with below-median baseline learning levels for the parents-only arm and negative impacts on learning for girls for the teachers-only arm, suggesting different conclusions regarding impacts on equity for vulnerable children.
Prevalence of anxiety, depression, mania, insomnia, stress, suicidal ideation, psychotic experiences, & loneliness in UK university students
Authors: Akram Umair , Irvine Kamila , Gardani Maria , Allen Sarah , Akram Asha , Stevenson Jodie C.
Published: September 2023

Despite existing wellbeing services, university students remain particularly vulnerable to mental health difficulties. Therefore, this study was designed to provide a comprehensive assessment of the prevalence of psychiatric symptoms by using well validated scales with robust psychometric properties. More specifically, the current data provides crucial information concerning the prevalence of anxiety, depression, mania, insomnia, stress, suicidal ideation, psychotic experiences and loneliness amongst a sample of N = 1408 UK university students. A cross-sectional online questionnaire-based study was implemented. Online recruitment for this dataset began on September 17th, 2018, and ended on the 30th July 2019. Eight validated measures were used: Generalized Anxiety Disorder Scale; Patient Health Questionnaire; The Mood Disorder Questionnaire; The Sleep Condition Indicator; The Perceived Stress Scale; Suicidal Behaviours Questionnaire-Revised; The Prodromal Questionnaire 16 (PQ-16); and the University of California Loneliness Scale. The dataset is available to other researchers and is provided on figshare. Information concerning the data records, usage notes, code availability and technical validation are presented. Finally, we present demographic information concerning psychiatric symptom prevalence.
Deep residual-dense network based on bidirectional recurrent neural network for atrial fibrillation detection
Authors: Laghari Asif Ali , Sun Yanqiu , Alhussein Musaed , Aurangzeb Khursheed , Anwar Muhammad Shahid , Rashid Mamoon
Published: September 2023

Atrial fibrillation easily leads to stroke, cerebral infarction and other complications, which will seriously harm the life and health of patients. Traditional deep learning methods have weak anti-interference and generalization ability. Therefore, we propose a new-fashioned deep residual-dense network via bidirectional recurrent neural network (RNN) model for atrial fibrillation detection. The combination of one-dimensional dense residual network and bidirectional RNN for atrial fibrillation detection simplifies the tedious feature extraction steps, and constructs the end-to-end neural network to achieve atrial fibrillation detection through data feature learning. Meanwhile, the attention mechanism is utilized to fuse the different features and extract the high-value information. The accuracy of the experimental results is 97.72%, the sensitivity and specificity are 93.09% and 98.71%, respectively compared with other methods.
A novel GBDT-BiLSTM hybrid model on improving day-ahead photovoltaic prediction
Authors: Wang Senyao , Ma Jin
Published: September 2023

Despite being a clean and renewable energy source, photovoltaic (PV) power generation faces severe challenges in operation due to its strong intermittency and volatility compared to the traditional fossil fuel power generation. Accurate predictions are therefore crucial for PV’s grid connections and the system security. The existing methods often rely heavily on weather forecasts, the accuracy of which is hard to be guaranteed. This paper proposes a novel GBDT-BiLSTM day-ahead PV forecasting model, which leverages the Teacher Forcing mechanism to combine the strong time-series processing capabilities of BiLSTM with an enhanced GBDT model. Given the uncertainty and volatility inherent in solar energy and weather conditions, the gradient boosting method is employed to update the weak learner, while a decision tree is incorporated to update the strong learner. Additionally, to explore the correlation between photovoltaic power output and historical time-series data, the adaptive gradient descent-based Adam algorithm is utilized to train the bidirectional LSTM model, enhancing the accuracy and stability of mid- to long-term time-series predictions. A prediction experiment, conducting with the real data from a PV power station in Sichuan Province, China, was compared with other methods to verify the model’s effectiveness and robustness.
Influence of Helicobacter pylori infection on risk of rheumatoid arthritis: a nationwide population-based study
Authors: Lee Tzu-Hsuan , Wu Meng-Che , Lee Ming-Hung , Liao Pei-Lun , Lin Chieh-Chung , Wei James Cheng-Chung
Published: September 2023

The relationship between Helicobacter pylori infection and rheumatoid arthritis has been investigated, but the results remain controversial. This study aims to determine the association between the two diseases via a 17-year retrospective cohort study. Using the National Health Insurance Research Database, a nationwide population based in Taiwan, we identified 97,533 individuals with H. pylori infection and matched controls between 2000 and 2017 using propensity score matching at a 1:1 ratio. The adjusted hazard ratio of rheumatoid arthritis was determined by multiple Cox regression. The incidence rate of rheumatoid arthritis was 1.28 per 10,000 person-months in the H. pylori cohort, with a higher risk compared to the control group. In the < 30 years old subgroup, the risk was highest, especially in women < 30 years old with H. pylori infection. Patients with < 1 year follow-up showed 1.58 times higher susceptibility to rheumatoid arthritis. Individuals with follow-ups of 1–5 years and over 5 years demonstrated 1.43 and 1.44 times higher risks of rheumatoid arthritis, respectively. Our study showed H. pylori infection was associated with the development of rheumatoid arthritis. Clinicians should note higher risk, especially < 30 years old. More research needed to understand underlying mechanism.
Meat hygiene knowledge, handling practices and associated factors among meat handlers in Gedeo zone, Ethiopia
Authors: Ashuro Zemachu , Zeysse Nathnael , Ayalew Mulugeta
Published: September 2023

A cross-sectional study was conducted among 239 randomly selected meat handlers working in butcher shop in southern Ethiopia to assess factors associated with meat hygiene knowledge and practices. A binary logistic regression analysis with a 95% confidence interval (CI) and a p-value < 0.05 was used to identify factors that were significantly associated with good level of meat hygiene knowledge and practices. The findings revealed that 38.5% [95% CI: 32.2–44.8%] and 25.1% [95% CI: 19.7–30.5%] of meat handlers have good levels of meat hygiene knowledge and practices, respectively. Good level of meat hygiene knowledge was significantly (p < 0.05) associated with educational level, having meat hygiene training, and having regular supportive supervision by health workers, whereas good level of meat handling practice was significantly associated with work experience, educational level, have regular supportive supervision by health professionals, and having meat hygiene training. In conclusion, the majority of meat handlers have poor knowledge and practices regarding meat hygiene among meat handlers. Educational level, meat hygiene training, and supportive supervision by a health professionals were all independent predictors of meat hygiene knowledge and practice among meat handlers. As a result, health professionals should give regular training, butcher shop inspections, and supportive supervision for meat handlers in order to improve meat hygiene knowledge and practices among meat handlers.
Factors predicting willingness to quit snus and cigarette use among young males
Authors: Danielsson Maria , Lammi Anelma , Siitonen Simo , Ollgren Jukka , Pylkkänen Liisa , Vasankari Tuula
Published: September 2023

The health hazards of smoking are well recognised and recently knowledge about the harmful effects of nicotine and snus is accumulating. We investigated the factors increasing the willingness of young Finnish males to quit snus and cigarette smoking. We conducted a questionnaire study conducted in 3 out of 16 Finnish Defence Forces units which included 6508 male conscripts, of whom 4706 responded (response rate 72%, mean age 19.4 years). Factors related to the willingness to quit use were analysed by ordinal regression models. Backward selection following the Akaike information criterion (AIC) was used for the model. The prevalence figures of daily snus use and smoking were 17% and 25%, respectively. 16% of the daily snus users were also daily smokers and 29% were occasional smokers. Multivariate analysis showed that the willingness to quit snus use was associated with the perception of health hazards (OR 3.09, 95% CI 1.94–4.93) and with ≥ 2 quit attempts (OR 3.63, 95% CI 2.44–5.40). The willingness to quit smoking was associated with ≥ 2 quit attempts (OR 3.22, 95% CI 2.32–4.49), and with advice to quit smoking (OR 1.65, 95% CI 1.17–2.32). We created a brief two-question assessment model for snus dependence. With this model, nicotine dependence of daily snus users was congruent with that of nicotine dependence of smokers. A direct comparison with serum cotinine levels is necessary before our assessment model can be used as a proxy for dependence. Regular snus use predisposes to nicotine addiction and accumulated health hazards. Our findings underscore the importance of health promotion efforts in early adolescence and of active support for quitting snus use. Easily applicable tools to estimate nicotine addiction are needed for everyday clinical use.
Assessing the environmental destruction in forest ecosystems using landscape metrics and spatial analysis
Authors: Mansori M. , Badehian Z. , Ghobadi M. , Maleknia R.
Published: September 2023

Forest degradation is a serious environmental issue that has significant implications for ecological stability, biodiversity, and human well-being. Identifying the extent and severity of forest degradation is crucial for effective management and conservation of forest ecosystems. The objective of this study was to assess the ecological vulnerability of the forest in the Dadabad region using spatial analysis and landscape metrics. The land cover map of the area was divided into 13 sub-basins to quantify landscape metrics, and the severity of human activities, degradation level, and ecological vulnerability were calculated for each sub-basin. Each sub-basin was evaluated as a single landscape to determine the extent of degradation, and landscape zoning was performed based on the degradation coefficients. The study found that sub-basins 2 and 4 had the highest levels of degradation, while sub-basins 3, 7, 8, 11, and 12 were the least degraded. Over half of the Dadabad region, 37.8% for protection and 32.25% for rehabilitation, was recommended for conservation planning. The research highlights the importance of using spatial analysis of landscape metrics to assist managers and planners in protecting and conserving natural areas.
Combined analysis of 16S rDNA sequencing and metabolomics to find biomarkers of drug-induced liver injury
Authors: He Kaini , Liu Mimi , Wang Qian , Chen Sijie , Guo Xiaoyan
Published: September 2023

Drug induced liver injury (DILI) is a kind of liver dysfunction which caused by drugs, and gut microbiota could affect liver injury. However, the relationship between gut microbiota and its metabolites in DILI patients is not clear. The total gut microbiota DNA was extracted from 28 DILI patient and 28 healthy control volunteers (HC) and 16S rDNA gene were amplified. Next, differentially metabolites were screened. Finally, the correlations between the diagnostic strains and differentially metabolites were studied.The richness and uniformity of the bacterial communities decreased in DILI patients, and the structure of gut microbiota changed obviously. Enterococcus and Veillonella which belong to Firmicutes increased in DILI, and Blautia and Ralstonia which belong to Firmicutes, Dialister which belongs to Proteobacteria increased in HC. In addition, these diagnostic OTUs of DILI were associated with the DILI damage mechanism. On the other hands, there were 66 differentially metabolites between DILI and HC samples, and these metabolites were mainly enriched in pyrimidine metabolism and steroid hormone biosynthesis pathways. Furthermore, the collinear network map of the key microbiota-metabolites were constructed and the results indicated that Cortodoxone, Prostaglandin I1, Bioyclo Prostaglandin E2 and Anacardic acid were positively correlated with Blautia and Ralstonia, and negatively correlated with Veillonella.This study analyzed the changes of DILI from the perspective of gut microbiota and metabolites. Key strains and differentially metabolites of DILI were screened and the correlations between them were studied. This study further illustrated the mechanism of DILI.
Mathematical modeling and topological graph description of dominating David derived networks based on edge partitions
Authors: Zaman Shahid , Ahmed Wakeel , Sakeena Atash , Rasool Kavi Bahri , Ashebo Mamo Abebe
Published: September 2023

Chemical graph theory is a well-established discipline within chemistry that employs discrete mathematics to represent the physical and biological characteristics of chemical substances. In the realm of chemical compounds, graph theory-based topological indices are commonly employed to depict their geometric structure. The main aim of this paper is to investigate the degree-based topological indices of dominating David derived networks (DDDN) and assess their effectiveness. DDDNs are widely used in analyzing the structural and functional characteristics of complex networks in various fields such as biology, social sciences, and computer science. We considered the FN*, $${M}_{2}^{*}$$

M

2

∗

, and $${HM}_{N}$$

HM

N

topological indices for DDDNs. Our computations' findings provide a clear understanding of the topology of networks that have received limited study. These computed indices exhibit a high level of accuracy when applied to the investigation of QSPRs and QSARs, as they demonstrate the strongest correlation with the acentric factor and entropy.
Graphene versus concentrated aqueous electrolytes: the role of the electrochemical double layer in determining the screening length of an electrolyte
Authors: Angizi Shayan , Hong Lea , Huang Xianxuan , Selvaganapathy P. Ravi , Kruse Peter
Published: September 2023

Understanding the performance of graphene devices in contact with highly concentrated aqueous electrolytes is key to integrating graphene into next-generation devices operating in sea water environments, biosensors, and high-density energy production/storage units. Despite significant efforts toward interpreting the structure of the electrochemical double layer at high concentrations, the interface between graphene-based materials and concentrated aqueous solutions has remained vaguely described. In this study, we demonstrate the use of graphene-based chemiresistors as a technique to indirectly quantify the experimental screening length of concentrated electrolytes that could clarify the interpretation of electrochemical measurements conducted at low ionic strength. We report a breakdown of the Debye–Hückel theory in the proximity of graphene surfaces at lower concentrations (10–50 mM) than previously reported for other systems, depending on cation size, dissolved oxygen concentration, and degree of graphene defectivity.
Disrupting iron homeostasis can potentiate colistin activity and overcome colistin resistance mechanisms in Gram-Negative Bacteria
Authors: Gadar Kavita , de Dios Rubén , Kadeřábková Nikol , Prescott Thomas A. K. , Mavridou Despoina A. I. , McCarthy Ronan R.
Published: September 2023

Acinetobacter baumannii is a Gram-negative priority pathogen that can readily overcome antibiotic treatment through a range of intrinsic and acquired resistance mechanisms. Treatment of carbapenem-resistant A. baumannii largely relies on the use of colistin in cases where other treatment options have been exhausted. However, the emergence of resistance against this last-line drug has significantly increased amongst clinical strains. In this study, we identify the phytochemical kaempferol as a potentiator of colistin activity. When administered singularly, kaempferol has no effect on growth but does impact biofilm formation. Nonetheless, co-administration of kaempferol with sub-inhibitory concentrations of colistin exposes bacteria to a metabolic Achilles heel, whereby kaempferol-induced dysregulation of iron homeostasis leads to bacterial killing. We demonstrate that this effect is due to the disruption of Fenton’s reaction, and therefore to a lethal build-up of toxic reactive oxygen species in the cell. Furthermore, we show that this vulnerability can be exploited to overcome both intrinsic and acquired colistin resistance in clinical strains of A. baumannii and E. coli in vitro and in the Galleria mellonella model of infection. Overall, our findings provide a proof-of-principle demonstration that targeting iron homeostasis is a promising strategy for enhancing the efficacy of colistin and overcoming colistin-resistant infections.
An automatic speech analytics program for digital assessment of stress burden and psychosocial health
Authors: Chu Amanda M. Y. , Lam Benson S. Y. , Tsang Jenny T. Y. , Tiwari Agnes , Yuk Helina , Chan Jacky N. L. , So Mike K. P.
Published: September 2023

The stress burden generated from family caregiving makes caregivers particularly prone to developing psychosocial health issues; however, with early diagnosis and intervention, disease progression and long-term disability can be prevented. We developed an automatic speech analytics program (ASAP) for the detection of psychosocial health issues based on clients’ speech. One hundred Cantonese-speaking family caregivers were recruited with the results suggesting that the ASAP can identify family caregivers with low or high stress burden levels with an accuracy rate of 72%. The findings indicate that digital health technology can be used to assist in the psychosocial health assessment. While the conventional method requires rigorous assessments by specialists with multiple rounds of questioning, the ASAP can provide a cost-effective and immediate initial assessment to identify high levels of stress among family caregivers so they can be referred to social workers and healthcare professionals for further assessments and treatments.
Integration of semi-empirical MS/MS library with characteristic features for the annotation of novel amino acid-conjugated bile acids
Authors: Ma Yan , Cao Yang , Song Xiaocui , Xu Weichen , Luo Zichen , Shan Jinjun , Zhou Jingjie
Published: September 2023

Annotation of common and new amino acid-conjugated bile acids from LC-MS/MS data is achieved by an automatic workflow using a semi-empirical MS/MS library in negative ESI mode and characteristic fragments in positive ESI mode.
Progress of cell membrane-derived biomimetic nanovesicles for cancer phototherapy
Authors: Raza Faisal , Zafar Hajra , Jiang Liangdi , Su Jing , Yuan Weien , Qiu Mingfeng , Paiva-Santos Ana Cláudia
Published: September 2023

Schematic representation of cell-derived biomimetic nanovesicles for cancer phototherapy.
Flower-like porous BCN assembled by nanosheets for paclitaxel delivery
Authors: Wang Haiyan , Wang Congling , Deng Yuxian , Han Yuxin , Xiang Shuo , Xiao Hanning , Weng Qunhong
Published: September 2023

Flower-like porous boron carbon nitride (ZBCN) nanomaterials assembled by BCN nanosheets exhibit high specific surface area, abundant macropores and stable photoluminescence, resulting in excellent anticancer PTX loading and delivery performances.
Highly phosphorescent carbene–metal–carboranyl complexes of copper(i) and gold(i)
Authors: Powley Samuel L. , Riley Charlotte , Cho Hwan-Hee , Le Phuoc Nguyen , Linnolahti Mikko , Greenham Neil , Romanov Alexander S.
Published: September 2023

Phosphorescent “carbene–metal–carboranyl” (CMC) complexes of copper(i) and gold(i) with radiative rate 3.4 × 105 s−1 enable blue organic light emitting diodes.
Binding modes of high stoichiometry guest complexes with a Co8L12 cage uncovered by mass spectrometry
Authors: Stares Daniel L. , Mozaceanu Cristina , Ward Michael D. , Schalley Christoph A.
Published: September 2023

Internal and external binding modes of guests with a Co8L12 cage were uncovered by mass spectrometry.
Theoretical study on intra-molecule interactions in TKX-50
Authors: Yang Chunhai , Li Xue , Zhou Ning , Dong Huilong , Hu Xiuli , Jin Junxun , Huang Tao , Wang Jinhui
Published: September 2023

Like the meridians of the human body, compounds also have their own meridians, namely weak interactions within the molecular structure, so what about the meridians of TKX-50?
A local point of view of the Cu(100) → NiTPP charge transfer at the NiTPP/Cu(100) interface
Authors: Carlotto Silvia , Verdini Alberto , Zamborlini Giovanni , Cojocariu Iulia , Feyer Vitaliy , Floreano Luca , Casarin Maurizio
Published: September 2023

The chemisorption site of NiTPP on Cu(100) has been determined by combining symmetry considerations with photoelectron diffraction. The Ni(ii)→Ni(i) reduction at the interface rules the adsorption sites and the NiTPP orientation on the substrate.
Highly active and stable oxygen vacancies via sulfur modification for efficient catalysis in lithium–sulfur batteries
Authors: Zhao Chenghao , Jiang Bo , Huang Yang , Sun Xun , Wang Ming , Zhang Yu , Zhang Naiqing
Published: September 2023

Sulfur modification stabilizes oxygen vacancies at the surface through an “anchor vacancies” method and aids in accelerating the conversion of lithium polysulfides, thereby enhancing both the activity and stability of lithium–sulfur catalysts.
A self-circulating pathway for the oxygen evolution reaction
Authors: Deng Bohan , Yu Guangqiang , Zhao Wei , Long Yuanzheng , Yang Cheng , Du Peng , He Xian , Zhang Zhuting , Huang Kai , Li Xibo , Wu Hui
Published: September 2023

The self-circulation between Ni(OH)2 and NiOOH during water oxidation significantly lowers the overpotential of the oxygen evolution reaction (OER).
Simultaneous reduction of arsenic and lead bioaccumulation in rice (Oryza sativa L.) by nano-TiO2: a mechanistic study
Authors: Wu Xinyi , Jia Wenyi , Hu Jing , Yu Xuefeng , Yan Chuanhao , White Jason C. , Liu Junfeng , Yang Yu , Wang Xilong
Published: September 2023

Heavy metals with opposite charges generally have opposite environmental behaviors. Nano-TiO2 concurrently reduces arsenic and lead pollution in rice, while rutile nano-TiO2 exhibits better arsenic mitigation ability than its anatase counterpart.
Transcriptomics and metabolomics reveal the mechanisms of enhanced constitutive resistance in rice (Oryza Sativa L.) by silica nanomaterials
Authors: Wang Jing , Cao Xuesong , Wang Chuanxi , Xiao Zhenggao , Chen Feiran , Feng Yan , Yue Le , Wang Zhenyu , Xing Baoshan
Published: September 2023

Silica NMs promoted physical (trichomes, dumbbell-shaped silica cells, and lignin content) and chemical barriers (total phenolics and proline) against pathogen and insects by triggering jasmonic acid and salicylic acid pathways in rice.
A Zn-doped Fe3O4 nanoparticle@N, S and P doped Elaeagnus angustifolia gum derived carbon hybrid electrocatalyst: synthesis, characterization and electrochemical sensing of acetaminophen
Authors: Mamat Xamxikamar , Gao Zehong , Chen Longyi
Published: September 2023

A novel Zn-doped Fe3O4 nanoparticle@N, S and P doped Elaeagnus angustifolia gum derived carbon hybrid electrocatalyst was prepared, characterized and applied for electrochemical sensing of acetaminophen covering urinary physiological concentration.
Factors influencing the catalytic activity of metal-dependent histidine-rich peptides: sequence, conformation, stereochemistry, self-assembly or their interplay?
Authors: Janković Patrizia , Babić Marko , Perčić Marko , Pina Ana S. , Kalafatovic Daniela
Published: September 2023

Understanding how sequence modification, self-assembly, stereochemistry and affinity for zinc ions contribute to catalytic function of histidine-rich metal-dependent peptides.
Negative differential resistance based on phase transformation
Authors: Harumoto Takashi , Fujiki Hiroyuki , Shi Ji , Nakamura Yoshio , Sutou Yuji
Published: September 2023

A novel mechanism to induce negative differential resistance is proposed and experimentally demonstrated using a prototype device consisting of metal-hydride.
Ultrathin hierarchical hydrogel–carbon nanocomposite for highly stretchable fast-response water-proof wearable humidity sensors
Authors: Pan Bingqi , Su Peipei , Jin Minghui , Huang Xiaocheng , Wang Zhenbo , Zhang Ruhao , Xu He , Liu Wenna , Ye Yumin
Published: September 2023

A highly stretchable humidity sensor was made from ultrathin hydrogel–carbon nanocomposite with a hierarchical surface architecture, which enables sensor fast response/recovery, good durability, and real-time respiration and skin humidity monitoring.
Supramolecular peptide nanotubes as artificial enzymes for catalysing ester hydrolysis
Authors: Song Qiao , Cheng Zihe , Perrier Sébastien
Published: September 2023

Histidine-containing cyclic peptide-based supramolecular peptide nanotubes were constructed to function as artificial enzymes for catalysing ester hydrolysis.
A highly connected metal–organic framework with a specific nonpolar nanotrap for inverse ethane/ethylene separation
Authors: Pang Jing-Jing , Ma Zhi-Han , Yang Qiang-Qiang , Zhang Kuo , Lian Xin , Huang Hongliang , Yao Zhao-Quan , Li Baiyan , Xu Jian , Bu Xian-He
Published: September 2023

A highly connected Tb-MOF possessing a specific nanotrap enriched with nonpolar aromatic rings shows an excellent inverse adsorption of C2H6 over C2H4 for one-step C2H4 purification.
Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction
Authors: Lee Ming-Yi , Liao Chih-Hsiang , Hung Hsiu-Yu , Lee Jhen-Yi , Lee Hon Man
Published: September 2023

Palladium(0) NHC complexes, obtained from nitron and its derivatives, exhibited high efficacy in catalyzing the Mizoroki–Heck coupling reaction involving aryl chlorides.
Children's emergent mechanistic reasoning in chemistry: a case study about early primary students’ reasoning about the phenomenon of thermal expansion of air
Authors: Berg Astrid , Hultén Magnus
Published: September 2023

The importance of introducing students to mechanistic reasoning (MR) early in their schooling is emphasised in research. The goal of this case study was to contribute with knowledge on how early primary students’ (9–10 year-olds) MR in chemistry is expressed and developed in a classroom practice framed by model-based inquiry. The study focuses on the first lesson in a sequence of six that was developed as part of a design study. The teaching was designed to ensure student agency and create conditions for the students to develop, test, and evaluate simple particle models in interaction with observations cooperatively and under teacher guidance. During the lesson, students were encouraged to express their tentative explanatory models in drawing and writing, and to act as molecules to dramatize the expansion of air. A mechanistic reasoning framework based on the characterisation of system components (entities, properties, activities, organisation) was developed and used to analyse children's mechanistic reasoning. The framework included multimodal analysis of communication (speech, gestures, writing, drawing, bodily motion) and evaluation of student reasoning based on e.g., the presence of gaps in terms of explanatory black boxes or missing pieces. The results show that: (1) In model-based inquiry, young children can navigate across different representational levels in their reasoning and engage in MR; (2) children's black-boxing can be seen as an indication of epistemic work in the process of model-based inquiry; and (3) asking students to engage in multiple modes of representations support the development of student MR in model-based inquiry.
Generative organic electronic molecular design informed by quantum chemistry
Authors: Li Cheng-Han , Tabor Daniel P.
Published: September 2023

Reinforcement learning methods, coupled with quantum chemistry, discover a diverse set of organic singlet fission and triplet–triplet annihilation candidates.
The challenge of balancing model sensitivity and robustness in predicting yields: a benchmarking study of amide coupling reactions
Authors: Liu Zhen , Moroz Yurii S. , Isayev Olexandr
Published: September 2023

A sensitive model captures the reactivity cliffs but overfit to yield outliers. On the other hand, a robust model disregards the yield outliers but underfits the reactivity cliffs.