bluuebunny/crossref_metadata_2025 huggingface dataset:
Allele frequency of pathogenic variants causing acid sphingomyelinase deficiency and Gaucher disease in the general Japanese population
Authors: Sako Shuhei , Oishi Kimihiko , Ida Hiroyuki , Imagawa Eri
Published: June 2024

Acid sphingomyelinase deficiency (ASMD) and Gaucher disease (GD) are lysosomal storage disorders associated with hepatosplenomegaly and thrombocytopenia. The incidences of ASMD and GD are known to be particularly high in the Ashkenazi Jewish population. Conversely, the number of reported patients with these diseases has been limited in Asian countries, including Japan. Here, we reviewed the allele frequencies of pathogenic variants causing ASMD and GD in the Japanese population and populations with various ancestry backgrounds using the Japanese Multi-Omics Reference Panel 54KJPN and the Genome Aggregation Database v4.0.0. The estimated carrier frequencies of ASMD- and GD-related variants were 1/180 and 1/154 in Japanese individuals, equivalent to disease occurrence frequencies of 1/128,191 and 1/94,791 individuals, respectively. These frequencies are much higher than previously expected. Our data also suggest that there are more patients with a milder form of ASMD and nonspecific clinical findings who have not yet been diagnosed.
Multispecies-coadsorption-induced rapid preparation of graphene glass fiber fabric and applications in flexible pressure sensor
Authors: Wang Kun , Sun Xiucai , Cheng Shuting , Cheng Yi , Huang Kewen , Liu Ruojuan , Yuan Hao , Li Wenjuan , Liang Fushun , Yang Yuyao , Yang Fan , Zheng Kangyi , Liang Zhiwei , Tu Ce , Liu Mengxiong , Ma Mingyang , Ge Yunsong , Jian Muqiang , Yin Wanjian , Qi Yue , Liu Zhongfan
Published: June 2024

Direct chemical vapor deposition (CVD) growth of graphene on dielectric/insulating materials is a promising strategy for subsequent transfer-free applications of graphene. However, graphene growth on noncatalytic substrates is faced with thorny issues, especially the limited growth rate, which severely hinders mass production and practical applications. Herein, graphene glass fiber fabric (GGFF) is developed by graphene CVD growth on glass fiber fabric. Dichloromethane is applied as a carbon precursor to accelerate graphene growth, which has a low decomposition energy barrier, and more importantly, the produced high-electronegativity Cl radical can enhance adsorption of active carbon species by Cl–CH2 coadsorption and facilitate H detachment from graphene edges. Consequently, the growth rate is increased by ~3 orders of magnitude and carbon utilization by ~960-fold, compared with conventional methane precursor. The advantageous hierarchical conductive configuration of lightweight, flexible GGFF makes it an ultrasensitive pressure sensor for human motion and physiological monitoring, such as pulse and vocal signals.
Direct production of low-oxygen-concentration titanium from molten titanium
Authors: Okabe Toru H. , Kamimura Gen , Ikeda Takashi , Ouchi Takanari
Published: June 2024

Titanium (Ti) is an attractive material, abundant in nature and possessing superior mechanical and chemical properties. However, its widespread use is significantly hampered by the strong affinity between titanium and oxygen (O), resulting in elevated manufacturing costs during the refining, melting, and casting processes. The current work introduces a high-throughput technique that effectively reduces the oxygen content in molten titanium to a level suitable for structural material applications (1000 mass ppm, equivalent to 0.1 mass%). This technique aspires to streamline the mass production of titanium by seamlessly integrating the refining, melting, and casting processes. The developed method leverages the high affinity of rare-earth metals, such as yttrium (Y), for oxygen. This method utilizes the formation reaction of their oxyhalides (YOF) to directly remove oxygen from liquid titanium, resulting in titanium with a significantly reduced oxygen content of 200 mass ppm. This technique enables the direct conversion of titanium oxide feeds into low-oxygen titanium without requiring conversion into intermediate compounds. Additionally, this process offers a pathway for the upgrade recycling of high-oxygen-content titanium scrap directly into low-oxygen titanium. Consequently, this technology holds the potential to dramatically lower titanium production costs, thereby facilitating its more widespread utilization.
Ferroptosis induction in host rice by endophyte OsiSh-2 is necessary for mutualism and disease resistance in symbiosis
Authors: Xiong Xianqiu , Zeng Jing , Ning Qing , Liu Heqin , Bu Zhigang , Zhang Xuan , Zeng Jiarui , Zhuo Rui , Cui Kunpeng , Qin Ziwei , Gao Yan , Liu Xuanming , Zhu Yonghua
Published: June 2024

Ferroptosis is an iron-dependent cell death that was discovered recently. For beneficial microbes to establish mutualistic relationships with hosts, precisely controlled cell death in plant cells is necessary. However, whether ferroptosis is involved in the endophyte‒plant system is poorly understood. Here, we reported that endophytic Streptomyces hygroscopicus OsiSh-2, which established a sophisticated and beneficial interaction with host rice plants, caused ferroptotic cell death in rice characterized by ferroptosis- and immune-related markers. Treatments with ferroptosis inhibitors and inducers, different doses of OsiSh-2, and the siderophore synthesis-deficient mutant ΔcchH revealed that only moderate ferroptosis induced by endophytes is essential for the establishment of an optimal symbiont to enhance plant growth. Additionally, ferroptosis involved in a defence-primed state in rice, which contributed to improved resistance against rice blast disease. Overall, our study provides new insights into the mechanisms of endophyte‒plant interactions mediated by ferroptosis and suggests new directions for crop yield promotion.
Enhancing the diagnosis of functionally relevant coronary artery disease with machine learning
Authors: Bock Christian , Walter Joan Elias , Rieck Bastian , Strebel Ivo , Rumora Klara , Schaefer Ibrahim , Zellweger Michael J. , Borgwardt Karsten , Müller Christian
Published: June 2024

Functionally relevant coronary artery disease (fCAD) can result in premature death or nonfatal acute myocardial infarction. Its early detection is a fundamentally important task in medicine. Classical detection approaches suffer from limited diagnostic accuracy or expose patients to possibly harmful radiation. Here we show how machine learning (ML) can outperform cardiologists in predicting the presence of stress-induced fCAD in terms of area under the receiver operating characteristic (AUROC: 0.71 vs. 0.64, p = 4.0E-13). We present two ML approaches, the first using eight static clinical variables, whereas the second leverages electrocardiogram signals from exercise stress testing. At a target post-test probability for fCAD of <15%, ML facilitates a potential reduction of imaging procedures by 15–17% compared to the cardiologist’s judgement. Predictive performance is validated on an internal temporal data split as well as externally. We also show that combining clinical judgement with conventional ML and deep learning using logistic regression results in a mean AUROC of 0.74.
Uncertainty-aware particle segmentation for electron microscopy at varied length scales
Authors: Rettenberger Luca , Szymanski Nathan J. , Zeng Yan , Schuetzke Jan , Wang Shilong , Ceder Gerbrand , Reischl Markus
Published: June 2024

Electron microscopy is indispensable for examining the morphology and composition of solid materials at the sub-micron scale. To study the powder samples that are widely used in materials development, scanning electron microscopes (SEMs) are increasingly used at the laboratory scale to generate large datasets with hundreds of images. Parsing these images to identify distinct particles and determine their morphology requires careful analysis, and automating this process remains challenging. In this work, we enhance the Mask R-CNN architecture to develop a method for automated segmentation of particles in SEM images. We address several challenges inherent to measurements, such as image blur and particle agglomeration. Moreover, our method accounts for prediction uncertainty when such issues prevent accurate segmentation of a particle. Recognizing that disparate length scales are often present in large datasets, we use this framework to create two models that are separately trained to handle images obtained at low or high magnification. By testing these models on a variety of inorganic samples, our approach to particle segmentation surpasses an established automated segmentation method and yields comparable results to the predictions of three domain experts, revealing comparable accuracy while requiring a fraction of the time. These findings highlight the potential of deep learning in advancing autonomous workflows for materials characterization.
A dataset of human capital-weighted population estimates for 185 countries from 1970 to 2100
Authors: Marois Guillaume , Cuaresma Jesus Crespo , Zellmann Jakob , Reiter Claudia
Published: June 2024

We provide a novel dataset of human capital-weighted population size (HCWP) for 185 countries from 1970 to 2100. HCWP summarizes a population’s productive capacity and human capital heterogeneity in a single metric, enabling comparisons across countries and over time. The weights are derived from Mincerian earnings functions applied to multi-country census data on educational attainment. The model used to compute the returns to schooling accounts for the diminishing positive relative relationship between education and wages as the overall education of populations rises. The population weights are adjusted by a skills assessment factor representing differences in education quality across countries and years. HCWP is calculated by applying these adjusted human capital weights to population estimates and projections disaggregated by age, sex and education, spanning the period 1970–2020 and 2020–2100 for five Shared Socioeconomic Pathway scenarios. Validation analyses demonstrate the utility of the new HCWP data in explaining national income trends. As a more comprehensive population measure than basic size and age-sex indicators, HCWP enhances the power of statistical models aimed at the assessment of socioeconomic change impacts and forecasting.
Organoclay-assisted disperse dyeing of polypropylene nanocomposite fabrics in supercritical carbon dioxide
Authors: Elmaaty Tarek A. , Mousa Abdalla A. , Farouk Reham , Elsisi Hanan , Sorour Heba , Youssef Yehya A. , Abbas Dina
Published: June 2024

Dyeing using supercritical carbon dioxide (SC-CO2) is carried out on the polypropylene (PP) nanocomposite fabrics with model disperse dye compared with their regular fabric at various dyeing temperatures and pressures. The results are compared with those obtained in aqueous dyeing method. The PP nanocompsite fabrics dyed in SC-CO2 medium exhibited higher colour strength (K/S) values compared with their PP regular fabric. The PP nanocompsite fabrics and their regular fabric dyed in SC-CO2 medium have higher K/S values than those dyed in aqueous medium. The color coordinates of all PP fabrics dyed in SC-CO2 and aqueous medium were positive with respect to a* and b* coordinates depending on the disperse red dye uptake. The PP nanocomposite fabrics dyed in SC-CO2 and aqueous medium exhibited higher antibacterial properties than their regular fabrics. All PP fabrics dyed in SC-CO2 and aqueous medium present very good washing, perspiration and light fastness.
Integration of passive sensing technology to enhance delivery of psychological interventions for mothers with depression: the StandStrong study
Authors: van Heerden Alastair , Poudyal Anubhuti , Hagaman Ashley , Maharjan Sujen Man , Byanjankar Prabin , Bemme Dörte , Thapa Ada , Kohrt Brandon A.
Published: June 2024

Psychological interventions delivered by non-specialist providers have shown mixed results for treating maternal depression. mHealth solutions hold the possibility for unobtrusive behavioural data collection to identify challenges and reinforce change in psychological interventions. We conducted a proof-of-concept study using passive sensing integrated into a depression intervention delivered by non-specialists to twenty-four adolescents and young mothers (30% 15–17 years old; 70% 18–25 years old) with infants (< 12 months old) in rural Nepal. All mothers showed a reduction in depression symptoms as measured with the Beck Depression Inventory. There were trends toward increased movement away from the house (greater distance measured through GPS data) and more time spent away from the infant (less time in proximity measured with the Bluetooth beacon) as the depression symptoms improved. There was considerable heterogeneity in these changes and other passively collected data (speech, physical activity) throughout the intervention. This proof-of-concept demonstrated that passive sensing can be feasibly used in low-resource settings and can personalize psychological interventions. Care must be taken when implementing such an approach to ensure confidentiality, data protection, and meaningful interpretation of data to enhance psychological interventions.
Sustainable fabrication of dimorphic plant derived ZnO nanoparticles and exploration of their biomedical and environmental potentialities
Authors: Naiel Bassant , Fawzy Manal , Mahmoud Alaa El Din , Halmy Marwa Waseem A.
Published: June 2024

Although, different plant species were utilized for the fabrication of polymorphic, hexagonal, spherical, and nanoflower ZnO NPs with various diameters, few studies succeeded in synthesizing small diameter ZnO nanorods from plant extract at ambient temperature. This work sought to pioneer the ZnO NPs fabrication from the aqueous extract of a Mediterranean salt marsh plant species Limoniastrum monopetalum (L.) Boiss. and assess the role of temperature in the fabrication process. Various techniques have been used to evaluate the quality and physicochemical characteristics of ZnO NPs. Ultraviolet–visible spectroscopy (UV–VIS) was used as the primary test for formation confirmation. TEM analysis confirmed the formation of two different shapes of ZnO NPs, nano-rods and near hexagonal NPs at varying reaction temperatures. The nano-rods were about 25.3 and 297.9 nm in diameter and in length, respectively while hexagonal NPs were about 29.3 nm. The UV–VIS absorption spectra of the two forms of ZnO NPs produced were 370 and 365 nm for nano-rods and hexagonal NPs, respectively. FT-IR analysis showed Zn–O stretching at 642 cm−1 and XRD confirmed the crystalline structure of the produced ZnO NPs. Thermogravimetric analysis; TGA was also used to confirm the thermal stability of ZnO NPs. The anti-tumor activities of the two prepared ZnO NPs forms were investigated by the MTT assay, which revealed an effective dose-dependent cytotoxic effect on A-431 cell lines. Both forms displayed considerable antioxidant potential, particularly the rod-shaped ZnO NPs, with an IC50 of 148.43 µg mL−1. The rod-shaped ZnO NPs were superior candidates for destroying skin cancer, with IC50 of 93.88 ± 1 µg mL−1 ZnO NPs. Thus, rod-shaped ZnO NPs are promising, highly biocompatible candidate for biological and biomedical applications. Furthermore, both shapes of phyto-synthesized NPs demonstrated effective antimicrobial activity against various pathogens. The outcomes highlight the potential of phyto-synthesized ZnO NPs as an eco-friendly alternative for water and wastewater disinfection.
Analogous electronic states in graphene and planer metallic quantum dots
Authors: Othman Ahmed M. , Kher-Elden Mohammad A. , Ibraheem Fatma , Hassan Moukhtar A. , Farouk Mohammed , Abd El-Fattah Zakaria M.
Published: June 2024

Graphene nanostructures offer wide range of applications due to their distinguished and tunable electronic properties. Recently, atomic and molecular graphene were modeled following simple free-electron scattering by periodic muffin tin potential leading to remarkable agreement with density functional theory. Here we extend the analogy of the $$\pi$$
π
-electronic structures and quantum effects between atomic graphene quantum dots (QDs) and homogeneous planer metallic counterparts of similar size and shape. Specifically, we show that at high binding energies, below the $$\overline{M}$$

M
¯

-point gap, graphene QDs enclose confined states and standing wave quasiparticle interference patterns analogous to those reported on coinage metal surfaces for nanoscale confining structures such as vacancy islands and quantum corrals. These confined and quantum corral-like states in graphene QDs can be resolved in tomography experiments using angle-resolved photoemission spectroscopy. Likewise, the shape of near-Fermi frontier orbitals in graphene quantum dots can be reproduced from electron confinement within homogeneous metal QDs of identical size and shape. Furthermore, confined states analogous to those found in metallic quantum stadiums can be realized in coupled QDs of graphene for reduced separation. The present study offer a simple fundamental understanding of graphene electronic structures and also open the way towards efficient modeling of novel graphene-based nanostructures.
Isothermal and kinetic screening of methyl red and methyl orange dyes adsorption from water by Delonix regia biochar-sulfur oxide (DRB-SO)
Authors: Eleryan Ahmed , Hassaan Mohamed , Nazir Muhammad A. , Shah Syed S. A. , Ragab Safaa , El Nemr Ahmed
Published: June 2024

In this study, Delonix regia seed pods (DRSPs) as a locally available material were refluxed in 90% H2SO4 to yield a novel D. regia seed pods biochar-sulfur oxide (DRB-SO). FTIR, BET, BJH, SEM, EDX, XRD, DSC and TGA were applied to investigate the characterizations of the prepared DRB-SO. Various adsorption parameters like pH effect, dye concentration effect, adsorbent dose, reaction time isotherm and kinetic study were carried out to explain the process of adsorption of methyl orange (MO) and methyl red (MR) onto DRB-SO. Langmuir's adsorption model perfectly explained the adsorption process onto the surface of DRB-SO as a monolayer. The maximum adsorption efficiency of DRB-SO was (98%) and (99.6%) for MO and MR respectively which attained after 150 min with an adsorbent dose of 0.75 g/L. The pseudo-second-order kinetic model best explained the process of adsorption of MO and MR dyes by DRB-SO. The highest observed adsorption amount was as high as 144.9 mg/g for MO dye and 285.7 mg/g for MR dye, comparable with other reported materials based on activated carbon materials. All of the outcomes signposted a prodigious perspective of the fabricated biochar composite material in wastewater treatment. Using the regenerating DRB-SO through an acid–base regeneration process, six cycles of adsorption/desorption were examined. Over the course of the cycles, there was a minor decrease in the adsorption and desorption processes. Also, it was revealed what the most plausible mechanism was for DRB-SO to absorb the ions of the MO and MR dyes.
Pharmacological studies and pharmacokinetic modelling to support the development of interventions targeting ecological reservoirs of Lyme disease
Authors: Pelletier Jérôme , Bouchard Catherine , Aenishaenslin Cécile , Beaudry Francis , Ogden Nicholas H. , Leighton Patrick A. , Rocheleau Jean-Philippe
Published: June 2024

The development of interventions targeting reservoirs of Borrelia burgdorferi sensu stricto with acaricide to reduce the density of infected ticks faces numerous challenges imposed by ecological and operational limits. In this study, the pharmacokinetics, efficacy and toxicology of fluralaner were investigated in Mus musculus and Peromyscus leucopus mice, the main reservoir of B. burgdorferi in North America. Fluralaner showed rapid distribution and elimination, leading to fast plasma concentration (Cp) depletion in the first hours after administration followed by a slow elimination rate for several weeks, resulting in a long terminal half-life. Efficacy fell below 100% while Cp (± standard deviation) decreased from 196 ± 54 to 119 ± 62 ng/mL. These experimental results were then used in simulations of fluralaner treatment for a duration equivalent to the active period of Ixodes scapularis larvae and nymphs. Simulations showed that doses as low as 10 mg/kg have the potential to protect P. leucopus against infestation for a full I. scapularis active season if administered at least once every 7 days. This study shows that investigating the pharmacology of candidate acaricides in combination with pharmacokinetic simulations can provide important information to support the development of effective interventions targeting ecological reservoirs of Lyme disease. It therefore represents a critical step that may help surpass limits inherent to the development of these interventions.
Elevated fecal calprotectin is associated with gut microbial dysbiosis, altered serum markers and clinical outcomes in older individuals
Authors: Heinzel Sebastian , Jureczek Jenna , Kainulainen Veera , Nieminen Anni I. , Suenkel Ulrike , von Thaler Anna-Katharina , Kaleta Christoph , Eschweiler Gerhard W. , Brockmann Kathrin , Aho Velma T. E. , Auvinen Petri , Maetzler Walter , Berg Daniela , Scheperjans Filip
Published: June 2024

Fecal calprotectin is an established marker of gut inflammation in inflammatory bowel disease (IBD). Elevated levels of fecal calprotectin as well as gut microbial dysbiosis have also been observed in other clinical conditions. However, systemic and multi-omics alterations linked to elevated fecal calprotectin in older individuals remain unclear. This study comprehensively investigated the relationship between fecal calprotectin levels, gut microbiome composition, serum inflammation and targeted metabolomics markers, and relevant lifestyle and medical data in a large sample of older individuals (n = 735; mean age ± SD: 68.7 ± 6.3) from the TREND cohort study. Low (0–50 μg/g; n = 602), moderate (> 50–100 μg/g; n = 64) and high (> 100 μg/g; n = 62) fecal calprotectin groups were stratified. Several pro-inflammatory gut microbial genera were significantly increased and short-chain fatty acid producing genera were decreased in high vs. low calprotectin groups. In serum, IL-17C, CCL19 and the toxic metabolite indoxyl sulfate were increased in high vs. low fecal calprotectin groups. These changes were partially mediated by the gut microbiota. Moreover, the high fecal calprotectin group showed increased BMI and a higher disease prevalence of heart attack and obesity. Our findings contribute to the understanding of fecal calprotectin as a marker of gut dysbiosis and its broader systemic and clinical implications in older individuals.
Undrained behavior of marine clay under one-way cyclic loading with variable confining pressure
Authors: Sun Lei
Published: June 2024

Settlement of roads or railway caused by traffic loading has a serious effect on the safety and service performance of transport infrastructures constructed on soft marine clay. While simple cyclic triaxial test with constant confining pressure (CCP) were used in most of the previous studies, a series of cyclic triaxial tests with variable confining pressure (VCP) were carried out on normally consolidated (NC) and overconsolidated (OC) reconstituted Wenzhou soft clay in this paper to study the undrained behavior of soft marine clay due to surcharge preloading as well as cyclic traffic loading. VCP test is able to approximate the complicated stress path than CCP test caused by traffic loading. The test results indicate that NC specimens show significantly different pore water pressure (u) evolution compared with OC specimens. However, a change in the overconsolidation ratio (OCR) of OC specimens does not have a significant influence on variation of u with identical cyclic stress ratio (CSR) and total stress path (η). The slope of the effective stress path is dependent on the total stress path under which the specimen was loaded cyclically, regardless of the OCR and whether variable confining pressure was applied. The slope of the effective stress path is broadly in line with the slope of corresponding total stress path. In addition, the development of permanent axial strain (εpa) due to one-way cyclic loading was shown to depend significantly on the values of η and OCR. Both the variable confining pressure and OCR limited the strain accumulation of saturated marine clay under undrained one-way cyclic loading. Finally, the effects of η and OCR on the magnitude of εpa after 1000 loading cycles are quantified and incorporated in a power law function for the permanent deformation prediction of soft marine clay due to traffic loading.
C1s targeting antibodies inhibit the growth of cutaneous squamous carcinoma cells
Authors: Nissinen Liisa , Riihilä Pilvi , Viiklepp Kristina , Rajagopal Vaishnavi , Storek Michael J. , Kähäri Veli-Matti
Published: June 2024

Cutaneous squamous cell carcinoma (cSCC) is the most common metastatic skin cancer. The incidence of cSCC is increasing globally and the prognosis of metastatic disease is poor. Currently there are no specific targeted therapies for advanced or metastatic cSCC. We have previously shown abundant expression of the complement classical pathway C1 complex components, serine proteases C1r and C1s in tumor cells in invasive cSCCs in vivo, whereas the expression of C1r and C1s was lower in cSCCs in situ, actinic keratoses and in normal skin. We have also shown that knockdown of C1s expression results in decreased viability and growth of cSCC cells by promoting apoptosis both in culture and in vivo. Here, we have studied the effect of specific IgG2a mouse monoclonal antibodies TNT003 and TNT005 targeting human C1s in five primary non-metastatic and three metastatic cSCC cell lines that show intracellular expression of C1s and secretion of C1s into the cell culture media. Treatment of cSCC cells with TNT003 and TNT005 significantly inhibited their growth and viability and promoted apoptosis of cSCC cells. These data indicate that TNT003 and TNT005 inhibit cSCC cell growth in culture and warrant further investigation of C1s targeted inhibition in additional in vitro and in vivo models of cSCC.
A comparative Monte Carlo simulation study on shielding features of the CaF2–CaO–B2O3–P2O5–SrO–Ta2O5 glass system against X-ray by GEANT4 and MCNPX codes
Authors: Isazadeh Farzad , Abdi Saray Akbar
Published: June 2024

Regarding to their unique physical and mechanical features, glasses and glass–ceramics are suitable materials for shielding purposes. The present study evaluates the shielding properties of the CaF2–CaO–B2O3–P2O5–SrO–Ta2O5 glass system using Monte Carlo GEANT4 and MCNPX codes for X-ray radiations with an energy range of 20 to 100 keV. MAC values of the Ta0, Ta1, Ta2, Ta2.5, and Ta3 samples of the CaF2–CaO–B2O3–P2O5–SrO–Ta2O5 glass were computed using Phy-X/PSD, GEANT4, and MCNPX codes and compared. According to the results, the programs have good compatibility with each other. For instance, in the energy of 40 keV and for the Ta2 sample, GEANT4 and MCNP codes are 1.445765406 and 1.517801204 cm2/g, respectively, indicating 7.419529525 and 2.829628418% differences with 1.562 cm2/g obtained using the Phy-X/PSD software. According to recent estimations, the Ta3 sample of the CaF2–CaO–B2O3–P2O5–SrO–Ta2O5 glass system can be selected as the best shield compared with the other samples.
Effects of woodland slope on heavy metal migration via surface runoff, interflow, and sediments in sewage sludge application
Authors: Xian Lihua , Lu Dehao , Yang Yuantong , Feng Jiayi , Fang Jianbo , Jacobs Douglass F. , Wu Daoming , Zeng Shucai
Published: June 2024

Sewage sludge (SS) application to forest plantation soils as a fertilizer and/or soil amendment is increasingly adopted in plantation forest management. However, the potential risks of SS-derived heavy metals (HMs) remain a concern. Many factors, including woodland slope may affect the risks, but the understanding of this issue is limited. This research evaluated the HMs migration via surface runoff, interflow, and sediments when SS was applied in woodlands of varying slopes. We conducted indoor rainfall simulations and natural rainfall experiments to clarify the effect of slope on the migration of HMs via runoff (including surface and interflow) and sediments. In the simulated rainfall experiment, HMs lost via sediments increased by 9.79–27.28% when the slope increased from 5° to 25°. However, in the natural rainfall experiment, when the slope of forested land increased from 7° to 23°, HMs lost via surface runoff increased by 2.38% to 6.13%. These results indciate that the surface runoff water on a high slope (25°) posed high water quality pollution risks. The migration of HMs via surface runoff water or interflow increased as the steepness of the slope increased. The total migration of Cu, Zn, Pb, Ni, Cr and Cd via sediment greatly exceeded that via surface runoff and interflow. Particles ≤ 0.05 mm contributed the most to the ecological risks posed by sediments. Cd was the main source of potential ecological risks in sediments under both experimental conditions.
Variant ranking pipeline for complex familial disorders
Authors: Ralli Sneha , Vira Tariq , Robles-Espinoza Carla Daniela , Adams David J. , Brooks-Wilson Angela R.
Published: June 2024

Identifying genetic susceptibility factors for complex disorders remains a challenging task. To analyze collections of small and large pedigrees where genetic heterogeneity is likely, but biological commonalities are plausible, we have developed a weights-based pipeline to prioritize variants and genes. The Weights-based vAriant Ranking in Pedigrees (WARP) pipeline prioritizes variants using 5 weights: disease incidence rate, number of cases in a family, genome fraction shared amongst cases in a family, allele frequency and variant deleteriousness. Weights, except for the population allele frequency weight, are normalized between 0 and 1. Weights are combined multiplicatively to produce family-specific-variant weights that are then averaged across all families in which the variant is observed to generate a multifamily weight. Sorting multifamily weights in descending order creates a ranked list of variants and genes for further investigation. WARP was validated using familial melanoma sequence data from the European Genome-phenome Archive. The pipeline identified variation in known germline melanoma genes POT1, MITF and BAP1 in 4 out of 13 families (31%). Analysis of the other 9 families identified several interesting genes, some of which might have a role in melanoma. WARP provides an approach to identify disease predisposing genes in studies with small and large pedigrees.
Decoding depression by exploring the exposome-genome edge amidst COVID-19 lockdown
Authors: Farré Xavier , Blay Natalia , Espinosa Ana , Castaño-Vinyals Gemma , Carreras Anna , Garcia-Aymerich Judith , Cardis Elisabeth , Kogevinas Manolis , Goldberg Ximena , de Cid Rafael
Published: June 2024

Risk of depression increased in the general population after the COVID-19 pandemic outbreak. By examining the interplay between genetics and individual environmental exposures during the COVID-19 lockdown, we have been able to gain an insight as to why some individuals are more vulnerable to depression, while others are more resilient. This study, conducted on a Spanish cohort of 9218 individuals (COVICAT), includes a comprehensive non-genetic risk analysis, the exposome, complemented by a genomics analysis in a subset of 2442 participants. Depression levels were evaluated using the Hospital Anxiety and Depression Scale. Together with Polygenic Risk Scores (PRS), we introduced a novel score; Poly-Environmental Risk Scores (PERS) for non-genetic risks to estimate the effect of each cumulative score and gene-environment interaction. We found significant positive associations for PERSSoc (Social and Household), PERSLife (Lifestyle and Behaviour), and PERSEnv (Wider Environment and Health) scores across all levels of depression severity, and for PRSB (Broad depression) only for moderate depression (OR 1.2, 95% CI 1.03–1.40). On average OR increased 1.2-fold for PERSEnv and 1.6-fold for PERLife and PERSoc from mild to severe depression level. The complete adjusted model explained 16.9% of the variance. We further observed an interaction between PERSEnv and PRSB showing a potential mitigating effect. In summary, stressors within the social and behavioral domains emerged as the primary drivers of depression risk in this population, unveiling a mitigating interaction effect that should be interpreted with caution.
Emergence of potentially disinfection-resistant, naturalized Escherichia coli populations across food- and water-associated engineered environments
Authors: Yu Daniel , Stothard Paul , Neumann Norman F.
Published: June 2024

The Escherichia coli species is comprised of several ‘ecotypes’ inhabiting a wide range of host and natural environmental niches. Recent studies have suggested that novel naturalized ecotypes have emerged across wastewater treatment plants and meat processing facilities. Phylogenetic and multilocus sequence typing analyses clustered naturalized wastewater and meat plant E. coli strains into two main monophyletic clusters corresponding to the ST635 and ST399 sequence types, with several serotypes identified by serotyping, potentially representing distinct lineages that have naturalized across wastewater treatment plants and meat processing facilities. This evidence, taken alongside ecotype prediction analyses that distinguished the naturalized strains from their host-associated counterparts, suggests these strains may collectively represent a novel ecotype that has recently emerged across food- and water-associated engineered environments. Interestingly, pan-genomic analyses revealed that the naturalized strains exhibited an abundance of biofilm formation, defense, and disinfection-related stress resistance genes, but lacked various virulence and colonization genes, indicating that their naturalization has come at the cost of fitness in the original host environment.
Visualization of strain distribution in rubber bulk during friction
Authors: Nishi Toshiaki , Ueno Kyohei , Nomoto Tomohiro , Sugisawa Shinya , Shin Daiki , Yamaguchi Ken , Kuwayama Isao , Yamaguchi Takeshi
Published: June 2024

This study employed a digital image correlation method (DICM) to experimentally quantify horizontal strain distribution in silicone rubber bulk during horizontal displacement against a stainless-steel sphere with/without glycerol. The strain distribution at different depth levels was measured by capturing the position of white powders in transparent rubber bulk. The experimental results indicated that each point in the rubber bulk moved while describing a horizontal loop during horizontal displacement depending on the position and lubrication conditions. This caused changes in the horizontal strain during horizontal displacement. These results suggest that the hysteresis term could be caused by changes in the vertical and horizontal strains.
Isotemporal substitution of accelerometer-derived sedentary behavior and physical activity on physical fitness in young children
Authors: Gu Ying , Kim Junghoon , Ma Jiameng , Guo Hongzhi , Sano Hiroko , Chung Ho Jin , Chua Terence Buan Kiong , Chia Michael Yong Hwa , Kim Hyunshik
Published: June 2024

This study investigates the effects of different types of physical activity (PA) on the physical fitness (PF) of young children in Japan, with a particular focus on how substituting sedentary behavior (SB) with active behaviors influences PF. We conducted a cross-sectional analysis of 1843 participants aged 3–6 years from northeastern Japan. Using triaxial accelerometers, we quantified PA, and PF was assessed via standardized tests. The innovative application of isotemporal substitution modeling (ISM) allowed us to analyze the impact of reallocating time from SB to more active states, specifically moderate-to-vigorous physical activity (MVPA) and light physical activity (LPA). Our findings reveal a robust association between increased MVPA and enhanced PF outcomes, underscoring the health benefits of reducing SB. Notably, replacing SB with LPA also showed beneficial effects on certain PF metrics, indicating LPA's potential role in early childhood fitness. These results highlight the critical importance of promoting MVPA and minimizing sedentary periods to bolster PF in young children. The study offers vital insights for shaping public health policies and emphasizes the need to cultivate an active lifestyle from an early age to secure long-term health advantages.
Forest type modulates mammalian responses to megafires
Authors: Magioli Marcelo , Lima Luanne Helena Augusto , Villela Priscilla Marqui Schmidt , Sampaio Ricardo , Bonjorne Lilian , Ribeiro Renan Lieto Alves , Kantek Daniel Luis Zanella , Miyazaki Selma Samiko , Semedo Thiago B. F. , Libardi Gustavo S. , Saranholi Bruno H. , Eriksson Charlotte E. , Morato Ronaldo Gonçalves , Berlinck Christian Niel
Published: June 2024

Although considered an evolutionary force responsible for shaping ecosystems and biodiversity, fires’ natural cycle is being altered by human activities, increasing the odds of destructive megafire events. Here, we show that forest type modulates the responses of terrestrial mammals, from species to assemblage level, to a catastrophic megafire in the Brazilian Pantanal. We unraveled that mammalian richness was higher 1 year after fire passage compared to a pre-fire condition, which can be attributed to habitat modification caused by wildfires, attracting herbivores and open-area tolerant species. We observed changes in assemblage composition between burned/unburned sites, but no difference in mammalian richness or relative abundance. However, by partitioning the effects of burned area proportion per forest type (monospecific vs. polyspecific), we detected differential responses of mammals at several levels of organization, with pronounced declines in species richness and relative abundance in monospecific forests. Eighty-six percent of the species presented moderate to strong negative effects on their relative abundance, with an overall strong negative effect for the entire assemblage. Wildfires are predicted to be more frequent with climate and land use change, and if events analogous to Pantanal-2020 become recurrent, they might trigger regional beta diversity change, benefitting open-area tolerant species.
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications
Authors: Snyder Scott H. , Vignaux Patricia A. , Ozalp Mustafa Kemal , Gerlach Jacob , Puhl Ana C. , Lane Thomas R. , Corbett John , Urbina Fabio , Ekins Sean
Published: June 2024

Recent advances in machine learning (ML) have led to newer model architectures including transformers (large language models, LLMs) showing state of the art results in text generation and image analysis as well as few-shot learning (FSLC) models which offer predictive power with extremely small datasets. These new architectures may offer promise, yet the ‘no-free lunch’ theorem suggests that no single model algorithm can outperform at all possible tasks. Here, we explore the capabilities of classical (SVR), FSLC, and transformer models (MolBART) over a range of dataset tasks and show a ‘goldilocks zone’ for each model type, in which dataset size and feature distribution (i.e. dataset “diversity”) determines the optimal algorithm strategy. When datasets are small ( < 50 molecules), FSLC tend to outperform both classical ML and transformers. When datasets are small-to-medium sized (50-240 molecules) and diverse, transformers outperform both classical models and few-shot learning. Finally, when datasets are of larger and of sufficient size, classical models then perform the best, suggesting that the optimal model to choose likely depends on the dataset available, its size and diversity. These findings may help to answer the perennial question of which ML algorithm is to be used when faced with a new dataset.
Facilitating active NiOOH formation via Mo doping towards high-efficiency oxygen evolution
Authors: Wang Liuqing , Li Jinsheng , Meng Qinglei , Xiao Meiling , Liu Changpeng , Xing Wei , Zhu Jianbing
Published: June 2024

The promotion effects of Mo doping into NiFe layered double hydroxide were revealed as facilitated NiOOH generation, tailored *OH adsorption, and improved dehydrogenation, which enabled enhanced activity and durability towards water oxidation.
Bubble-mediated generation of airborne nanoplastic particles
Authors: Kjærgaard Eva Rosendal , Hasager Freja , Petters Sarah Suda , Glasius Marianne , Bilde Merete
Published: June 2024

Bubbling air through water containing mono-disperse polystyrene nanoparticles is shown to result in transfer of nanoplastic particles to air.
N-Sulfonylphenoxazines as neuronal calcium ion channel blockers
Authors: Schmit Matthieu , Hasan Md. Mahadhi , Dongol Yashad , Cardoso Fernanda C. , Kuiper Michael J. , Lewis Richard J. , Duggan Peter J. , Tuck Kellie L.
Published: June 2024

A series of N-sulfonylphenoxazines were synthesised and tested for CaV2.2 and CaV3.2 ion channel inhibition. Compounds with low micromolar activity for CaV2.2 had good plasma stability and liver microsomal stability, and favourable CNS MPO scores.
Correction: Highly potent and selective phosphatidylinositol 4-kinase IIIβ inhibitors as broad-spectrum anti-rhinoviral agents
Authors: Vishakantegowda Avinash G. , Hwang Dasom , Chakrasali Prashant , Jung Eunhye , Lee Joo-Youn , Shin Jin Soo , Jung Young-Sik
Published: June 2024

Correction for ‘Highly potent and selective phosphatidylinositol 4-kinase IIIβ inhibitors as broad-spectrum anti-rhinoviral agents’ by Avinash G. Vishakantegowda et al., RSC Med. Chem., 2024, 15, 704–719, https://doi.org/10.1039/D3MD00630A.
Enhanced fluorometric detection of histamine using red emissive amino acid-functionalized bimetallic nanoclusters
Authors: Alqahtani Yahya S. , Mahmoud Ashraf M. , Ali Al-Montaser Bellah H. , El-Wekil Mohamed M.
Published: June 2024

A new LYS@Ag/Au NCs fluorescent probe was designed for selective and sensitive detection of histamine. Addition of histamine led to fluorescence quenching through aggregation.
Synthesis, computational docking and molecular dynamics studies of a new class of spiroquinoxalinopyrrolidine embedded chromanone hybrids as potent anti-cholinesterase agents
Authors: Arumugam Natarajan , Darshan V. M. Datta , Venketesh Vishal , Pradhan Sai Sanwid , Garg Anuj , Sivaramakrishnan Venketesh , Kanchi Subbarao , Mahalingam Sakkarapalayam M.
Published: June 2024

Spiropyrrolidines were synthesized in good yields by cycloaddition protocol, these compounds showed potent cholinesterase inhibitory activities. Experimentalin vitro findings are consistent with docking and molecular dynamics simulations.
Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes
Authors: Nuñez Bahena Erick , Hosseini Kimia , Curto Sheila Galván , Schafer Laurel L.
Published: June 2024

A change in regioselectivity for group 4 catalysed hydroaminoalkylation gives linear homoallylic amines from conjugated dienes and amines. Isolated reaction intermediates provide mechanistic insight and evidence for reversible C–C bond formation.
A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage
Authors: Sharma Shruti , Krishnaswamy Shobhana , Prusty Soumyakanta , Chand Dillip Kumar
Published: June 2024

Multi-cavity discrete coordination cages (MCDCC) are prepared by mixing Pd(ii) with designer bis- and tris-monodentate ligands in a 5 : 4 : 4 ratio. Two trinuclear sub-frameworks are conjoined in the molecular architecture of the ensuing MCDCC.
A multi-functional electrolyte additive for fast-charging and flame-retardant lithium-ion batteries
Authors: Long Jing , Huang Jiafang , Miao Yuhui , Huang Huiting , Chen Xiaochuan , Wu Junxiong , Li Xiaoyan , Chen Yuming
Published: June 2024

A multi-functional electrolyte additive, namely ethoxy(pentafluoro)cyclotriphosphazene, is explored to realize extreme fast charging of lithium-ion batteries with enhanced safety.
Postsynthetic modification of a Zn-MOF to yield an efficient H-bond catalyst in the preparation of biologically active macromolecules
Authors: Tavakoli Elham , Sepehrmansourie Hassan , Zarei Mahmoud , Zolfigol Mohammad Ali , Khazaei Ardeshir , Mohammadzadeh Abdolmajid , Ghytasranjbar Elaheh
Published: June 2024

In this research, TMU-52-UR an efficient H-bond catalyst-based pillar-layered MOFs, was synthesized using the post-modification method and used in the preparation of biological active macromolecules.
Enhanced X and Ku band microwave absorption powered by a magnetic–dielectric synergistic effect in Pr-doped M/W composite hexaferrites
Authors: Xiong Xiaoqiang , Jing Xiaodong , Chen Zitao , Zhao Qianqian , Li Zuoguang , Yang Xi , Wang Qun , Zhao Tongyun , Gong Huayang
Published: June 2024

Pr-doped M/W composite hexaferrites exhibit satisfactory microwave absorption performance due to high magnetic loss and dielectric loss caused by strong resonance interaction and multiple polarization mechanisms.
Switching periodic event‐triggered global prescribed performance control of uncertain strict‐feedback systems with sensor faults
Authors: Xu Xindi , Zhang Zhikai , Hou Mingzhe
Published: June 2024

This study investigates the global adaptive prescribed performance control (PPC) of a class of uncertain strict‐feedback nonlinear systems with sensor faults based on the switching periodic event‐triggering mechanism (SPETM). Due to the existence of sensor faults, the controlled system is first remodeled by utilizing the available variables. To reduce the communication frequency, a novel SPETM is proposed by combining the advantages of the static and the dynamic event‐triggering mechanisms. This mechanism can not only avoid continuously monitoring the event‐triggering condition and avoid the Zeno phenomenon in mechanism, but also reduce the trigger frequency while ensuring the system performance by adjusting the event‐triggering threshold dynamically. Meanwhile, a time‐varying scaling function, whose reciprocal is considered as a prescribed performance function, is designed to achieve the global PPC by combining the nonlinear transformation technique. The adaptive control algorithm design is completed by employing the backstepping methodology, which can guarantee that all closed‐loop signals are bounded and the actual system output signal evolves within the prescribed performance boundary for arbitrary initial values. The effectiveness and the advantages of the proposed control algorithm are illustrated through an application example of the network‐based robotic manipulator system.
YOLOv9 for fracture detection in pediatric wrist trauma X‐ray images
Authors: Chien Chun‐Tse , Ju Rui‐Yang , Chou Kuang‐Yi , Chiang Jen‐Shiun
Published: June 2024

The introduction of YOLOv9, the latest version of the you only look once (YOLO) series, has led to its widespread adoption across various scenarios. This paper is the first to apply the YOLOv9 algorithm model to the fracture detection task as computer‐assisted diagnosis to help radiologists and surgeons to interpret X‐ray images. Specifically, this paper trained the model on the GRAZPEDWRI‐DX dataset and extended the training set using data augmentation techniques to improve the model performance. Experimental results demonstrate that compared to the mAP 50–95 of the current state‐of‐the‐art model, the YOLOv9 model increased the value from 42.16% to 43.73%, with an improvement of 3.7%. The implementation code is publicly available at https://github.com/RuiyangJu/YOLOv9‐Fracture‐Detection.