bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultra-inert lanthanide chelates as mass tags for multiplexed bioanalysis
Authors: David Tomáš , Šedinová Miroslava , Myšková Aneta , Kuneš Jaroslav , Maletínská Lenka , Pohl Radek , Dračínský Martin , Mertlíková-Kaiserová Helena , Čížek Karel , Klepetářová Blanka , Litecká Miroslava , Kaňa Antonín , Sýkora David , Jaroš Adam , Straka Michal , Polasek Miloslav
Published: November 2024

Coordination compounds of lanthanides are indispensable in biomedical applications as MRI contrast agents and radiotherapeutics. However, since the introduction of the chelator DOTA four decades ago, there has been only limited progress on improving their thermodynamic stability and kinetic inertness, which are essential for safe in vivo use. Here, we present ClickZip, an innovative synthetic strategy employing a coordination-templated formation of a 1,5-triazole bridge that improves kinetic inertness up to a million-fold relative to DOTA, expanding utility of lanthanide chelates beyond traditional uses. Acting as unique mass tags, the ClickZip chelates can be released from (biological) samples by acidic hydrolysis, chromatographically distinguished from interfering lanthanide species, and sensitively detected by mass spectrometry. Lanthanides enclosed in ClickZip chelates are chemically almost indistinguishable, providing a more versatile alternative to chemically identical isotopic labels for multiplexed analysis. The bioanalytical potential is demonstrated on tagged cell-penetrating peptides in vitro, and anti-obesity prolactin-releasing peptides in vivo.
Post-translational toxin modification by lactate controls Staphylococcus aureus virulence
Authors: Wang Yanan , Liu Yanfeng , Xiang Guoxiu , Jian Ying , Yang Ziyu , Chen Tianchi , Ma Xiaowei , Zhao Na , Dai Yingxin , Lv Yan , Wang Hua , He Lei , Shi Bisheng , Liu Qian , Liu Yao , Otto Michael , Li Min
Published: November 2024

Diverse post-translational modifications have been shown to play important roles in regulating protein function in eukaryotes. By contrast, the roles of post-translational modifications in bacteria are not so well understood, particularly as they relate to pathogenesis. Here, we demonstrate post-translational protein modification by covalent addition of lactate to lysine residues (lactylation) in the human pathogen Staphylococcus aureus. Lactylation is dependent on lactate concentration and specifically affects alpha-toxin, in which a single lactylated lysine is required for full activity and virulence in infection models. Given that lactate levels typically increase during infection, our results suggest that the pathogen can use protein lactylation as a mechanism to increase toxin-mediated virulence during infection.
Pharmacogenomic screening identifies and repurposes leucovorin and dyclonine as pro-oligodendrogenic compounds in brain repair
Authors: Huré Jean-Baptiste , Foucault Louis , Ghayad Litsa Maria , Marie Corentine , Vachoud Nicolas , Baudouin Lucas , Azmani Rihab , Ivljanin Natalija , Arevalo-Nuevo Alvaro , Pigache Morgane , Bouslama-Oueghlani Lamia , Chemelle Julie-Anne , Dronne Marie-Aimée , Terreux Raphaël , Hassan Bassem , Gueyffier François , Raineteau Olivier , Parras Carlos
Published: November 2024

Oligodendrocytes are critical for CNS myelin formation and are involved in preterm-birth brain injury (PBI) and multiple sclerosis (MS), both of which lack effective treatments. We present a pharmacogenomic approach that identifies compounds with potent pro-oligodendrogenic activity, selected through a scoring strategy (OligoScore) based on their modulation of oligodendrogenic and (re)myelination-related transcriptional programs. Through in vitro neural and oligodendrocyte progenitor cell (OPC) cultures, ex vivo cerebellar explants, and in vivo mouse models of PBI and MS, we identify FDA-approved leucovorin and dyclonine as promising candidates. In a neonatal chronic hypoxia mouse model mimicking PBI, both compounds promote neural progenitor cell proliferation and oligodendroglial fate acquisition, with leucovorin further enhancing differentiation. In an adult MS model of focal de/remyelination, they improve lesion repair by promoting OPC differentiation while preserving the OPC pool. Additionally, they shift microglia from a pro-inflammatory to a pro-regenerative profile and enhance myelin debris clearance. These findings support the repurposing of leucovorin and dyclonine for clinical trials targeting myelin disorders, offering potential therapeutic avenues for PBI and MS.
Single-point mutated lanmodulin as a high-performance MRI contrast agent for vascular and kidney imaging
Authors: Liu Yuxia , Gao Duyang , He Yuanyuan , Ma Jing , Chong Suet Yen , Qi Xinyi , Ting Hui Jun , Luo Zichao , Yi Zhigao , Tang Jingyu , Chang Chao , Wang Jiongwei , Sheng Zonghai , Zheng Hairong , Liu Xiaogang
Published: November 2024

Magnetic resonance imaging contrast agents can enhance diagnostic precision but often face limitations such as short imaging windows, low tissue specificity, suboptimal contrast enhancement, or potential toxicity, which affect resolution and long-term monitoring. Here, we present a protein contrast agent based on lanmodulin, engineered with a single-point mutation at position 108 from N to D to yield maximum gadolinium binding sites. After loading with Gd3+ ions, the resulting protein complex, LanND-Gd, exhibits efficient renal clearance, high relaxivity, and prolonged renal retention compared to commercial agents. LanND-Gd enables high-performance visualization of whole-body structures and brain vasculature in male mice at a resolution finer than one hundred micrometers. In male ischemia mouse models, LanND-Gd also improves kidney dysfunction monitoring while minimizing risks of neural toxicity or immunogenic reactions. This protein-based contrast agent offers superior image quality, improved biocompatibility, and extended imaging timeframes, promising significant advancements in magnetic resonance-based diagnostics and patient outcomes.
Parsing heterogeneity in global and local white matter integrity at different stages across the psychosis continuum
Authors: Iseli Galya C. , Ulrich Sarah , Stämpfli Philipp , Studerus Erich , Coynel David , Riecher-Rössler Anita , Homan Philipp , Kaiser Stefan , Borgwardt Stefan , Kirschner Matthias , Schmidt André
Published: November 2024

Psychosis progresses along a continuum. While heterogeneity is evident across the continuum, it remains unknown whether this is also reflected in white matter (WM) heterogeneity and whether parsing WM heterogeneity may reveal subgroups with more pronounced clinical features. This analysis included 212 participants consisting of healthy controls (HC, n = 59), individuals with high schizotypy (SPT, n = 27), at-risk mental state (ARMS, n = 35), and patients with first episode psychosis (FEP, n = 50) and schizophrenia (SZ, n = 41). Fractional anisotropy (FA) and mean diffusivity (MD) were derived from diffusion tensor imaging (DTI), and fibre density (FD), a non-tensor-derived diffusion marker, was computed. The Person-Based-Similarity Index (PBSI) and Coefficient of Variation Ratio (CVR) were computed to assess global and local heterogeneity. ANOVAs were performed to determine whether people with deviating PBSIs exhibit more pronounced clinical features. Global heterogeneity for all diffusion parameters significantly differed across groups, with greatest difference in heterogeneity between SZ and HC. Results further indicate that FA deviators exhibit lower global functioning and higher negative symptoms. Local FA heterogeneity was greater in FEP relative to ARMS and HC in almost all WM tracts, while SZ patients specifically showed greater heterogeneity in the right thalamic radiation and the left uncinate compared to HCs. Group differences in WM heterogeneity might be indicative of symptom specificity and duration. While these findings offer valuable insights into the neurobiological variability of psychosis, they are primarily hypothesis-generating. Future large-scale studies are warranted to test the robustness of diffusion markers and their clinical relevance.
Mathematics interest, self-efficacy, and anxiety predict STEM career choice in emerging adulthood
Authors: Ferdinand Rebecca , Malanchini Margherita , Rimfeld Kaili
Published: November 2024

To examine the combined effects of maths anxiety (MA), maths self-efficacy (MSE), and maths interest (MI) on STEM career choice, we analysed self-report data from 7908 Twins Early Development Study participants, collected at ages 16 (MSE, MI), 18 (MA) and 21 (STEM career choice). When analysed in the same model, MSE did not independently predict STEM career choice. MI (OR = 1.75) was a stronger predictor than MA (OR = 0.79), which was not significant after controlling for maths achievement. MI was a significant positive predictor of STEM career choices for both males (OR = 1.88) and females (OR = 1.77). However, MA was only predictive for males (OR = 0.62), and MSE was only predictive for females in the unadjusted model (OR = 1.77). These results highlight the importance of nurturing maths interest to bridge the STEM skills gap, regardless of sex. Future research should consider the co-development of maths-related psychological constructs to further understand their influence on STEM career paths.
Comprehensive experimental datasets of quasicrystals and their approximants
Authors: Fujita Erina , Liu Chang , Ishikawa Asuka , Mato Tomoya , Kitahara Koichi , Tamura Ryuji , Kimura Kaoru , Yoshida Ryo , Katsura Yukari
Published: November 2024

Quasicrystals are solid-state materials that typically exhibit unique symmetries, such as icosahedral or decagonal diffraction symmetry. They were first discovered in 1984. Over the past four decades of quasicrystal research, around 100 stable quasicrystals have been discovered. In recent years, machine learning has been employed to explore quasicrystals with unique properties inherent to quasiperiodic systems. However, the lack of open data on quasicrystal composition, structure, and physical properties has hindered the widespread use of machine learning in quasicrystal research. This study involves a comprehensive literature review and manual data extraction to develop open datasets consisting of composition, structure types, phase diagrams, and sample fabrication processes for a wide range of stable and metastable quasicrystals and approximant crystals, as well as the temperature-dependent thermal, electrical, and magnetic properties.
Genome assembly at chromosome scale with telomere ends for Pearlspot, Etroplus suratensis
Authors: Katneni Vinaya Kumar , Krishnan Karthic , Prabhudas Sudheesh K , Jayaraman Roja , Quraishi Nida , Vasagam Kumaraguru , Jangam Ashok Kumar , Angel Jesudhas Raymond Jani , Kaikkolante Nimisha , Jayaraman Kumaravel , Mudagandur S Shekhar
Published: November 2024

The pearlspot, Etroplus suratensis is a climate resilient cichlid fish that exhibits unusual adaptation to salinity. The fish is able to complete full life cycle in diverse salinity habitats ranging from fresh water to marine environments. High-quality primary and phased genome assemblies were generated for pearlspot fish using PacBio HiFi and Arima HiC sequencing technologies, for the first time. The primary assembly is highly contiguous with contig N50 length of 36 Mb. The final assembly is of 1.247 Gb with N50 length of 51.57 Mb and 98% of the genome length anchored to 24 chromosomes. The genome was assessed to be 99.9% complete based on BUSCO evaluation and was predicted to contain 52.96% repeat elements. We have predicted 27,192 protein encoding genes, of which 21,580 were functionally annotated. The genome offers an invaluable resource to understand adaptation of pearlspot fish to diverse salinity habitats.
Analysis of multidimensional impacts of electric vehicles penetration in distribution networks
Authors: Ibrahim Rania A. , Gaber Ibrahim. M. , Zakzouk Nahla E.
Published: November 2024

Moving towards a cleaner, greener, and more sustainable future, expanding electric vehicles (EVs) adoption is inevitable. However, uncontrolled charging of EVs, especially with their increased penetration among the utility grid, imposes several negative technical impacts, including grid instability and deteriorated power quality in addition to overloading conditions. Hence, smart and coordinated charging is crucial in EV electrification, where Vehicle-to-Grid (V2G) technology is gaining much interest. Owing to its inherited capability of bi-directional power flow, V2G is capable of enhancing grid stability and resilience, load balancing, and congestion alleviation, as well as supporting renewable energy sources (RESs) integration. However, as with most emerging technologies, there are still technical research gaps that need to be addressed. In addition to these technical impacts, other multidisciplinary factors must be investigated to promote EVs adoption and V2G implementation. This paper provides a detailed demonstration of the technical problems associated with EVs penetration in distribution networks along with quantifiable insights into these limitations and the corresponding mitigation schemes. In addition, it discusses V2G benefits for power systems and consumers, as well as explores their technical barriers and research directions to adequately regulate their services and encourage EV’s owners to its embracement. Moreover, other factors, including regulatory, social, economic and environmental ones that affect EV market penetration are being studied and related challenges are analyzed to draw recommendations that aid market growth.
Reducing the effective dose of doxycycline using chitosan silver nanocomposite as a carriers on gram positive and gram-negative bacteria
Authors: Mostafa Elham M. , Badr Y. , Hashem M. M. , Abo-EL-Sooud K. , Faid Amna H.
Published: November 2024

Doxycycline (Doxy) is a tetracycline antibiotic with a potent antibacterial activity against a broad range of bacteria. Using nanotechnology is one feasible way to increase the antibiotics’ ability to penetrate the body and increase their antibacterial effectiveness. In this work, we report the formation of a stable green synthesized silver nanoparticles (AgNPs) by chitosan with Doxy nanocomposite for the first time. The obtained nanoparticles were characterized by transmission electron microscopy (TEM), zeta-potential, UV-Visible spectroscopy and four transform infrared spectroscopy (FTIRs). The antibacterial effect of doxy, AgNPs and doxy/AgNPs were determined on Gram-positive Staphylococcus aureus, Streptococcus mutans and Gram-negative Escherichia coli, Klebsiella pneumonia. This combined therapeutic agent restored the susceptibility of doxy and showed an antibacterial activity against tested bacteria. AgNPs has absorption peak at 445 nm, mixing of Doxy with AgNPs causes all doxy absorptions to red shift and a broadening in surface plasmon resonance (SPR) for AgNPs and show a slight increase in particle size of AgNPs from 12 ± 2 nm to 14 ± 2 nm with high stability as zeta potential was 29 mv and 48.5mv for AgNPs and Doxy/AgNPs respectively. The antibacterial effect of Doxy/AgNPs nanocomposite was found to be twice effect of free doxy, suggesting a synergistic interaction between the two components. In conclusion, synergy of doxy with AgNPs is quite promising for antibiotic resistant strains. These results highlight the ability of AgNPs to boost the efficacy of the doxycycline.
A novel nomogram for predicting non-infectious fever in patients following laparoscopic myomectomy
Authors: Zhu Yichen , Tan Juntao , Liu Lin-Kang , Tan Buzhen
Published: November 2024

This study aimed to develop and validate a novel nomogram to predict the risk of non-infectious fever (NIF) in patients following laparoscopic myomectomy. A retrospective analysis was conducted on data from patients who underwent laparoscopic myomectomy between 2019 and 2023. Pertinent variables before, during, and after surgery were collected. Multivariate logistic regression analysis identified independent risk factors for postoperative NIF, from which a nomogram was constructed. The study included 576 patients, among whom 64 (11.1%) developed postoperative NIF. Multivariate analysis identified leiomyoma size, number of leiomyomas, preoperative hemoglobin levels, operative time, and estimated blood loss as independent risk factors for postoperative NIF. A predictive nomogram model incorporating these factors demonstrated good accuracy following internal validation. The developed nomogram represents the first tool tailored for predicting NIF after laparoscopic myomectomy. Its implementation can assist clinicians in early identification of high-risk patients, facilitating timely preventive and management strategies.
Age and sex effects of a validated LC-MS/MS method for the simultaneous quantification of testosterone, allopregnanolone, and its isomers in human serum
Authors: Amir Hamzah Khalisa , Toms Leisa-Maree , Kucharski Nathaniel , Orr Julia , Hobson Peter , Nichols David S. , Ney Luke J.
Published: November 2024

Despite the great relevance of the neurosteroid allopregnanolone and related isomers to various health conditions, quantification typically involves immunoassay, which suffers from serious issues with cross-reactivity of closely related molecules. This article describes the development and partial validation of a liquid chromatography coupled with tandem mass spectrometry assay for the simultaneous quantification of allopregnanolone, pregnanolone, isopregnanolone, epi-allopregnanolone, and testosterone in the human serum of healthy males and females aged 5–85 years. 1-amino-4-methylpiperazine (AMP) was used as a derivatisation reagent to enhance the ionisation signal. Linearity was calculated at 0.99 with a lower limit of quantification of 10.08 pg/mL for allopregnanolone, along with a linearity of 0.98 and a lower limit of quantification of 42.32 pg/mL for testosterone. Application of the method showed sex and age effects across the lifespan for both allopregnanolone and testosterone, whereas a comparative immunoassay for allopregnanolone was not able to detect differences in the same samples. Our partial validation of this method should provide a new tool for researchers to discover the role of allopregnanolone and its isomers in human health, and how it compares to testosterone and sex hormones.
3D limb dynamics of flyball dogs turning on different box angles
Authors: Blake Scott , Blake Roberta
Published: November 2024

There are no regulations for the flyball box angulation, which ranges from 45° to 89°. As such at present, the box turn is deemed to represent the greatest injury risk to competitors. The aim of this study was to understand the influence of box angle on kinematic variables during a flyball turn, by comparing dogs turning on three different angulations of flyball box (45°, 60° and 83°) to allow for recommendations to be made regarding the most appropriate box design in terms of limiting risk of injury across the sport, to increase both wellbeing and safety for competitors. Turning on a 45° box generates significantly more flexion in the forelimbs and carpus, whereas turning on an 83° box generates greater degrees of extension in the elbow, shoulder, hock and stifle. What our 3D analysis has shown is that the relationship between box angle and the physical demands placed on the dog are complex, and related mainly to asymmetrical nature of the sport, and as such no one angle may be more or less suitable for training and competition, but the 60° seems to be a mid-ground, whereas direction of turn may be fundamental in generating the potential for injury.
Trends in extreme rainfall over the past 55 years suggest springtime subhourly rainfall extremes have intensified in Mahantango Creek, Pennsylvania
Authors: Buda Anthony R. , Millar David J. , Kennedy Casey D. , Welsh Molly K. , Wiegman Adrian R.H.
Published: November 2024

Extreme short-duration rainfall is intensifying with climate warming, and growing evidence suggests that subhourly rainfall extremes are increasing faster than more widely studied durations at hourly and daily timescales. In this case study, we used 55 years (1968–2022) of 5-min precipitation data from Mahantango Creek, a long-term experimental agricultural watershed in east-central Pennsylvania, United States, to examine annual and seasonal changes in subhourly (15-min), hourly, and daily rainfall extremes. Specifically, we evaluated temporal trends in the magnitude and frequency of subhourly, hourly, and daily rainfall extremes. We then estimated apparent scaling rates between rainfall extremes and dew point temperature (Td) and compared these rates to the Clausius-Clapeyron (CC) rate (∼ 7% per °C). We also determined the coincidence of extreme rainfall trends with indicators of atmospheric instability and convective-type precipitation. Overall, we found the most significant changes in rainfall extremes at 15-min durations during the spring, with magnitudes of these subhourly extremes increasing by 0.6 to 0.9% per year, and frequencies rising by 3.4% per year. Apparent scaling rates in the spring showed that 15-min rainfall extremes transitioned from sub-CC scaling to greater than 2CC scaling when Td reached 11° C, implying a possible shift from stratiform rains to more intense convective rains above this Td threshold. Notably, trends in maximum hourly convective available potential energy (CAPE) increased during spring, as did the ratio of 15-min rainfall extremes to their corresponding daily rainfall totals. Findings indicate that convective-type precipitation may be playing an increasing role in the intensification of springtime 15-min rainfall extremes in Mahantango Creek.
Study on the excess seeds removing performance of a potato precision seed metering device
Authors: Wang Jiarui , Liao Min , Su Chao , Chen Rui , Xia Hailong , Li Junju , Qiao Chenyang
Published: November 2024

In the potato mechanical planting industry, the high multi-seeding rate and miss-seeding rate are problems that exist in many potato precision seed metering devices. The main potato seeds in China are cut potatoes with different shapes and sizes. However, there is a lack of research on precision seeding technology for cut potatoes, and the adaptability of many existing potato seeding devices on cut potato is poor. The mechanized precision seeding of potato can effectively reduce labor consumption, improve the seeding effect (decrease multi-seeding rate and miss-seeding rate), improve the improve production of potato per acre and improve the quality commodity potatoes. In response to the above issues, a precision seed metering device with novel scoops, which can adapt to various sizes and shapes of cut potatoes, was developed. In this study, the different seed collecting scenarios (SCSs) were constructed. Through the statics and kinematic analysis, the excess seeds removing (ESR) process was divided in to three areas. The kinematic model of seed potato was established to study the influence of different SCSs and sprocket rotational speeds on the ESR performance, and preliminary determined the appropriate sprocket rotational speed range for ESR process. Then, the coupled simulation results of EDEM and RecurDyn revealed that different sprocket speeds and SCSs had a significant influence on the ESR performance. Finally, the bench tests and field tests were conducted to verify the actual performance of the precision seed metering device. The results showed that, with the increase of the sprocket rotational speed, the ESR performance of the device improved, the multi-seeding rate significantly decreased, but the miss-seeding rate increased. High sprocket rotational speed will remove more seed potatoes and cause high miss-seeding rate. The bench tests showed the appropriate sprocket rotational speed for medium and large potato was 35 r/ min. The field tests obtained the best qualified-seeding rate of 91.54%, the miss-seeding rate of 3.08% and the multi-seeding rate of 5.38%. This study can provide theoretical reference for the design of potato precision seed metering device.
Young adults’ circulating FGF23 and α-klotho and their relationship with habitual dietary acid load and phosphorus intake during growth
Authors: Franco Luciana Peixoto , Derakhshandeh-Rishehri Seyedeh-Masomeh , Nöthlings Ute , Hartmann Michaela F. , Herder Christian , Kalhoff Hermann , Wudy Stefan A. , Remer Thomas
Published: November 2024

The bone-derived hormone FGF23, primarily secreted by osteocytes, is a major player in the regulation of phosphate homeostasis. It becomes upregulated by increased circulating phosphate concentration, e.g. due to elevations in phosphorus intake (P-In) or alterations in habitual dietary acid load. The present study aimed to investigate whether long-term endogenous acid production or a habitual high phosphorus intake during childhood and adolescence may be prospectively related with altered adult levels of FGF23 and the FGF23-related metabolite α-klotho. Urinary phosphate excretion (PO4-Ex), net acid excretion (NAE), and potential renal acid load (uPRAL) were analyzed in 24-h urine samples (n = 3369) collected from 343 healthy 3–17 years old participants of the DONALD Study (Dortmund, Germany) to assess, biomarker-based, P-In and habitual dietary acid load. Circulating FGF23, α-klotho, and further blood parameters were additionally examined in young adulthood. Individual means of standard-deviation-scores were calculated for 24-h urinary biomarker excretions and anthropometrics longitudinally determined between ages 3–17 years. Multivariable linear regression was used to analyze the prospective relations of pre-adulthood PO4-Ex, NAE, and uPRAL with the adulthood outcomes FGF23 and α-klotho. After adjusting for growth period-related covariates and adulthood confounders only for P-In during growth, i.e., PO4-Ex, but not for NAE and uPRAL, a significant positive association (p = 0.03) with FGF23 and an inverse trend (p = 0.10) with the FGF23-α-klotho ratio were observed. Neither PO4-Ex, nor NAE or uPRAL were associated with soluble α-klotho levels in adulthood. The prospective relationships of long-term assessed 24-h phosphaturia and habitual dietary acid load during growth with adult circulating, phosphate-adjusted FGF23 strongly suggest that children´s habitually higher P-In does unfavorably affect adult FGF23–α-klotho axis.
Aridification and major geotectonic landscape change shaped an extraordinary species radiation across a world’s extreme elevational gradient
Authors: Villastrigo Adrián , Cooper Steven J. B. , Langille Barbara , Fagan-Jeffries Erinn P. , Humphreys William F. , Hendrich Lars , Balke Michael
Published: November 2024

Understanding the profound influence of climatic and tectonic histories on adaptation and speciation is a crucial focus in biology research. While voyages like Humboldt’s expedition shaped our understanding of adaptation, the origin of current biodiversity remains unclear – whether it arose in situ or through dispersal from analogous habitats. Situated in the geologically complex Australopacific region, our study focuses on Limbodessus diving beetles (Dytiscidae), a diverse genus distributed from underground aquifers in Western Australia to alpine meadows in New Guinea. Using low-coverage whole-genome sequencing, we established a time-calibrated phylogenetic tree, elucidating Limbodessus’ origin in the mid-late Miocene, most likely in the Sahul continent (i.e., Australia and New Guinea) and western Pacific archipelagos. Our results provide evidence for parallel colonization and speciation at extreme altitudinal ends, driven by aridification in Australia, influencing subterranean colonization, and in situ diversification of alpine taxa by passive-uplifting of local biota in New Guinea. Furthermore, our findings highlight instances of subterranean speciation in isolated underground aquifers, marked by recurrent independent colonizations of this habitat.
A three-way junction probe triggered CRISPR/Cas14a1 enhanced EXPonential amplification reaction for sensitive Pseudomonas aeruginosa detection
Authors: Yu Chen , Liu Yang , Zhang Wen , Yao Xiaoli
Published: November 2024

Pseudomonas aeruginosa (P. aeruginosa, PA) is a rod-shaped Gram-negative opportunistic bacterium capable of causing nosocomial infections, such as burn wound infections and meningitis.
A rhodamine based near-infrared fluorescent probe for selective detection of Cu2+ ions and its applications in bioimaging
Authors: Chang Zhijian , Li Shumeng , Ye Jia-Hai , Lin Fuyan , Chen Yuncong , Guo Zijian , Gong Xuedong
Published: November 2024

A novel near-infrared fluorescent probe TM2 based on a rhodamine-bearing framework was disclosed with a large Stokes shift (100 nm).
Lanthanum-doped nickel-based composite metal oxide catalyst for hydrogenation of isophthalonitrile to produce meta-xylenediamine
Authors: Shao Heng , Guo Jing , Li Rulong , Ji Dekun , Huang Long , Chu Haibin
Published: November 2024

Lanthanum-doped nickel-based composite metal oxide catalysts exhibited excellent activity in IPN hydrogenation reactions with remarkable stability in fixed-bed reactors.
Changing the reaction pathway of the CaAl2 oxidation using ball milling
Authors: Gießelmann Elias C. J. , Kickelbick Guido , Janka Oliver
Published: November 2024

CaAl2 was treated via ball milling to investigate the influence of the subsequent oxidation on the activated material. It was shown that a significantly different reaction pathway was observed.
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes
Authors: Ziółkowska Aleksandra , Kruczyński Tomasz , Gudat Dietrich , Ponikiewski Łukasz
Published: November 2024

Insertion of an NEt2 substituent on the phosphanyl phosphorus atom in phosphanylphosphaalkenes leads to weakening of the P–P bond and to the formation of novel ruthenium complexes with a phospaalkene ligand.
Scalable electrified cementitious materials production and recycling
Authors: Lu Xiao Kun , Zhang Wenxin , Ruggiero Brianna N. , Seitz Linsey C. , Li Jiaqi
Published: November 2024

Our electrochemical production uses carbon-free rocks, water electrolysis, and CO2 capture/circulation for carbon-neutral/negative cement and green H2, turning cement from the second-largest industrial CO2 emitter to a gigaton-scale CCUS enabler.
Efficient fully textured perovskite silicon tandems with thermally evaporated hole transporting materials
Authors: Kore Bhushan P. , Er-raji Oussama , Fischer Oliver , Callies Adrian , Schultz-Wittmann Oliver , Schulze Patricia S. C. , Bivour Martin , De Wolf Stefaan , Glunz Stefan W. , Borchert Juliane
Published: November 2024

Utilizing thermally evaporated hole transport layers (HTLs) in fully textured perovskite silicon tandem solar cells.
Consumption of carotenoid-rich Momordica cochinchinensis (Gac) aril improves glycemic control in type 2 diabetic mice partially through taste receptor type 1 mediated glucagon-like peptide 1 secretion
Authors: Hsieh Ying-Ying , Hou Wen-Chi , Hsu Su-Jung , Liaw Chia-Ching , Huang Cheng , Shih Meng-Chun Monica , Shen Yuh-Chiang , Chen Ying-Fang , Lee Ching-Kuo , Lee Oscar K. , Wu Chia-Chune , Lee I-Jung , Cheng Jing-Jy , Hou Yu-Chang , Liu Hui-Kang
Published: November 2024

Gac-aril with GLP-1 stimulatory effects can be used to improve glycemic control and β cell dysfunction in the treatment of type 2 diabetes.
A deep-ultraviolet nonlinear-optical material with a wide bandgap and large static dielectric polarizability coefficient: Na6Si3F18
Authors: Tang Changcheng , Jiang Xingxing , Wu Xiuyu , Gong Yuechen , Yang Chao , Guo Ruixin , Wang Panpan , Huang Yongming , Zhou Dakun , Chen Huaiming , Lin Zheshuai
Published: November 2024

A silicon-based NC DUV NLO material Na6Si3F18 has large bandgap of 10.45 eV and static dielectric polarizability coefficient 4.3 times that of quartz, and is potential for manufacturing an all-solid-state laser with a wavelength shorter than 120 nm.
Anticancer potential of copper(i) complexes based on isopropyl ester derivatives of bis(pyrazol-1-yl)acetate ligands
Authors: Pellei Maura , Santini Carlo , Caviglia Miriam , Del Gobbo Jo' , Battocchio Chiara , Meneghini Carlo , Amatori Simone , Donati Chiara , Zampieri Eleonora , Gandin Valentina , Marzano Cristina
Published: November 2024

In this paper, the isopropyl ester derivatives LOiPr and L2OiPr of bis(pyrazol-1-yl)acetic acid and bis(3,5-dimethyl-pyrazol-1-yl)acetic acid were used as chelators for the preparation of new Cu(i) phosphane complexes 1–4.
Dual-labelled polymeric micelles for singlet oxygen reporting in biological systems
Authors: Nakagawa Yasuhiro , Mizuno Hayato Laurence , Ushimaru Yuta , Norimatsu Jumpei , Igarashi Kazunori , Masuda Keita , Takai Madoka , Anraku Yasutaka , Cabral Horacio
Published: November 2024

Dually-labelled polymeric micelles allowed tracing both the probe location and the levels of singlet oxygen (1O2) in biological systems.
Hard carbon from a sugar derivative for next-generation sodium-ion batteries
Authors: Eren Enis Oğuzhan , Senokos Evgeny , Song Zihan , Mondal Brinti , Perju Audrey , Horner Tim , Yılmaz Elif Begüm , Scoppola Ernesto , Taberna Pierre-Louis , Simon Patrice , Antonietti Markus , Giusto Paolo
Published: November 2024

We report on the synthesis of a hard carbon from hydroxymethylfurfural, a sugar derivative, highlighting its excellent potential as an anode material for next-generation sodium-ion batteries.
Synthesis of N-benzyl pyridones from para-quinone methides (p-QMs) at room temperature: evaluation of in vitro blood-stage antiplasmodial activity
Authors: Venkatesh Rapelly , Gurukkalot Keerthana , Rajendran Vinoth , Kandasamy Jeyakumar
Published: November 2024

Synthesis of N-benzyl pyridones from para-quinone methides (p-QMs) and 2- or 4-hydroxy pyridines is presented. The synthesized N-benzyl pyridones displayed significant in vitro blood-stage antiplasmodial activity.
Iron-catalyzed ligand-free diazidation of alkenes controlled by the ratio of TBHP to TMSN3
Authors: Yu Hongzhou , Li Xingyu , Tang Shitong , He Qian , Jiang Mengchen , Li Xinyue , Fang Fang , Zhang Guoyu
Published: November 2024

An iron-catalyzed ligand-free diazidation of alkenes system has been established, providing straightforward access to vicinal diazides at room temperature with TMSN3 as the azido source. And the ratio of TBHP to TMSN3 was essential for the reaction.
π-Extended regioisomeric dithienoacene-fused pyrenes: structures, properties, and application in field-effect transistors
Authors: Lu Bin , Zhang Shiqian , Liu Dong , Jin Wendong , Li Dalin , Liu Zhiqiang , He Tao
Published: November 2024

The optoelectronic properties of two novel regioisomeric dithienoacene-fused pyrenes were investigated. 2-SS-PDTA exhibits superior single-crystal FET mobility up to 1.35 cm2 V−1 s−1, in contrast to the 0.18 cm2 V−1 s−1 for 1-SS-PDTA.
Intermolecular defluorinative 1,2-diamination of fluoroalkenyl iodides with sulfonamides: synthesis of acyclic and cyclic fluorinated 1,2-enediamines
Authors: Chu Xue-Qiang , Chen Yu-Lan , Zhang Chi , Huang Xue-Ying , Ding Yu , Ge Danhua , Shen Zhi-Liang
Published: November 2024

An intermolecular defluorinative vicinal diamination protocol employing fluoroalkenyl iodides and sulfonamides for the efficient synthesis of a series of acyclic and cyclic fluorinated 1,2-enediamines has been developed.
Synthesis of vanillin via oxidation of kenaf stalks in the presence of CeO2: tuning the catalytic behaviour of CeO2via nanostructure morphology
Authors: Ramli Anita , Khairul Anuar Nur Akila Syakida Idayu , Yunus Normawati Mohamad , Mohamed Alina Rahayu
Published: November 2024

A different form of CeO2 nanostructures gives a prevalence of specific crystalline facets which display different reactivity in various catalytic processes. By adapting the shape and size, certain crystal clear facets can be exposed, leading to different structural and redox properties.
Carrier behavior of a carbon material assisted TIPS-pentacene composite film for improvement of electrical conductivity
Authors: Bok Moonjeong , Lee Ju Ho , Won Kanghee , Lim Eunju
Published: November 2024

Organic semiconductor devices have a lower intrinsic carrier density than inorganic semiconductors, and improving their electrical conductivity is important for organic electronic devices.
A hierarchical surrogate approach to biomass ethanolysis reaction kinetic modelling
Authors: O'Shea Ailís , McNamara Conall , Rao Prajwal , Howard Mícheál , Ghanni Mohammad Reza , Dooley Stephen
Published: November 2024

The acid-catalysed ethanolysis of glucose, cellulose, xylan, and corncob is demonstrated at varying temperatures. A surrogate kinetic model captures reaction trends, providing a framework for biomass ethanolysis.
TcESTIME: predicting high-temperature hydrogen-based superconductors
Authors: Novoa Trinidad , di Mauro Matías E. , Inostroza Diego , El Haloui Kaoutar , Sisourat Nicolas , Maday Yvon , Contreras-García Julia
Published: November 2024

TcESTIME predicts critical temperatures of hydrogen-based superconductors from DFT electronic properties in a matter of seconds, integrating a complex-network algorithm, machine learning fit, and a user-friendly web interface.
Guest modulating the photoactivity of a titanium-oxide cage
Authors: Wang Dexin , Liu Yanshu , Zhang Guanyun , Chu Menghui , Gao Fangfang , Chen Guanjie , Wang Guo , Tung Chen-Ho , Wang Yifeng
Published: November 2024

Ti-oxide salicylate clusters with novel biloculate cages and exchangeable guests are reported. The guests influence the physiochemical properties and photocatalytic CO2/epoxide cycloaddition activities of the complexes.
Phase transition induced hydrogen activation for enhanced furfural reductive amination over a CoCu bimetallic catalyst
Authors: Wei Yilin , Ma Zixu , Liu Beibei , Yang Jialin , Wu Dan , Zhang Yongsheng , Zhang Yuexing , Xu Chunbao Charles , Nie Renfeng
Published: November 2024

Cu doping induces a phase transition of Co from hcp to fcc and results in the formation of electron-rich Co, thereby facilitating hydrogen dissociation and the subsequent reductive amination of furfural (FAL) at room temperature.
Photocatalytic 1,3-oxyheteroarylation of aryl cyclopropanes with azine N-oxides
Authors: Kim Doyoung , Ju Hyewon , Lee Wooseok , Hong Sungwoo
Published: November 2024

Developed a difunctionalization method for aryl cyclopropanes using azine N-oxides as bifunctional reagents, generating β-heteroaryl ketones. This method enables the use of previously challenging electron-deficient aryl cyclopropanes.
Exsolved LaNiRuO3 perovskite-based catalysts for CO2 methanation reaction
Authors: Alkhoori Ayesha A. , Komarala Eswaravara Prasadarao , Dabbawala Aasif A. , Hussien Aseel G. S. , Anjum Dalaver H. , Mao Samuel , Polychronopoulou Kyriaki
Published: November 2024

Exsolved perovskite-based catalysts exhibiting high and stable CO2 conversion rates.
Monte Carlo simulations of the temperature-dependent microstructure evolution of relaxor ferroelectric polymers
Authors: Guan Tong , He Quan-Ao , Chen Shuang
Published: November 2024

Our MC modeling provides a paradigm for the method development of complex relaxor ferroelectric and ferroelectric polymers.
Highly transparent all-perovskite luminescent solar concentrator/photovoltaic windows
Authors: Oh Seungju , Bae Sang Woo , Kim Tae Hyung , Kang Gumin , Jung Heesuk , Kim Young-Hoon , Park Minwoo
Published: November 2024

Series-connected perovskite solar cells are coupled with Mn:CsPbCl3 NCs/PS LSCs, exhibiting an optical efficiency of 5.38% and power conversion efficiency of 0.43% at G = 25 with suppressed PL reabsorption due to the large Stokes shift of the NCs.
High-performance, ambient-processable organic solar cells achieved by single terpene-based entirely eco-friendly process
Authors: Jeon Hyerin , Lee Jin-Woo , Bae Kihyun , Ngoc-Lan Phan Tan , Lim Chulhee , Choi Jaeyoung , Wang Cheng , Lee Seungjin , Kim Bumjoon J.
Published: November 2024

We developed entirely eco-friendly organic solar cells using eucalyptol (Eu) as a single terpene solvent, achieving a record-high PCE (15.1%). The Eu processing enables fabrication in air and enhances stability, promising for sustainable production.
Dopant-free tert-butyl Zn(ii) phthalocyanines: the impact of substitution on their photophysical properties and their role in perovskite solar cells
Authors: Gassara Mahdi , Garcés-Garcés José , Lezama Luis , Ortiz Javier , Fernández-Lázaro Fernando , Kazim Samrana , Sastre-Santos Ángela , Ahmad Shahzada
Published: November 2024

We synthesized molecular hole-transporting materials featuring a zinc phthalocyanine (ZnPc) central core and modulated the non-peripheral position with different numbers of tert-butyl groups.
ConCPDP: A Cross‐Project Defect Prediction Method Integrating Contrastive Pretraining and Category Boundary Adjustment
Authors: Song Hengjie , Pan Yufei , Guo Feng , Zhang Xue , Ma Le , Jiang Siyu
Published: November 2024

Software defect prediction (SDP) is a crucial phase preceding the launch of software products. Cross‐project defect prediction (CPDP) is introduced for the anticipation of defects in novel projects lacking defect labels. CPDP can use defect information of mature projects to speed up defect prediction for new projects. So that developers can quickly get the defect information of the new project, so that they can test the software project pertinently. At present, the predominant approaches in CPDP rely on deep learning, and the performance of the ultimate model is notably affected by the quality of the training dataset. However, the dataset of CPDP not only has few samples but also has almost no label information in new projects, which makes the general deep‐learning‐based CPDP model not ideal. In addition, most of the current CPDP models do not fully consider the enrichment of classification boundary samples after cross‐domain, leading to suboptimal predictive capabilities of the model. To overcome these obstacles, we present contrastive learning pretraining for CPDP (ConCPDP), a CPDP method integrating contrastive pretraining and category boundary adjustment. We first perform data augmentation on the source and target domain code files and then extract the enhanced data as an abstract syntax tree (AST). The AST is then transformed into an integer sequence using specific mapping rules, serving as input for the subsequent neural network. A neural network based on bidirectional long short‐term memory (Bi‐LSTM) will receive an integer sequence and output a feature vector. Then, the feature vectors are input into the contrastive module to optimise the feature extraction network. The pretrained feature extractor can be fine‐tuned by the maximum mean discrepancy (MMD) between the feature distribution of the source domain and the target domain and the binary classification loss on the source domain. This paper conducts a large number of experiments on the PROMISE dataset, which is commonly used for CPDP, to validate ConCPDP’s efficacy, achieving superior results in terms of F1 measure, area under curve (AUC), and Matthew’s correlation coefficient (MCC).
Enhancing data management and real‐time decision making with IoT, cloud, and fog computing
Authors: Al‐Atawi Abdullah A.
Published: November 2024

The convergence of Internet of Things (IoT), Cloud computing, and Fog computing, termed as Interconnected Intelligence (II), has revolutionised data management and real‐time decision‐making across various industries. This study introduces a hybrid architecture that integrates these technologies to optimise resource allocation, reduce latency, and improve decision accuracy. Unlike traditional models that rely heavily on centralised Cloud computing, our approach distributes computational tasks between IoT devices, Fog nodes, and Cloud servers, ensuring efficient real‐time processing closer to the data source. The proposed system demonstrated a 20%–30% reduction in latency compared to Cloud‐only architectures, and a 25% improvement in resource utilisation through dynamic load balancing between Fog and Cloud layers. Additionally, the system showed an increase in decision accuracy by 15%, enhancing real‐time decision‐making capabilities in critical applications such as industrial automation, healthcare, and smart urban environments. Data security and privacy were also significantly improved, achieving a 20% reduction in energy consumption by reducing reliance on centralised Cloud resources. These results were validated using real‐world datasets from industrial, healthcare, and urban environments, underscoring the architecture's capability to support large‐scale IoT deployments. Future research will focus on real‐world validation and the development of enhanced dynamic resource management techniques.
Variable structures in the stellar wind of the HMXB Vela X-1
Authors: Abalo L. , Kretschmar P. , Fürst F. , Diez C. M. , El Mellah I. , Grinberg V. , Guainazzi M. , Martínez-Núñez S. , Manousakis A. , Amato R. , Zhou M. , Beijersbergen M. W.
Published: November 2024

Context. Strong stellar winds are an important feature in wind-accreting high-mass X-ray binary (HMXB) systems. Exploring their structure provides valuable insights into stellar evolution and their influence on surrounding environments. However, the long-term evolution and temporal variability of these wind structures are not fully understood.

Aims. This work probes the archetypal wind-accreting HMXB Vela X-1 using the Monitor of All-sky X-ray Image (MAXI) instrument to study the orbit-to-orbit absorption variability in the 2 − 10 keV energy band across more than 14 years of observations. Additionally, the relationship between hardness ratio trends in different binary orbits and the spin state of the neutron star is investigated.

Methods. We calculated X-ray hardness ratios to track absorption variability, comparing flux changes across various energy bands, as the effect of absorption on the flux is energy-dependent. We assessed variability by comparing the hardness ratio trends in our sample of binary orbits to the long-term averaged hardness ratio evolution derived from all available MAXI data.

Results. Consistent with prior research, the long-term averaged hardness ratio evolution shows a stable pattern. However, the examination of individual binary orbits reveals a different hardness ratio evolution between consecutive orbits with no evident periodicity within the observed time span. We find that fewer than half of the inspected binary orbits align with the long-term averaged hardness evolution. Moreover, neutron star spin-up episodes exhibit more harder-than-average hardness trends compared to spin-down episodes, although their distributions overlap considerably.

Conclusions. The long-term averaged hardness ratio dispersion and evolution are consistent with absorption column densities reported in literature from short observations, indicating that a heterogeneous wind structure – from accretion wakes to individual wind clumps – likely drives these variations. The variability observed from orbit to orbit suggests that pointed X-ray observations provide limited insights into the overall behaviour of the wind structure. Furthermore, the link between the spin state of the neutron star and the variability in orbit-to-orbit hardness trends highlights the impact of accretion processes on absorption. This connection suggests varying accretion states influenced by fluctuations in stellar wind density.