bluuebunny/crossref_metadata_2025 huggingface dataset:
Cryptic population structure and insecticide resistance in Anopheles gambiae from the southern Democratic Republic of Congo
Authors: Dennis Tristan P. W. , Pescod Poppy , Barasa Sonia , Cerdeira Louise T. , Lucas Eric R. , Clarkson Chris S. , Miles Alistair , Asidi Alex , Manzambi Emile Z. , Metelo Emery , Zanga Josue , Nsalambi Steve , Irish Seth R. , Donnelly Martin James , Agossa Fiacre , Weetman David , Tezzo Francis Wat’senga
Published: September 2024

The Democratic Republic of Congo (DRC) suffers from one of the highest malaria burdens worldwide, but information on its Anopheles vector populations is relatively limited. Preventative malaria control in DRC is reliant on pyrethroid-treated nets, raising concerns over the potential impacts of insecticide resistance. We sampled Anopheles gambiae from three geographically distinct populations (Kimpese, Kapolowe and Mikalayi) in southern DRC, collecting from three sub-sites per population and characterising mosquito collections from each for resistance to pyrethroids using WHO tube bioassays. Resistance to each of three different pyrethroids was generally high in An. gambiae with < 92% mortality in all tests, but varied between collections, with mosquitoes from Kimpese being the most resistant. Whole genome sequencing of 165 An. gambiae revealed evidence for genetic differentiation between Kimpese and Kapolowe/Mikalayi, but not between the latter two sample sites despite separation of approximately 800 km. Surprisingly, there was evidence of population structure at a small spatial scale between collection subsites in Kimpese, despite separation of just tens of kilometres. Intra-population (H12) and inter-population (FST) genome scans identified multiple peaks corresponding to genes associated with insecticide resistance such as the voltage gated sodium channel (Vgsc) target site on chromosome 2L, a Cyp6 cytochrome P450 cluster on chromosome arm 2R, and the Cyp9k1 P450 gene on chromosome X. In addition, in the Kimpese subsites, the P450 redox partner gene Cpr showed evidence for contemporary selection (H12) and population differentiation (FST) meriting further exploration as a potential resistance associated marker.
Prevalence of onychomycosis among psoriasis patients: a clinico-mycological and dermoscopic comparative cross sectional study
Authors: Abdo Hamed M. , Hassab-El-Naby Hussein M. , Bashtar Mohamed R. , Hasan Mohamed S. , Elsaie Mohamed L.
Published: September 2024

Onychomycosis, a nail infection caused by dermatophytes, yeast, and molds makes up roughly half of all onychopathies and is the most prevalent nail condition in the world. Clinically, nail psoriasis and onychomycosis can frequently be difficult to distinguish from one another. To assess the prevalence of onychomycosis in patients with psoriasis. Fifty patients with psoriasis associated with nail disease were included in this study. After taking clinical history, nail samples were gathered for dermoscopic inspection, culture, direct microscopy with 20% KOH solution, and nail clipping with PAS stain. Of the 50 patients recruited, 43 were males and 7 were females, with mean age 6–71 years (mean ± SD 44.06 ± 16.2). Eleven patients (22%) tested positive for onychomycosis. Dermatophytes were isolated from 2% of patients, yeast from 14% of patients, and non-dermatophytic mold from 38% of patients. Histopathological results revealed fungal hyphae and spores in 18% of patients. The most prevalent dermoscopic sign in psoriatic patients with onychomycosis was spikes (81.8%) with statistical significance (P-value < 0.001), while nail pitting was the most prevalent dermoscopic feature in nail psoriasis. This study lays the way for an accurate diagnosis of nail lesions by highlighting the significance of cooperation between mycology, histology, and dermoscopy in the diagnosis of onychomycosis in patients with nail psoriasis.
Follicular mediated etodolac phosalosomal gel for contact dermatitis alleviation, insights from optimization to in-vivo appraisal
Authors: Abo Aasy Noha Khalifa , Ragab Doaa , Sallam Marwa Ahmed , Elkhodairy Kadria A.
Published: September 2024

Despite its long history as a preferential cyclooxygenase-2 inhibitor, the topical application of etodolac in inflammatory disorders does not achieve the desired clinical efficiency because of its poor water solubility and poor skin permeation. In the ongoing study, phosalosomes were designed to mitigate the etodolac drawbacks and to enhance its skin localization. Hyaluronic acid was utilized to prepare a dermal gel for the alleviation of skin inflammation. Etodolac loaded hyaluronic acid phosalosomal gel had a sustainable release profile and 10.59-fold enhanced skin retention compared to free etodolac, with boosted skin tolerability on histopathological examination after acute and chronic applications. Confocal laser microscopy imaging indicated that the etodolac amounts accumulated in the liver and kidney following dermal application were 29 and 5.7-fold lower than those following the systemic dose, respectively. For in vivo studies, etodolac loaded hyaluronic acid phosalosomal gel presented superior anti-oedemic and significant anti-nociception potential. The promising homogenous localization highlighted its potential for the delivery of lipophilic drugs for the targeted treatment of other localized skin disorders.
Phenotypic and genotypic characterization of Enterococcus faecalis and Enterococcus faecium isolated from fish, vegetables, and humans
Authors: Mubarak Asmaa Gaber , El-Zamkan Mona Ahmed , Younis Waleed , Saleh Sahar Osman , Abd-Elhafeez Hanan H. , Yoseef Asmaa Gahlan
Published: September 2024

Enterococci, common hospital-acquired infections in immunocompromised patients, have garnered attention in clinical microbiology. To determine the clinical relevance of enterococci as food-borne pathogens, 116 fish, 90 vegetables, and 120 human diarrheal samples were tested for E. faecalis and E. faecium pathogenicity. Conventionally, 69 of 326 (21.17%) samples were positive for Enterococcus species, 52 (15.95%) of which were molecularly classified as E. faecalis and 13 (3.99%) as E. faecium. The E. faecalis contamination percentage of fresh fish (19.70%) was higher than frozen fish (4%). Cauliflower had the highest E. faecalis percentage (16.67%) when fish and vegetable samples didn’t harbor the E. faecium atpA gene. 23.33% and 10.83% of participants’ samples were molecularly confirmed as E. faecalis and E. faecium positive, respectively. E. faecalis isolates had all virulence genes, with gels being the most common (65.38%), while cylA and asa1 genes couldn’t be detected in E. faecium isolates. E. faecalis showed the highest resistance against vancomycin and tetracycline (69.23%), whereas E. faecium extremely resisted tetracycline (76.92%) and erythromycin (69.23%) with the recognition of MDR among 44.2% of E. faecalis and 38.5% of E. faecium isolates. The great similarity of our isolates showed the clinical importance of food-borne antibiotic-resistant enterococci.
Notch1 Phase Separation Coupled Percolation facilitates target gene expression and enhancer looping
Authors: Foran Gregory , Hallam Ryan Douglas , Megaly Marvel , Turgambayeva Anel , Antfolk Daniel , Li Yifeng , Luca Vincent C. , Necakov Aleksandar
Published: September 2024

The Notch receptor is a pleiotropic signaling protein that translates intercellular ligand interactions into changes in gene expression via the nuclear localization of the Notch intracellular Domain (NICD). Using a combination of immunohistochemistry, RNA in situ, Optogenetics and super-resolution live imaging of transcription in human cells, we show that the N1ICD can form condensates that positively facilitate Notch target gene expression. We determined that N1ICD undergoes Phase Separation Coupled Percolation (PSCP) into transcriptional condensates, which recruit, enrich, and encapsulate a broad set of core transcriptional proteins. We show that the capacity for condensation is due to the intrinsically disordered transcriptional activation domain of the N1ICD. In addition, the formation of such transcriptional condensates acts to promote Notch-mediated super enhancer-looping and concomitant activation of the MYC protooncogene expression. Overall, we introduce a novel mechanism of Notch1 activity in which discrete changes in nuclear N1ICD abundance are translated into the assembly of transcriptional condensates that facilitate gene expression by enriching essential transcriptional machineries at target genomic loci.
A feasibility study on predicting cow calving time over 40 h in advance using heart rate and financial technical indicators
Authors: Kishi Shigeki , Kojima Tomoki , Huang Chen-Yu , Yayou Ken-ichi , Fujioka Kouki
Published: September 2024

In dairy farming, the uncertainty of cow calving date often imposes waiting costs for days on farmers. Improving the accuracy of calving date prediction would mitigate these costs, specifically before a few days of the event. We monitored and analyzed the heart rate patterns of eight pregnant cows in the days leading up to calving using a dedicated monitoring device. We decomposed the heart rate data into three distinct components: trend, daily cycle, and the remainder, and discovered that the heart rate trend exhibited a sharp decline more than 40 h before the calving event via the trend turning point. To detect the turning point, we applied common financial technical indicators traditionally used to identify turning points of asset prices in trading markets for the extracted heart rate trend. This study remains a feasibility study because of the limited observations, but it indicates that these indicators can effectively capture the trend’s turning point in real time, offering a promising approach for enhanced calving prediction. In addition to discussing the practical implications for cow management, we also contemplate the broader utility of these technical indicators in the context of various dynamic scientific data analyses.
Collaborative weighting in federated graph neural networks for disease classification with the human-in-the-loop
Authors: Hausleitner Christian , Mueller Heimo , Holzinger Andreas , Pfeifer Bastian
Published: September 2024

The authors introduce a novel framework that integrates federated learning with Graph Neural Networks (GNNs) to classify diseases, incorporating Human-in-the-Loop methodologies. This advanced framework innovatively employs collaborative voting mechanisms on subgraphs within a Protein-Protein Interaction (PPI) network, situated in a federated ensemble-based deep learning context. This methodological approach marks a significant stride in the development of explainable and privacy-aware Artificial Intelligence, significantly contributing to the progression of personalized digital medicine in a responsible and transparent manner.
FGFR2-fusions define a clinically actionable molecular subset of pancreatic cancer
Authors: Stein Leah , Murugesan Karthikeyan , Reeser Julie W. , Risch Zachary , Wing Michele R. , Paruchuri Anoosha , Samorodnitsky Eric , Hoskins Emily L. , Dao Thuy , Smith Amy , Le Dat , Babcook Melissa A. , Chang Yi Seok , Avenarius Matthew R. , Imam Muhammad , Freud Aharon G. , Roychowdhury Sameek
Published: September 2024

Genomic alterations in fibroblast growth factor receptor (FGFR) genes are present in a small number of metastatic pancreatic ductal adenocarcinomas (PDAC) and may represent an emerging subgroup of patients likely to benefit from FGFR targeted therapies. Here we present four FGFR2 fusion-positive metastatic PDAC patients who exhibited durable responses or disease control to FGFR kinase inhibitors. Utilizing our custom FGFR focused cell-free DNA assay, FGFR-Dx, we serially monitored variant allele fractions of FGFR2 fusions during FGFR inhibitor treatment and observed dynamic changes correlating with clinical responses. Genomic analysis of 30,229 comprehensively profiled pancreatic cancers revealed FGFR1-3 fusions in 245 cases, an incidence of 0.81%. FGFR fusions were generally mutually exclusive from other known oncogenes. Our findings provide clinical evidence for identifying and treating FGFR2 fusion-positive PDAC patients with FGFR targeted therapy.
Microreserves are an important tool for amphibian conservation
Authors: Steigerwald Emma , Chen Julia , Oshiro Julianne , Vredenburg Vance T. , Catenazzi Alessandro , Koo Michelle S.
Published: September 2024

Initiatives to protect 30% of Earth by 2030 prompt evaluation of how to efficiently target shortcomings in the global protected area (PA) network. Focusing on amphibians, the most vulnerable vertebrate class, we illustrate the conservation value of microreserves, a term we employ here to refer to reserves of <10 km2. We report that the network continues to under-represent threatened amphibians and that, despite this clear shortcoming in land-based conservation, the creation of PAs protecting amphibians slowed after 2010. By proving something previously assumed–that amphibians generally have smaller ranges than other terrestrial vertebrates–we demonstrate that microreserves could protect a substantial portion of many amphibian ranges, particularly threatened species. We find existing microreserves are capable of hosting an amphibian species richness similar to PAs 1000–10,00X larger, and we show that amphibians’ high beta diversity means that microreserves added to a growing PA network cover amphibian species 1.5—6x faster than larger size categories. We propose that stemming global biodiversity loss requires that we seriously consider the conservation potential of microreserves, using them to capture small-range endemics that may otherwise be omitted from the PA network entirely.
Trade-offs between grassland plant biodiversity and yields are heterogenous across Germany
Authors: Schulz Dario , Stetter Christian , Muro Javier , Spekker Jonas , Börner Jan , Cord Anna F. , Finger Robert
Published: September 2024

Grasslands are key for food security and provide important ecosystem services. Intensive management, such as frequent mowing, increases productivity but decreases other ecosystem services as well as plant biodiversity. We here estimate large scale effects of mowing frequency on plant species richness and provide spatial assessments of yield-species richness trade-offs. We use a unique, multisource remote sensing-based dataset covering all permanent agricultural grassland fields across Germany (N = 1,313,073) over four years to estimate the causal impact of mowing frequency, as a proxy of grassland management intensity, on plant species richness. We identify spatially explicit and heterogeneous treatment effects using generalized random forests. We find that more frequent mowing significantly reduces plant species richness, but these effects vary by environmental and socioeconomic context. We quantify the trade-offs between species richness and yield due to changes in mowing frequency, finding an average cost of 126 euros per additional plant species, and demonstrate how spatial targeting can improve the cost-effectiveness of a hypothetical conservation policy, reducing this cost to 51 euros per species. Motivated by the 30 by 30 goal to protect 30% of terrestrial ecosystems by 2030, we further estimate opportunity cost of marginally extensifying 30% of German grasslands to be 131–181 million euros annually, depending on targeting priorities.
Manipulating Fe(ii) spin states to achieve higher anti-tumor cell activities in multinuclear complexes
Authors: Yao Nian-Tao , Liu Qiang , Ma Jun-Wei , Du Xiu-Mei , Ru Jing , Jiang Jiao-Jiao , Zhao Liang , Meng Yin-Shan
Published: September 2024

Two multinuclear complexes {FeII2L2[PdII(CN)4]2}·2H2O were synthesized. Through meticulous adjustment of the ligand structures, diverse spin states are achieved at room temperature, showing different antitumor effects in vitro.
Monitoring of trace oxytetracycline using a porphyrin-MOF layer-based electrochemical aptasensor
Authors: Li Ping , Zhang Shan , Xi Jie , Kong Xinying , He Hongming , Li Cheng-Peng , Guo Feng
Published: September 2024

A porphyrin-MOF nanolayer-based electrochemical aptasensor was constructed to detect trace oxytetracycline with high sensitivity, outstanding selectivity, good stability, and fine reproducibility.
A strongly coupled oxide-support heterostructure for efficient acidic water oxidation
Authors: Chen Hongjun , Deng Liming , Liu Shuyi , Hu Feng , Li Linlin , Ren Jianwei , Peng Shengjie
Published: September 2024

Interfacial coupling and oxygen vacancy dual engineering in RuO2/MnCo2O4.5 regulates the electronic structure of RuO2, enhancing the intrinsic activity and durability of the catalyst and achieving rapid kinetics in overall water splitting.
Nanostructured Fe2TiO5 photoanode with enhanced photoelectrochemical water splitting performance by Zn2+ doping and FeNi(OH)x cocatalyst deposition
Authors: Chen Deshun , Duan Mengna , Wang Meng , Ma Wei , Zhang Xinglei , Wu Xiaofeng
Published: September 2024

Combining heteroatom doping and cocatalyst deposition by facile electrospray offers an effective strategy for developing high performance photoanode.
Metal–organic framework-derived materials for enhanced performance of aqueous zinc ion batteries: a mini review
Authors: Yang Junjie , Gu Xingxing , Xu Chenxuan , Li Jun , Wen Binbin , Si Linjun , Shen Weifeng , Chen Kai , Zhang Xiaoke , Liu Yiqing , Lin Xiaoming , Wu Yongbo , Yang Huachao
Published: September 2024

An overview of different kinds of cathode and anode materials and their advantages for AZIBs.
Photoinduced irreversible transformation from elastic to bent brittle crystals: importance of the reaction pathway in the irreversibility of the molecular movement
Authors: Munthikkot Shilpa , Tothadi Srinu , Joseph Sumy
Published: September 2024

A fluorescent chalcone single crystal that exhibits reversible and irreversible bending in response to external mechanical and UV-light stimuli respectively is reported. The mechanism is discussed at the molecular level.
Insight into ion dynamics in a NaClO4-doped polycaprolactone solid polymer electrolyte for solid state batteries
Authors: Shetty Supriya K. , Ismayil  , Nayak Pradeep , Sudhakar Y. N. , Mishra Kuldeep , Bashir Shahid , Subramaniam Ramesh
Published: September 2024

Employing low Tg polymers has fundamental limitations in providing the desirable ionic conductivity at ambient temperature due to the freezing of chain dynamics.
Strain-tunable electronic anisotropy of the AlSb double-layer honeycomb structure
Authors: Liu Hongsheng , Li Yaning , Chen Rui , Zhao Yuanyuan , Gao Junfeng
Published: September 2024

An inversion of band order near the bottom of the conduction band can be induced by uniaxial strain. Small carrier effective mass and strain tunable electronic anisotropy pave the way for the application of AlSb in future nanoelectronic devices.
Rotational conformers and nuclear spin isomers of carbonyl diisothiocyanate
Authors: Gougoula Eva , Pfeiffer Jonathan , Schnell Melanie , Tambornino Frank
Published: September 2024

A high-resolution rotational spectroscopy study of the rotational conformers and nuclear spin isomerism of carbonyl diisothiocyanate, a reactive compound that is composed of bosons exclusively.
Eu3+ singly-doped and Eu3+/Sm3+ co-doped ZnS quantum dots: structure, optical properties and energy transfer
Authors: Thuy N. T. M. , Huong T. T. T. , Hien N. T. , Luyen N. T. , Kien N. T. , Van N. T. K. , Tan P. M. , Vinh N. D. , Ngoc T. , Ca N. X.
Published: September 2024

Illustration of the energy level scheme of Eu3+/Sm3+ ions and the energy transfer process from Sm3+ to Eu3+ ions.
Enhancing electrochemical reactions in organic synthesis: the impact of flow chemistry
Authors: Regnier Morgan , Vega Clara , Ioannou Dimitris I. , Noël Timothy
Published: September 2024

Utilizing electrons directly offers significant potential for advancing organic synthesis by facilitating novel reactivity and enhancing selectivity under mild conditions.
Axial ligand-induced high electrocatalytic hydrogen evolution activity of molecular cobaloximes in homo- and heterogeneous medium
Authors: Yadav Jitendra Kumar , Singh Baghendra , Mishra Anjali , Pal Sarvesh Kumar , Singh Nanhai , Lama Prem , Indra Arindam , Kumar Kamlesh
Published: September 2024

Molecular chlorocobaloximes were synthesized, and their crystal structures were reported. These complexes demonstrated enhanced electrocatalytic HER activity in basic medium, achieving a current density of −10 mA cm−2 at an overpotential of 262 mV.
Three peak metamaterial broadband absorbing materials based on ZnSe-Cr-InAs stacked disk arrays
Authors: Chen Boyi , Ma Can , Sun Tangyou , Song Qianju , Bian Liang , Yi Zao , Hao Zhiqiang , Tang Chaojun , Wu Pinghui , Zeng Qingdong
Published: September 2024

The infrared band metamaterial wideband absorber has a bandwidth of 10.30 μm for greater than 90% absorptivity from 5.71–16.01 μm and the average absorptivity is 97.2%.
Efficient hydrogenation of ketones over the diaminophosphino manganese complex
Authors: Zhang Yu , Li Bin , Wang Tao , Duan Ning , Zheng Jianwei , Li Hao , Zhang Fengjun , Fang Xiaolong
Published: September 2024

Tetradentate diaminophosphine ligand-coordinated manganese complexes exhibit enhanced catalytic efficiency in the hydrogenation of aromatic, aliphatic and heterocyclic ketones.
Harnessing trace water for enhanced photocatalytic oxidation of biomass-derived alcohols to aldehydes
Authors: Xue Wenhua , Ye Jian , Zhu Zhi , Kumar Reeti , Zhao Jun
Published: September 2024

The presence of moderate water volume enhances the photocatalytic oxidation of 5-hydroxymethylfurfural in acetonitrile, consistently observed across various catalysts and substrates, highlighting its potential for broad application in photocatalysis.
Synthesis of α-methylene-δ-valerolactone and its selective polymerization from a product mixture for concurrent separation and polymer production
Authors: Khechfe Alexander A. , Eckstrom Francesca D. , Chokkapu Eswara Rao , Baston Lucas A. , Liu Bowei , Chen Eugene Y.-X. , Román-Leshkov Yuriy
Published: September 2024

We report the continuous, gas-phase synthesis of α-methylene-δ-valerolactone (MVL) from δ-valerolactone (DVL) and formaldehyde (FA) over alkaline earth oxide catalysts.
Solid phase peptide synthesis using side-chain unprotected arginine and histidine with Oxyma Pure/TBEC in green solvents
Authors: Fantoni Tommaso , Orlandin Andrea , Di Stefano Ilaria , Macis Marco , Tolomelli Alessandra , Ricci Antonio , Cabri Walter , Ferrazzano Lucia
Published: September 2024

Oxyma Pure/TBEC coupling protocol in green solid phase peptide synthesis (GSPPS) eliminates protective groups on Arg and His, enhancing atom economy and reducing impurities during cleavage. The technology was extended to side-chain-free Tyr and Trp.
Simultaneous determination of the oxygen isotope ratio and volatile composition of apatite with high lateral resolution via nano-secondary-ion mass spectrometry
Authors: Chen Youwei , Gao Jianfeng , Bi Xianwu , Dong Shaohua , Lei Quanliang , Hu Ruizhong
Published: September 2024

A high lateral resolution method for the simultaneous analysis of the O isotope ratio and volatile composition of apatite has been proposed. It is characterized by not only time efficiency but also data robustness.
A multiplexed tension sensor reveals the distinct levels of integrin-mediated forces in adherent cells
Authors: Liu Xiaojun , Li Jiangtao , Wang Xiaoyun , Shao Feng , Hu Xingyou , Li Juan , Yu Lei , Zang Jicheng , Wang Guixue , Wang Yongliang
Published: September 2024

High-motile fish keratocytes exhibited integrin-mediated forces ranging from 44 to 100 pN, whereas low-motile 3T3L1 and NRK cells generated integrin-mediated forces exceeding 100 pN.
Highly-sensitive detection and efficient recovery of silver ions by water-soluble sulfur quantum dots
Authors: Jia Xinjie , Lei Wei , Jiang Weijia , Wang Yugao
Published: September 2024

In the reported detection and exploration experiment, precipitation was found, which enabled the research on silver ion recovery, integrating detection and recovery with greatly improved efficiency.
Development of drug-induced gastrointestinal injury models based on ANN and SVM algorithms and their applications in the field of natural products
Authors: Zhang Wenqing , Zhou Mengjiao , Yan Xingxu , Chen Siyu , Qian Wenxiu , Zhang Yue , Zhang Xinyue , Jia Guoxiang , Zhao Shan , Yao Yaqi , Li Yubo
Published: September 2024

The broad use of natural products and the accompanied incidences of gastrointestinal injury have attracted considerable interest in investigating the responsible toxic ingredients.
Luminescent metal nanoclusters and their application in bioimaging
Authors: Fei Wenwen , Tang Sheng-Yan , Li Man-Bo
Published: September 2024

This review focuses on the structure–property correlation and bioimaging application of luminescent metal nanoclusters, which feature atomically precise structures, diverse optical properties and excellent biocompatibility.
Liquid crystal-mediated self-assembly of copper nanoclusters with induced circular dichroism and amplified circularly polarized luminescence
Authors: Li Shulin , Feng Ning , Sun Mengdi , Sha Yuxiang , Xin Xia , Zhao Hui , Li Hongguang
Published: September 2024

A schematic representation of the incorporation of chiral metal NCs into lyotropic LCs to accomplish chirality transfer to the LC matrix. By adjusting the concentrations of TX-100 and G-SH-Cu NCs, chirality reversal can be effectively regulated.
A review of the synthetic strategies toward the antiviral drug tecovirimat
Authors: Bonku Emmanuel Mintah , Qin Hongjian , Odilov Abdullajon , Abduahadi Safomuddin , Guma Samuel Desta , Zhu Fuqiang , Shen Jingshan
Published: September 2024

Synthesis approaches for tecovirimat API, highlighting pros and cons, summarizing processes for key intermediates, including cycloheptatriene, and evaluating feasibility, efficiency, and environmental sustainability.
gem-Difluoroallene (DFA): an emerging versatile synthetic precursor to enable diverse fluorinated molecules
Authors: Sathish Kota , Jain Swati , Sihag Naveen , Yadav M. Ramu
Published: September 2024

This review article presents a comprehensive overview of the latest progress in utilizing gem-difluoroallenes for selective additions, defluorination, as well as cycloaddition and cyclization reactions.
Electrochemical sulfonylation/Truce–Smiles rearrangement of N-allylbenzamides: toward sulfone-containing β-arylethylamines and Saclofen analogues
Authors: Meyer Sébastien , Neuhut Alexandre , Claraz Aurélie
Published: September 2024

A practical electrochemical sulfonylation-triggered Truce–Smiles rearrangement of N-allylbenzamides yielded sulfone- and sulfonic acid-containing β-arylethylamines under mild and oxidant-free reaction conditions.
Synthesis of dinuclear pyridyl-amido hafnium and zirconium complexes toward olefin polymerization with unexpected stereospecificity and ultra-high molecular weight capability
Authors: Xing Yanhong , Liu Shaofeng , Li Zhibo
Published: September 2024

Dinuclear syn-Hf2 exerts an unexpected stereospecificity toward propylene polymerization and affords ultra-high molecular weight atactic polypropylene as a thermoplastic elastomer.
Bioinspired electron carrier mediated transmembrane photocatalytic hydrogen evolution in silica colloidosomes
Authors: Bai Chengkun , Wang Bingdi , Jiang Zhengshun , Lv Chunying , Liu Zhenning , Wang Shiyu , Liang Song , Zang Hongying
Published: September 2024

A bioinspired photocatalytic system with an inorganic compartment is designed and fabricated for H2 evolution. The system enables sustained evolution of hydrogen with a higher yield than that in control catalysis in a bulk catalyst suspension.
Deep self-reconstruction of CoF2 to hierarchically defective Co(OH)2 nanosheets for electrocatalytic reduction of nitrate to ammonia
Authors: Huang Yong , Xing Bo , Liu Qian , Sun Shengjun , Xie Lisi , Li Xiaolei , Li Tingshuai , Sun Xuping , Alshehri Abdulmohsen Ali , Kong Qingquan , Liu Xiaonan
Published: September 2024

Hierarchical Co(OH)2 nanosheets with abundant defects in situ reconstructed from the “pre-catalyst” of a CoF2 array. They are highly selective and active electrocatalysts for nitrate reduction into ammonia with a large yield of 0.62 mmol h−1 cm−2.
Influences of topography on nitrate export from forested watersheds on Yakushima Island, a Natural World Heritage site
Authors: Shinozuka Ken'ichi , Nagafuchi Osamu , Nakazawa Koyomi , Tsunogai Urumu , Nakagawa Fumiko , Tetsuka Kenshi , Tetsuka Natsumi , Ebise Senichi
Published: September 2024

Long-term monitoring of nitrate ions and topographical control of atmospheric nitrate in forest river waters of Yakushima Island, a Natural World Heritage site.
Unveiling multifunctional inhibitors: holistic spectral, electronic and molecular characterization, coupled with biological profiling of substituted pyridine derivatives againstLD transpeptidase,heme oxygenaseandPPAR gamma
Authors: Begum Shaik Yasmin , Imran Predhanekar Mohamed , Kubaib Attar , Yassin Mohamed Taha , Al-Otibi Fatimah O. , Selvakumaran M. , Basha A. Aathif , Sulthanudeen S.
Published: September 2024

Phenyl substituted pyridine compounds having fused pyrazole carboxylic acid derivatives.
A point of care sensor for detection of alcohols, aldehydes and esters in urinary metabolites of war veterans injured by sulfur mustard
Authors: Bordbar Mohammad Mahdi , Nobakht M. Gh. Fatemeh , Sheini Azarmidokht , Alborz Maryam , Parvin Shahram , Ghanei Mostafa , Kulahlioglu Neslihan , Samadinia Hosein , Bagheri Hasan
Published: September 2024

To discriminate between different alcoholic, aldehyde, and ester species in urine samples of war veterans who exposed with sulfur mustard with healthy people, a paper-based colorimetric sensor array is introduced.
Intermolecular sulfur atom transfer cascade enabled late-stage introduction of sulfilimines into peptides
Authors: He Zeyuan , Liu Yuyang , Bao Guangjun , Li Yiping , Zhao Xiufang , Zuo Quan , Li Kai , Sun Wangsheng , Wang Rui
Published: September 2024

A method of introducing sulfilimines fragment such as drugs, natural products, bioactive handles, and fluorescent tags into peptides at their acid sites was disclosed via an intermolecular sulfur atom transfer cascade reaction, both in the homogeneous phase and/or on-resins in SPPS.
Convolutional neural networks applied to differential dynamic microscopy reduces noise when quantifying heterogeneous dynamics
Authors: Martinez Gildardo , Siu Justin , Dang Steven , Gage Dylan , Kao Emma , Avila Juan Carlos , You Ruilin , McGorty Ryan
Published: September 2024

Quantifying dynamics in non-equilibrium systems is challenged by the competing demands of fine temporal resolution and of sufficient time averaging to reduce noise. We address this by combining differential dynamic microscopy and machine learning.
Emergent mesoscale correlations in active solids with noisy chiral dynamics
Authors: Shee Amir , Henkes Silke , Huepe Cristián
Published: September 2024

We present the linear response theory for an elastic solid composed of active Brownian particles with intrinsic individual chirality, deriving both a normal mode formulation and a continuum elastic formulation.
Negative capacitance based on isomeric polythiophene in action
Authors: Kumar Devendra , Tiwari Rudramani , Verma Dipendra Kumar , Yadav Shashikant , Parwati Km. , Rai Rajshree , Adhikary Pubali , Krishnamoorthi S.
Published: September 2024

Series arrangement causes enhancement in total capacitance.
Oxidative cleavage of β-O-4 bonds in lignin model compounds with polymer-supported Ni–Salen catalysts
Authors: Liu Qiongli , Yang Dianyong , Zhao Xiuge , Xu Zhiwei , Ding Ji , Wu Danqi , An Ning , Liao Huiying , Hou Zhenshan
Published: September 2024

The polymerized Salen-Ni(ii) complex can catalyze oxidative cleavage of the lignin model compounds into high-value aromatic chemicals without any base additive.
Assembly-enhanced indocyanine green nanoparticles for fluorescence imaging-guided photothermal therapy
Authors: Li Shukun , Li Yudong , Shi Mengqian , Xing Ruirui , Van Hest Jan C. M. , Yan Xuehai
Published: September 2024

Indocyanine green nanoparticles are formed through co-assembly with an amino acid derivative, achieving both its fluorescence and photothermal properties on nanoplatforms for fluorescence imaging-guided photothermal therapy against tumors.
Thermal enhancement of the upconversion luminescence of Zn2+ ion-doped KYb(MoO4)2:Er3+ phosphors for multimode temperature sensing
Authors: Hu Junshan , Zhu Daobin , Wu Yuxiang , Guo Keyu , Ding Changchun , Fan Rangrang , Dong Chunfeng , Jin Wei , Liu Yongtao
Published: September 2024

KYb(MoO4)2:Er3+,Zn2+ exhibit multi-mode emission and thermal enhancement (TE). The proposed the TE mechanism and optical thermometry (OT) method open up a new way for UCL intensity TE theory and OT.
Tipping the Scales: Indiscriminate Use of Interval Scales to Rate Diverse Dysarthric Features
Authors: Stipancic Kaila L. , Whelan Brooke-Mai , Laur Lauren , Zhao Yunxin , Rohl Andrea , Choi Inyong , Kuruvilla-Dugdale Mili
Published: September 2024

Purpose:

Error related to incorrect use of rating scales is problematic in the assessment and treatment of dysarthria. The main purpose of this project was to determine scale fit for cardinal speech features of hypokinetic dysarthria. A secondary aim was to determine rater reliability for the two different scales explored.

Method:

Forty-three speakers with Parkinson's disease (PD) and 25 neurologically healthy control talkers were recorded reading sentences from the Speech Intelligibility Test. Twenty-two healthy female listeners used both an equal appearing interval (EAI) scale and a direct magnitude estimation (DME) scale to rate five perceptual speech features (i.e., overall speech severity, articulatory imprecision, reduced loudness, short rushes of speech, and monotony) from these recordings. Regression analyses were used to determine the linearity of the relationship between the means of the EAI and DME ratings. Inter- and intrarater reliability was calculated using intraclass correlation coefficients and Spearman's correlation coefficients, respectively, for both EAI and DME ratings.

Results:

There was a linear relationship between EAI and DME means for monotony, indicating it is a metathetic dimension. Curvilinear relationships were observed between the EAI and DME means for the other four features, indicating prothetic dimensions. Intra- and interrater reliability values were similar for EAI and DME ratings.

Discussion:

Overall, results of this work suggest that DME is the best fit for scaling several hypokinetic dysarthria features, and not the conventionally used EAI scale. Prothetic dimensions best scaled by DME include overall speech severity, articulatory imprecision, reduced loudness, and short rushes of speech. Monotony was the only feature found to be a metathetic dimension and would be best scaled using EAI or DME. Findings call for rethinking the widespread use of EAI scales for rating perceptual features as part of the assessment and treatment of motor speech disorders.
Efficient provable dual receiver hybrid and light weight public key schemes based on the discrete logarithm problem without pairings
Authors: Abouelkheir Eman
Published: September 2024

Dual‐receiver proxy re‐encryption is a cryptographic technique that enables secure data sharing among multiple authorized users or entities. It has gained significant attention for its ability to manage access permissions, data confidentiality, and streamline communication channels. These schemes have been widely used in various applications, including healthcare systems, cloud computing, Internet of Things (IoT) systems, collaborative environments, and secure communication channels. This paper aims to propose two proxy re‐encryption schemes for dual receivers without pairings. The first is dual receiver lightweight proxy re‐encryption without pairings (DR‐LWPRE‐WP), which uses a public key scheme to reduce computational complexity. The second is dual receiver hybrid proxy re‐encryption without pairings (DR‐HPRE‐WP), which incorporates public key and symmetric key schemes. Both schemes offer protection against selected plaintext attacks based on the decisional Diffie‐Hellman principle. The DR‐LWPRE‐WP scheme reduces computation by approximately 53% compared to pairing‐based schemes, making it suitable for lightweight applications like the Internet of Things. The computational efficacy of these schemes offers significant benefits for resource‐constrained environments and practical implementations.
Ship target detection in SAR images based on SimAM attention YOLOv8
Authors: Xu Yuqiao , Du Wei , Deng Lewu , Zhang Yi , Wen Wanli
Published: September 2024

Deep learning has been widely applied in ship detection in synthetic aperture radar (SAR) imagery due to their powerful feature representation capabilities. However, YOLOv8 models treat all regions of the image equally during convolutional feature processing, resulting in less‐than‐ideal outcomes. To address this limitation, this study proposes a simple, parameter‐free attention module (SimAM) attention‐based YOLOv8 algorithm for ship detection in SAR images. The proposed algorithm first passes through a backbone network, which incorporates SimAM attention modules. The SimAM attention mechanism successfully allocates the convolutional neural network's 3D weights effectively using an energy function method, without introducing additional parameters. This mechanism enables the network to automatically emphasize key features in the image, enhancing its ability to represent target areas and suppress background interference. Subsequently, deep features are upsampled and fused with relatively shallow features to extract features at three different scales and achieve target detection, ultimately outputting classification and positional information of the targets. The effectiveness of the model on the SAR‐ship‐dataset is experimentally validated achieving an mAP50 value of 97.72% and an mAP50‐95 value of 68.99%, confirming the superiority of the proposed model.
The Galaxy Activity, Torus, and Outflow Survey (GATOS)
Authors: García-Bernete I. , Rigopoulou D. , Donnan F. R. , Alonso-Herrero A. , Pereira-Santaella M. , Shimizu T. , Davies R. , Roche P. F. , García-Burillo S. , Labiano A. , Hermosa Muñoz L. , Zhang L. , Audibert A. , Bellocchi E. , Bunker A. , Combes F. , Delaney D. , Esparza-Arredondo D. , Gandhi P. , González-Martín O. , Hönig S. F. , Imanishi M. , Hicks E. K. S. , Fuller L. , Leist M. , Levenson N. A. , Lopez-Rodriguez E. , Packham C. , Ramos Almeida C. , Ricci C. , Stalevski M. , Villar Martín M. , Ward M. J.
Published: September 2024

This study analyses JWST MIRI/MRS observations of the infrared (IR) polycyclic aromatic hydrocarbon (PAH) bands in the nuclear (∼0.4″ at 11 μm; ∼75 pc) and circumnuclear regions (inner ∼kpc) of local active galactic nuclei (AGNs) from the Galactic Activity, Torus, and Outflow Survey (GATOS). We examine the PAH properties in the circumnuclear regions of AGNs and the projected direction of AGN-outflows and compare them to those in star-forming regions and the innermost regions of AGNs. This study employs 4.9–28.1 μm sub-arcsecond angular resolution data to investigate the properties of PAHs in three nearby sources (DL ∼ 30 − 40 Mpc). Our findings are aligned with previous JWST studies, demonstrating that the central regions of AGNs display a larger fraction of neutral PAH molecules (i.e. elevated 11.3/6.2 and 11.3/7.7 μm PAH ratios) in comparison to star-forming galaxies. We find that AGNs might affect not only the PAH population in the innermost region, but also in the extended regions up to ∼kpc scales. By comparing our observations to PAH diagnostic diagrams, we find that, in general, regions located in the projected direction of the AGN-outflow occupy similar positions on the PAH diagnostic diagrams as those of the innermost regions of AGNs. Star-forming regions that are not affected by the AGNs in these galaxies share the same part of the diagram as star-forming galaxies. We also examined the potential of the PAH-H2 diagram to disentangle AGN-versus-star-forming activity. Our results suggest that in Seyfert-like AGNs, the illumination and feedback from the AGN might affect the PAH population at nuclear and kpc scales, particularly with respect to the ionisation state of the PAH grains. However, PAH molecular sizes are rather similar. The carriers of the ionised PAH bands (6.2 and 7.7 μm) are less resilient than those of neutral PAH bands (11.3 μm), which might be particularly important for strongly AGN-host coupled systems. Therefore, caution must be applied when using PAH bands as star-formation rate indicators in these systems even at kpc scales, with the effects of the AGN being more important for ionised ones.
Mapping radial abundance gradients with Gaia-ESO open clusters
Authors: Palla M. , Magrini L. , Spitoni E. , Matteucci F. , Viscasillas Vázquez C. , Franchini M. , Molero M. , Randich S.
Published: September 2024

Context. Recent evidence from spectroscopic surveys points towards the presence of a metal-poor, young stellar population in the low- α, chemically thin disk. In this context, the investigation of the spatial distribution and time evolution of precise, unbiased abundances is fundamental to disentangle the scenarios of formation and evolution of the Galaxy.

Aims. We study the evolution of abundance gradients in the Milky Way by taking advantage of a large sample of open star clusters, which are among the best tracers for this purpose. In particular, we used data from the last release of the Gaia-ESO survey.

Methods. We performed a careful selection of open cluster member stars, excluding those members that may be affected by biases in spectral analysis. We compared the cleaned open cluster sample with detailed chemical evolution models for the Milky Way, using well-tested stellar yields and prescription for radial migration. We tested different scenarios of Galaxy evolution to explain the data, namely, the two-infall and the three-infall frameworks, which suggest the chemical thin disk is formed by one or two subsequent gas accretion episodes, respectively.

Results. With the performed selection in cluster member stars, we still find a metallicity decrease between intermediate-age (1 < Age/Gyr < 3) and young (Age < 1 Gyr) open clusters. This decrease cannot be explained in the context of the two-infall scenario, even by accounting for the effect of migration and yield prescriptions. The three-infall framework, with its late gas accretion in the last 3 Gyr, is able to explain the low metallic content in young clusters. However, we have invoked a milder metal dilution for this gas infall episode relative to previous findings.

Conclusions. To explain the observed low metallic content in young clusters, we propose that a late gas accretion episode triggering a metal dilution would have taken place, extending the framework of the three-infall model for the first time to the entire Galactic disk.
MAMBO: An empirical galaxy and AGN mock catalogue for the exploitation of future surveys
Authors: López-López X. , Bolzonella M. , Pozzetti L. , Salvato M. , Bisigello L. , Feltre A. , López I. E. , Viitanen A. , Allevato V. , Bongiorno A. , Girelli G. , Buchner J. , Charlot S. , Ricci F. , Schreiber C. , Zamorani G.
Published: September 2024

Context. Current and future large surveys will produce unprecedented amounts of data. Realistic simulations have become essential for the design and development of these surveys, as well as for the interpretation of the results.

Aims. We present MAMBO, a flexible and efficient workflow to build empirical galaxy and active galactic nucleus (AGN) mock catalogues that reproduce the physical and observational properties of these sources.

Methods. We started with simulated dark matter (DM) haloes, to preserve the link with the cosmic web, and we populated them with galaxies and AGN using abundance matching techniques. We followed an empirical methodology, using stellar mass functions, host galaxy AGN mass functions, and AGN accretion rate distribution functions studied at different redshifts to assign, among other properties, stellar masses, the fraction of quenched galaxies, or the AGN activity (demography, obscuration, multiwavelength emission, etc.).

Results. As a proof test, we applied the method to a Millennium DM lightcone of 3.14 deg2 up to a redshift of z = 10 and down to stellar masses of ℳ ≳ 1075 M⊙. We show that the AGN population from the mock lightcone presented here reproduces with good accuracy various observables, such as state-of-the-art luminosity functions in the X-ray up to z~7 and in the ultraviolet up to z~5, optical/near-infrared colour-colour diagrams, and narrow emission line diagnostic diagrams. Finally, we demonstrate how this catalogue can be used to make useful predictions for large surveys. Using Euclid as a case example, we compute, among other forecasts, the expected surface densities of galaxies and AGN detectable in the Euclid HE band. We find that Euclid might observe (on HE only) about 107 and 8 × 107 type 1 and 2 AGN, respectively, and 2 × 109 galaxies at the end of its 14 679 deg2 Wide survey, in good agreement with other published forecasts.
Spiral excitation in protoplanetary disks through gap-edge illumination
Authors: Muley Dhruv , Melon Fuksman Julio David , Klahr Hubert
Published: September 2024

The advent of high-resolution, near-infrared (NIR) instruments such as VLT/SPHERE and Gemini/GPI has helped uncover a wealth of substructure in planet-forming disks, including large, prominent spiral arms in MWC 75 8, SAO 206462, and V1247 Ori. In the classical theory of disk-planet interaction, these arms are consistent with Lindblad-resonance driving by companions of multiple Jupiter masses. Despite improved detection limits, evidence for massive bodies like this in connection with spiral substructure has been inconclusive. In search of an alternative explanation, we used the PLUTO code to run 3D hydrodynamical simulations with two comparatively low planet masses (Saturn mass and Jupiter mass) and two thermodynamic prescriptions (three-temperature radiation hydrodynamics, and the more traditional β-cooling) in a low-mass disk. In the radiative cases, an m = 2 mode, potentially attributable to the interaction of stellar radiation with gap-edge asymmetries, creates an azimuthal pressure gradient, which in turn gives rise to prominent spiral arms in the upper layers of the disk. Monte Carlo radiative transfer post-processing with RADMC3D revealed that in NIR scattered light, these gap-edge spirals are significantly more prominent than the traditional Lindblad spirals for planets in the mass range we tested. Our results demonstrate that even intermediate-mass protoplanets, which are less detectable, but more ubiquitous than super-Jupiters, are capable of indirectly inducing large-scale spiral disk features, and underscore the importance of including radiation physics in any efforts to reproduce observations.
Effect of a PFAS solution on short-term behaviour of a LLDPE and an HPDE geomembrane
Authors: Daciolo Leonardo V. P. , Rowe R. Kerry
Published: September 2024

Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals formed by carbon chains where fluorine atoms replace one or more hydrogen atoms. These bonds are extremely stable and PFAS components are known to be persistent environmental contaminants. The impact of these contaminants on two geomembranes is studied. Specifically, the short-term behaviour of a linear-low density LLDPE and a high-density HDPE polyethylene geomembrane immersed in a PFAS solution at an evaluated temperature is examined after 6.5 months of ageing. Results are presented for a PFAS solution with each priority component at 20 ppm or 1 ppm, a control solution (deionized water with CaCO3 28 ppm), and an MSW leachate solution at two representative temperatures of landfills (65°C and 85°C). Results show significant depletion of oxidative induction time (OIT) due to the consumption of antioxidants present in these materials. The values obtained suggest the need to consider the potential impacts of PFAS on the performance of geomembranes used in barrier systems.