bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective and stable CO2 electroreduction at high rates via control of local H2O/CO2 ratio
Authors: Chen Junmei , Qiu Haoran , Zhao Yilin , Yang Haozhou , Fan Lei , Liu Zhihe , Xi ShiBo , Zheng Guangtai , Chen Jiayi , Chen Lei , Liu Ya , Guo Liejin , Wang Lei 
Published: July 2024

AbstractControlling the concentrations of H2O and CO2 at the reaction interface is crucial for achieving efficient electrochemical CO2 reduction. However, precise control of these variables during catalysis remains challenging, and the underlying mechanisms are not fully understood. Herein, guided by a multi-physics model, we demonstrate that tuning the local H2O/CO2 concentrations is achievable by thin polymer coatings on the catalyst surface. Beyond the often-explored hydrophobicity, polymer properties of gas permeability and water-uptake ability are even more critical for this purpose. With these insights, we achieve CO2 reduction on copper with Faradaic efficiency exceeding 87% towards multi-carbon products at a high current density of −2 A cm−2. Encouraging cathodic energy efficiency (>50%) is also observed at this high current density due to the substantially reduced cathodic potential. Additionally, we demonstrate stable CO2 reduction for over 150 h at practically relevant current densities owning to the robust reaction interface. Moreover, this strategy has been extended to membrane electrode assemblies and other catalysts for CO2 reduction. Our findings underscore the significance of fine-tuning the local H2O/CO2 balance for future CO2 reduction applications.
Self-supervised learning for characterising histomorphological diversity and spatial RNA expression prediction across 23 human tissue types
Authors: Cisternino Francesco , Ometto Sara , Chatterjee Soumick , Giacopuzzi Edoardo , Levine Adam P. , Glastonbury Craig A. 
Published: July 2024

AbstractAs vast histological archives are digitised, there is a pressing need to be able to associate specific tissue substructures and incident pathology to disease outcomes without arduous annotation. Here, we learn self-supervised representations using a Vision Transformer, trained on 1.7 M histology images across 23 healthy tissues in 838 donors from the Genotype Tissue Expression consortium (GTEx). Using these representations, we can automatically segment tissues into their constituent tissue substructures and pathology proportions across thousands of whole slide images, outperforming other self-supervised methods (43% increase in silhouette score). Additionally, we can detect and quantify histological pathologies present, such as arterial calcification (AUROC = 0.93) and identify missing calcification diagnoses. Finally, to link gene expression to tissue morphology, we introduce RNAPath, a set of models trained on 23 tissue types that can predict and spatially localise individual RNA expression levels directly from H&E histology (mean genes significantly regressed = 5156, FDR 1%). We validate RNAPath spatial predictions with matched ground truth immunohistochemistry for several well characterised control genes, recapitulating their known spatial specificity. Together, these results demonstrate how self-supervised machine learning when applied to vast histological archives allows researchers to answer questions about tissue pathology, its spatial organisation and the interplay between morphological tissue variability and gene expression.
Diameter-dependent phase selectivity in 1D-confined tungsten phosphides
Authors: Jin Gangtae , Multunas Christian D. , Hart James L. , Kiani Mehrdad T. , Duong Nghiep Khoan , Sam Quynh P. , Wang Han , Cheon Yeryun , Hynek David J. , Han Hyeuk Jin , Sundararaman Ravishankar , Cha Judy J. 
Published: July 2024

AbstractTopological materials confined in 1D can transform computing technologies, such as 1D topological semimetals for nanoscale interconnects and 1D topological superconductors for fault-tolerant quantum computing. As such, understanding crystallization of 1D-confined topological materials is critical. Here, we demonstrate 1D template-assisted nanowire synthesis where we observe diameter-dependent phase selectivity for tungsten phosphides. A phase bifurcation occurs to produce tungsten monophosphide and tungsten diphosphide at the cross-over nanowire diameter regime of 35–70 nm. Four-dimensional scanning transmission electron microscopy is used to identify the two phases and to map crystallographic orientations of grains at a few nm resolution. The 1D-confined phase selectivity is attributed to the minimization of the total surface energy, which depends on the nanowire diameter and chemical potentials of precursors. Theoretical calculations are carried out to construct the diameter-dependent phase diagram, which agrees with experimental observations. Our findings suggest a crystallization route to stabilize topological materials confined in 1D.
Enhanced electrocatalytic biomass oxidation at low voltage by Ni2+-O-Pd interfaces
Authors: Pei An , Wang Peng , Zhang Shiyi , Zhang Qinghua , Jiang Xiaoyi , Chen Zhaoxi , Zhou Weiwei , Qin Qizhen , Liu Renfeng , Du Ruian , Li Zhengjian , Qiu Yongcai , Yan Keyou , Gu Lin , Ye Jinyu , Waterhouse Geoffrey I. N. , Huang Wei-Hsiang , Chen Chi-Liang , Zhao Yun , Chen Guangxu 
Published: July 2024

AbstractChallenges in direct catalytic oxidation of biomass-derived aldehyde and alcohol into acid with high activity and selectivity hinder the widespread biomass application. Herein, we demonstrate that a Pd/Ni(OH)2 catalyst with abundant Ni2+-O-Pd interfaces allows electrooxidation of 5-hydroxymethylfurfural to 2, 5-furandicarboxylic acid with a selectivity near 100 % and 2, 5-furandicarboxylic acid yield of 97.3% at 0.6 volts (versus a reversible hydrogen electrode) in 1 M KOH electrolyte under ambient conditions. The rate-determining step of the intermediate oxidation of 5-hydroxymethyl-2-furancarboxylic acid is promoted by the increased OH species and low C–H activation energy barrier at Ni2+-O-Pd interfaces. Further, the Ni2+-O-Pd interfaces prevent the agglomeration of Pd nanoparticles during the reaction, greatly improving the stability of the catalyst. In this work, Pd/Ni(OH)2 catalyst can achieve 100% 5-hydroxymethylfurfural conversion and >90% 2, 5-furandicarboxylic acid selectivity in a flow-cell and work stably over 200 h under a fixed cell voltage of 0.85 V.
Elucidating the catalytic mechanism of Prussian blue nanozymes with self-increasing catalytic activity
Authors: Feng Kaizheng , Wang Zhenzhen , Wang Shi , Wang Guancheng , Dong Haijiao , He Hongliang , Wu Haoan , Ma Ming , Gao Xingfa , Zhang Yu 
Published: July 2024

AbstractAlthough Prussian blue nanozymes (PBNZ) are widely applied in various fields, their catalytic mechanisms remain elusive. Here, we investigate the long-term catalytic performance of PBNZ as peroxidase (POD) and catalase (CAT) mimetics to elucidate their lifespan and underlying mechanisms. Unlike our previously reported Fe3O4 nanozymes, which exhibit depletable POD-like activity, the POD and CAT-like activities of PBNZ not only persist but slightly enhance over prolonged catalysis. We demonstrate that the irreversible oxidation of PBNZ significantly promotes catalysis, leading to self-increasing catalytic activities. The catalytic process of the pre-oxidized PBNZ can be initiated through either the conduction band pathway or the valence band pathway. In summary, we reveal that PBNZ follows a dual-path electron transfer mechanism during the POD and CAT-like catalysis, offering the advantage of a long service life.
A strategy for tough and fatigue-resistant hydrogels via loose cross-linking and dense dehydration-induced entanglements
Authors: Zhong Danming , Wang Zhicheng , Xu Junwei , Liu Junjie , Xiao Rui , Qu Shaoxing , Yang Wei 
Published: July 2024

AbstractOutstanding overall mechanical properties are essential for the successful utilization of hydrogels in advanced applications such as human-machine interfaces and soft robotics. However, conventional hydrogels suffer from fracture toughness-stiffness conflict and fatigue threshold-stiffness conflict, limiting their applicability. Simultaneously enhancing the fracture toughness, fatigue threshold, and stiffness of hydrogels, especially within a homogeneous single network structure, has proven to be a formidable challenge. In this work, we overcome this challenge through the design of a loosely cross-linked hydrogel with slight dehydration. Experimental results reveal that the slightly-dehydrated, loosely cross-linked polyacrylamide hydrogel, with an original/current water content of 87%/70%, exhibits improved mechanical properties, which is primarily attributed to the synergy between the long-chain structure and the dense dehydration-induced entanglements. Importantly, the creation of these microstructures does not require intricate design or processing. This simple approach holds significant potential for hydrogel applications where excellent anti-fracture and fatigue-resistant properties are necessary.
Recent advances in the pathogenesis and prevention strategies of dental calculus
Authors: Wei Yu , Dang Gao-peng , Ren Zhao-yang , Wan Mei-chen , Wang Chen-yu , Li Hong-bo , Zhang Tong , Tay Franklin R. , Niu Li-na 
Published: July 2024

AbstractDental calculus severely affects the oral health of humans and animal pets. Calculus deposition affects the gingival appearance and causes inflammation. Failure to remove dental calculus from the dentition results in oral diseases such as periodontitis. Apart from adversely affecting oral health, some systemic diseases are closely related to dental calculus deposition. Hence, identifying the mechanisms of dental calculus formation helps protect oral and systemic health. A plethora of biological and physicochemical factors contribute to the physiological equilibrium in the oral cavity. Bacteria are an important part of the equation. Calculus formation commences when the bacterial equilibrium is broken. Bacteria accumulate locally and form biofilms on the tooth surface. The bacteria promote increases in local calcium and phosphorus concentrations, which triggers biomineralization and the development of dental calculus. Current treatments only help to relieve the symptoms caused by calculus deposition. These symptoms are prone to relapse if calculus removal is not under control. There is a need for a treatment regime that combines short-term and long-term goals in addressing calculus formation. The present review introduces the mechanisms of dental calculus formation, influencing factors, and the relationship between dental calculus and several systemic diseases. This is followed by the presentation of a conceptual solution for improving existing treatment strategies and minimizing recurrence.
Susceptibility gene mutations in germline and tumors of patients with HER2-negative advanced breast cancer
Authors: Fasching Peter A. , Hu Chunling , Hart Steven N. , Ruebner Matthias , Polley Eric C. , Gnanaolivu Rohan D. , Hartkopf Andreas D. , Huebner Hanna , Janni Wolfgang , Hadji Peyman , Tesch Hans , Uhrig Sabrina , Ettl Johannes , Lux Michael P. , Lüftner Diana , Wallwiener Markus , Wurmthaler Lena A. , Goossens Chloë , Müller Volkmar , Beckmann Matthias W. , Hein Alexander , Anetsberger Daniel , Belleville Erik , Wimberger Pauline , Untch Michael , Ekici Arif B. , Kolberg Hans-Christian , Hartmann Arndt , Taran Florin-Andrei , Fehm Tanja N. , Wallwiener Diethelm , Brucker Sara Y. , Schneeweiss Andreas , Häberle Lothar , Couch Fergus J. 
Published: July 2024

AbstractGermline mutations in BRCA1 and BRCA2 (gBRCA1/2) are required for a PARP inhibitor therapy in patients with HER2-negative (HER2−) advanced breast cancer (aBC). However, little is known about the prognostic impact of gBRCA1/2 mutations in aBC patients treated with chemotherapy. This study aimed to investigate the frequencies and prognosis of germline and somatic BRCA1/2 mutations in HER2- aBC patients receiving the first chemotherapy in the advanced setting. Patients receiving their first chemotherapy for HER2- aBC were retrospectively selected from the prospective PRAEGNANT registry (NCT02338167). Genotyping of 26 cancer predisposition genes was performed with germline DNA of 471 patients and somatic tumor DNA of 94 patients. Mutation frequencies, progression-free and overall survival (PFS, OS) according to germline mutation status were assessed. gBRCA1/2 mutations were present in 23 patients (4.9%), and 33 patients (7.0%) had mutations in other cancer risk genes. Patients with a gBRCA1/2 mutation had a better OS compared to non-mutation carriers (HR: 0.38; 95%CI: 0.17–0.86). PFS comparison was not statistically significant. Mutations in other risk genes did not affect prognosis. Two somatic BRCA2 mutations were found in 94 patients without gBRCA1/2 mutations. Most frequently somatic mutated genes were TP53 (44.7%), CDH1 (10.6%) and PTEN (6.4%). In conclusion, aBC patients with gBRCA1/2 mutations had a more favorable prognosis under chemotherapy compared to non-mutation carriers. The mutation frequency of ~5% with gBRCA1/2 mutations together with improved outcome indicates that germline genotyping of all metastatic patients for whom a PARP inhibitor therapy is indicated should be considered.
High pressure suppression of plasticity due to an overabundance of shear embryo formation
Authors: Hamilton Brenden W. , Germann Timothy C. 
Published: July 2024

AbstractHigh pressure shear band formation is a critical phenomenon in energetic materials due to its influence on both mechanical strength and mechanochemical activation. While shear banding is known to occur in a variety of these materials, the governing dynamics of the mechanisms are not well defined for molecular crystals. We conduct molecular dynamics simulations of shock wave induced shear band formation in the energetic material 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) to assess shear band nucleation processes. We find, that at high pressures, the initial formation sites for shear bands, “embryos”, form in excess and rapidly lower deviatoric stresses prior to shear band formation and growth. This results in the suppression of plastic deformation. A local cluster analysis is used to quantify and contrast this mechanism with a more typical shear banding seen at lower pressures. These results demonstrate a mechanism that is reversible in nature and that supersedes shear band formation at increased pressures. We anticipate that these results will have a broad impact on the modeling and development of high-strain rate application materials such as those for high explosives and hypersonic systems.
Cancer mutationscape: revealing the link between modular restructuring and intervention efficacy among mutations
Authors: Plaugher Daniel , Murrugarra David 
Published: July 2024

AbstractThere is increasing evidence that biological systems are modular in both structure and function. Complex biological signaling networks such as gene regulatory networks (GRNs) are proving to be composed of subcategories that are interconnected and hierarchically ranked. These networks contain highly dynamic processes that ultimately dictate cellular function over time, as well as influence phenotypic fate transitions. In this work, we use a stochastic multicellular signaling network of pancreatic cancer (PC) to show that the variance in topological rankings of the most phenotypically influential modules implies a strong relationship between structure and function. We further show that induction of mutations alters the modular structure, which analogously influences the aggression and controllability of the disease in silico. We finally present evidence that the impact and location of mutations with respect to PC modular structure directly corresponds to the efficacy of single agent treatments in silico, because topologically deep mutations require deep targets for control.
Internal pipe corrosion assessment method in water distribution system using ultrasound and convolutional neural networks
Authors: Sung Yeongho , Jeon Hyeon-Ju , Kim Daehun , Kim Min-Seo , Choi Jaeyeop , Jo Hwan Ryul , Oh Junghwan , Lee O-Joun , Lim Hae Gyun 
Published: July 2024

AbstractInternal pipe corrosion within water distribution systems leads to iron oxide deposits on pipe walls, potentially contaminating the water supply. Consuming iron oxide-contaminated water can cause significant health issues such as gastrointestinal infections, dermatological problems, and lymph node complications. Therefore, non-destructive and continuous monitoring of pipe corrosion is imperative for water sustainability initiatives. This study introduces a dual-mode methodology utilizing advanced ultrasound technology and convolutional neural networks (CNN) to quantify pipe corrosion. Scanning acoustic microscopy (SAM) employs high-frequency ultrasound to generate high-resolution images of pipe thickness, indicating iron oxide accumulation. SAM also captures internal pipe data to measure iron oxide concentration in the water. This data, analyzed by CNN, achieves an impressive 95% accuracy. This dual-mode system effectively assesses both the extent of pipe corrosion and water contamination, exemplifying the successful integration of SAM and CNN for precise and reliable monitoring.
Effect of different MoS2 morphologies on the formation and performance of adsorptive-catalytic nanocomposite membranes
Authors: Al Momani Delal E. , Arshad Fathima , Taha Inas , Anjum Dalaver H. , Zou Linda 
Published: July 2024

AbstractThis study synthesized three MoS₂ morphologies—nanospheres, nanoplatelets, and nanosheets—under varied conditions and incorporated them into chitosan membranes. TEM confirmed unique morphologies and crystallinity. Clean water flux showed that the nanoplatelet (P-CM) membrane had the highest flux due to higher porosity. The P-CM membrane excelled in removing Mn²⁺ and Zn²⁺ ions, achieving 93.0 ± 0.5% and 90.4 ± 1.5% removal, outperforming membranes with nanospheres (S-CM) and nanosheets (T-CM). Its superior performance is attributed to thicker nanoplatelets forming more water channels. The MoS₂‘s tri-layered structure generated reactive oxygen species (ROS) via H₂O₂ catalysis, contributing to enhanced heavy metal removal. These adsorptive-catalytic membranes combine adsorption with catalytic decomposition of heavy metals, highlighting the work’s novelty and superior performance. The membranes demonstrated excellent flux recovery and reusability (96.0 ± 0.5% for P-CM) after chemical cleaning. The findings emphasize the impact of nanomaterial morphologies on membrane performance in water treatment and environmental remediation.
Tracing Opioids Across the US: A High-Resolution Pharmaceutical Distribution Dataset
Authors: Amico Ambra , Verginer Luca , Schweitzer Frank 
Published: July 2024

AbstractIn the field of pharmaceutical supply chains, there is a lack of comprehensive historical data, representing a significant barrier to advancing research. To address this gap, we introduce a high-resolution dataset comprising drug packages distributed to approximately 300,000 pharmacies, hospitals, and practitioners across the US. We reconstruct 375 million distribution paths from ARCOS, a DEA-maintained database comprising half a billion shipping records between 2006 and 2014. While ARCOS tracks dyadic shipments, it does not provide information on the complete journey of single packages from manufacturers to final destinations. Our algorithm is able to reconstruct complete distribution paths from these dyadic records. The reconstructed dataset, with its high temporal and spatial resolution, offers an unprecedented view of US pharmaceutical distribution and is a valuable resource for investigating supply and distribution networks.
Chromosome-level genome assembly of Hippophae rhamnoides variety
Authors: Yang Xingyu , Luo Shujie , Yang Shihai , Duoji Ciren , Wang Qianwen , Chen Zhiyu , Yang Danni , Yang Tianyu , Wan Xi , Yang Yunqiang , Liu Tianmeng , Yang Yongping 
Published: July 2024

AbstractFructus hippophae (Hippophae rhamnoides spp. mongolica×Hippophae rhamnoides sinensis), a hybrid variety of sea buckthorn that Hippophae rhamnoides spp. mongolica serves as the female parent and Hippophae rhamnoidessinensis serves as the male parent, is a traditional plant with great potentials of economic and medical values. Herein, we gained a chromosome-level genome of Fructus hippophae about 918.59 Mb, with the scaffolds N50 reaching 83.65 Mb. Then, we anchored 440 contigs with 97.17% of the total genome sequences onto 12 pseudochromosomes. Next, de-novo, homology and transcriptome assembly strategies were adopted for gene structure prediction. This predicted 36475 protein-coding genes, of which 36226 genes could be functionally annotated. Simultaneously, various strategies were used for quality assessment, both the complete BUSCO value (98.80%) and the mapping rate indicated the high assembly quality. Repetitive elements, which occupied 63.68% of the genome, and 1483600 bp of non-coding RNA were annotated. Here, we provide genomic information on female plants of a popular variety, which can provide data for pan-genomic construction of sea buckthorn and for the resolution of the mechanism of sex differentiation.
Transcriptomic and metabolomic data of goat ovarian and uterine tissues during sexual maturation
Authors: Wang Yanyan , Wang Jianmin , Li Qing , Xuan Rong , Guo Yanfei , He Peipei , Duan Qingling , Du Shanfeng , Chao Tianle 
Published: July 2024

AbstractThe ovaries and uterus are crucial reproductive organs in mammals, and their coordinated development ensures the normal development of sexual maturity and reproductive capacity. This study aimed to comprehensively capture the different physiological stages of the goat’s sexual maturation by selecting four specific time points. We collected samples of ovarian and uterine tissues from five female Jining Gray goats at each time point: after birth (D1), 2-month-old (M2), 4-month-old (M4), and 6-month-old (M6). By combining transcriptomic sequencing of 40 samples (including rRNA-depleted RNA-seq libraries with 3607.8 million reads and miRNA-seq libraries with 444.0 million reads) and metabolomics analysis, we investigated the transcriptomic mechanisms involved in reproductive regulation in the ovary and uterus during sexual maturation, as well as the changes in metabolites and their functional potential. Additionally, we analyzed blood hormone indices and uterine tissue sections to examine temporal changes. These datasets will provide a valuable reference for the reproductive regulation of the ovary and uterus, as well as the regulation of metabolites during sexual maturation in goats.
Tibetan Plateau Runoff and Evapotranspiration Dataset by an observation-constrained cryosphere-hydrology model
Authors: Fan Xinfeng , Wang Lei , Liu Hu , Chen Deliang , Song Lei , Wang Yuanwei , Qi Jia , Chai Chenhao , Liu Ruishun , Li Xiuping , Zhou Jing , Guo Xiaoyu , Long Junshui 
Published: July 2024

AbstractRunoff and evapotranspiration (ET) are pivotal constituents of the water, energy, and carbon cycles. This research presents a 5-km monthly gridded runoff and ET dataset for 1998–2017, encompassing seven headwaters of Tibetan Plateau rivers (Yellow, Yangtze, Mekong, Salween, Brahmaputra, Ganges, and Indus) (hereinafter TPRED). The dataset was generated using the advanced cryosphere-hydrology model WEB-DHM, yielding a Nash coefficient ranging from 0.77 to 0.93 when compared to the observed discharges. The findings indicate that TPRED’s monthly runoff notably outperforms existing datasets in capturing hydrological patterns, as evidenced by robust metrics such as the correlation coefficient (CC) (0.944–0.995), Bias (−0.68-0.53), and Root Mean Square Error (5.50–15.59 mm). Additionally, TPRED’s monthly ET estimates closely align with expected seasonal fluctuations, as reflected by a CC ranging from 0.94 to 0.98 when contrasted with alternative ET products. Furthermore, TPRED’s annual values exhibit commendable concordance with operational products across multiple dimensions. Ultimately, the TPRED will have great application on hydrometeorology, carbon transport, water management, hydrological modeling, and sustainable development of water resources.