bluuebunny/crossref_metadata_2025_split huggingface dataset:
Harnessing strong aromatic conjugation in low-dimensional perovskite heterojunctions for high-performance photovoltaic devices
Authors: Li Bo , Liu Qi , Gong Jianqiu , Li Shuai , Zhang Chunlei , Gao Danpeng , Chen Zhongwei , Li Zhen , Wu Xin , Zhao Dan , Yu Zexin , Li Xintong , Wang Yan , Lu Haipeng , Zeng Xiao Cheng , Zhu Zonglong 
Published: March 2024

AbstractLow-dimensional/three-dimensional perovskite heterojunctions have shown great potential for improving the performance of perovskite photovoltaics, but large organic cations in low-dimensional perovskites hinder charge transport and cause carrier mobility anisotropy at the heterojunction interface. Here, we report a low-dimensional/three-dimensional perovskite heterojunction that introduces strong aromatic conjugated low-dimensional perovskites in p-i-n devices to reduce the electron transport resistance crossing the perovskite/electron extraction interface. The strong aromatic conjugated π-conjugated network results in continuous energy orbits among [Pb2I6]2− frameworks, thereby effectively suppressing interfacial non-radiative recombination and boosting carrier extraction. Consequently, the devices achieved an improved efficiency to 25.66% (certified 25.20%), and maintained over 95% of the initial efficiency after 1200 hours and 1000 hours under ISOS-L-1I and ISOS-D-1 protocols, respectively. The chemical design of strong aromatic conjugated molecules in perovskite heterojunctions provides a promising avenue for developing efficient and stable perovskite photovoltaics.
Structural basis of Acinetobacter type IV pili targeting by an RNA virus
Authors: Meng Ran , Xing Zhongliang , Chang Jeng-Yih , Yu Zihao , Thongchol Jirapat , Xiao Wen , Wang Yuhang , Chamakura Karthik , Zeng Zhiqi , Wang Fengbin , Young Ry , Zeng Lanying , Zhang Junjie 
Published: March 2024

AbstractAcinetobacters pose a significant threat to human health, especially those with weakened immune systems. Type IV pili of acinetobacters play crucial roles in virulence and antibiotic resistance. Single-stranded RNA bacteriophages target the bacterial retractile pili, including type IV. Our study delves into the interaction between Acinetobacter phage AP205 and type IV pili. Using cryo-electron microscopy, we solve structures of the AP205 virion with an asymmetric dimer of maturation proteins, the native Acinetobacter type IV pili bearing a distinct post-translational pilin cleavage, and the pili-bound AP205 showing its maturation proteins adapted to pilin modifications, allowing each phage to bind to one or two pili. Leveraging these results, we develop a 20-kilodalton AP205-derived protein scaffold targeting type IV pili in situ, with potential for research and diagnostics.
Automated mitotic spindle hotspot counts are highly associated with clinical outcomes in systemically untreated early-stage triple-negative breast cancer
Authors: Leon-Ferre Roberto A. , Carter Jodi M. , Zahrieh David , Sinnwell Jason P. , Salgado Roberto , Suman Vera J. , Hillman David W. , Boughey Judy C. , Kalari Krishna R. , Couch Fergus J. , Ingle James N. , Balkenhol Maschenka , Ciompi Francesco , van der Laak Jeroen , Goetz Matthew P. 
Published: March 2024

AbstractOperable triple-negative breast cancer (TNBC) has a higher risk of recurrence and death compared to other subtypes. Tumor size and nodal status are the primary clinical factors used to guide systemic treatment, while biomarkers of proliferation have not demonstrated value. Recent studies suggest that subsets of TNBC have a favorable prognosis, even without systemic therapy. We evaluated the association of fully automated mitotic spindle hotspot (AMSH) counts with recurrence-free (RFS) and overall survival (OS) in two separate cohorts of patients with early-stage TNBC who did not receive systemic therapy. AMSH counts were obtained from areas with the highest mitotic density in digitized whole slide images processed with a convolutional neural network trained to detect mitoses. In 140 patients from the Mayo Clinic TNBC cohort, AMSH counts were significantly associated with RFS and OS in a multivariable model controlling for nodal status, tumor size, and tumor-infiltrating lymphocytes (TILs) (p < 0.0001). For every 10-point increase in AMSH counts, there was a 16% increase in the risk of an RFS event (HR 1.16, 95% CI 1.08–1.25), and a 7% increase in the risk of death (HR 1.07, 95% CI 1.00–1.14). We corroborated these findings in a separate cohort of systemically untreated TNBC patients from Radboud UMC in the Netherlands. Our findings suggest that AMSH counts offer valuable prognostic information in patients with early-stage TNBC who did not receive systemic therapy, independent of tumor size, nodal status, and TILs. If further validated, AMSH counts could help inform future systemic therapy de-escalation strategies.
Improving HIC resistance of pipe-steel by Ti/Mg treatment with insights into hydrogen migration
Authors: Peng Zhixian , Liu Jing , Hu Rongzhe , Zhang Shiqi , Huang Feng , Xue Zhengliang 
Published: March 2024

AbstractThe presence of inclusions in steels is responsible for hydrogen-induced cracking (HIC), which necessitates control over their size and distribution. The aims of this study are to investigate the effects of different inclusion-modifying elements on steels, as well as reveal the impact of inclusions on hydrogen migration. Various methods, including HIC evaluation, electrochemical hydrogen permeation, silver microprint, and in-situ hydrogen escape observation, are utilized. The results indicate that steel with a Ti/Mg content ratio of 4:1 exhibits favorable comprehensive resistance against HIC. Moreover, the observation of in-situ hydrogen escape observations reveals that steels with a higher number of hydrogen bubbles and a higher ratio of bubbles related to the inclusions demonstrate better HIC resistance. The refined, dispersed, and multi-compounded inclusions facilitate the formation of more complex trapping sites, ultimately improving the dispersion and pinning of dissociative hydrogen atoms. Consequently, employing a multicomponent inclusion modification strategy holds promise for the development of hydrogen-resistant pipeline steel.
Genotype–phenotype correlation in PRKN-associated Parkinson’s disease
Authors: Menon Poornima Jayadev , Sambin Sara , Criniere-Boizet Baptiste , Courtin Thomas , Tesson Christelle , Casse Fanny , Ferrien Melanie , Mariani Louise-Laure , Carvalho Stephanie , Lejeune Francois-Xavier , Rebbah Sana , Martet Gaspard , Houot Marion , Lanore Aymeric , Mangone Graziella , Roze Emmanuel , Vidailhet Marie , Aasly Jan , Gan Or Ziv , Yu Eric , Dauvilliers Yves , Zimprich Alexander , Tomantschger Volker , Pirker Walter , Álvarez Ignacio , Pastor Pau , Di Fonzo Alessio , Bhatia Kailash P. , Magrinelli Francesca , Houlden Henry , Real Raquel , Quattrone Andrea , Limousin Patricia , Korlipara Prasad , Foltynie Thomas , Grosset Donald , Williams Nigel , Narendra Derek , Lin Hsin-Pin , Jovanovic Carna , Svetel Marina , Lynch Timothy , Gallagher Amy , Vandenberghe Wim , Gasser Thomas , Brockmann Kathrin , Morris Huw R. , Borsche Max , Klein Christine , Corti Olga , Brice Alexis , Lesage Suzanne , Corvol Jean Christophe ,   French Parkinson disease Genetics Study Group (PDG)
Published: March 2024

AbstractBi-allelic pathogenic variants in PRKN are the most common cause of autosomal recessive Parkinson’s disease (PD). 647 patients with PRKN-PD were included in this international study. The pathogenic variants present were characterised and investigated for their effect on phenotype. Clinical features and progression of PRKN-PD was also assessed. Among 133 variants in index cases (n = 582), there were 58 (43.6%) structural variants, 34 (25.6%) missense, 20 (15%) frameshift, 10 splice site (7.5%%), 9 (6.8%) nonsense and 2 (1.5%) indels. The most frequent variant overall was an exon 3 deletion (n = 145, 12.3%), followed by the p.R275W substitution (n = 117, 10%). Exon3, RING0 protein domain and the ubiquitin-like protein domain were mutational hotspots with 31%, 35.4% and 31.7% of index cases presenting mutations in these regions respectively. The presence of a frameshift or structural variant was associated with a 3.4 ± 1.6 years or a 4.7 ± 1.6 years earlier age at onset of PRKN-PD respectively (p < 0.05). Furthermore, variants located in the N-terminus of the protein, a region enriched with frameshift variants, were associated with an earlier age at onset. The phenotype of PRKN-PD was characterised by slow motor progression, preserved cognition, an excellent motor response to levodopa therapy and later development of motor complications compared to early-onset PD. Non-motor symptoms were however common in PRKN-PD. Our findings on the relationship between the type of variant in PRKN and the phenotype of the disease may have implications for both genetic counselling and the design of precision clinical trials.
Electric polarization near vortices in the extended Kitaev model
Authors: Freitas Lucas R. D. , Bauer Tim , Egger Reinhold , Pereira Rodrigo G. 
Published: March 2024

AbstractWe formulate a Majorana mean-field theory for the extendedJKΓ Kitaev model in a magnetic Zeeman field of arbitrary direction, and apply it for studying spatially inhomogeneous states harboring vortices. This mean-field theory is exact in the pure Kitaev limit and captures the essential physics throughout the Kitaev spin liquid phase. We determine the charge profile around vortices and the corresponding quadrupole tensor. The quadrupole-quadrupole interaction between distant vortices is shown to be either repulsive or attractive, depending on parameters. We predict that electrically biased scanning probe tips enable the creation of vortices at preselected positions. Our results paves the way for the electric manipulation of Ising anyons in Kitaev spin liquids.
Cyclophilin A supports translation of intrinsically disordered proteins and affects haematopoietic stem cell ageing
Authors: Maneix Laure , Iakova Polina , Lee Charles G. , Moree Shannon E. , Lu Xuan , Datar Gandhar K. , Hill Cedric T. , Spooner Eric , King Jordon C. K. , Sykes David B. , Saez Borja , Di Stefano Bruno , Chen Xi , Krause Daniela S. , Sahin Ergun , Tsai Francis T. F. , Goodell Margaret A. , Berk Bradford C. , Scadden David T. , Catic André 
Published: March 2024

AbstractLoss of protein function is a driving force of ageing. We have identified peptidyl-prolyl isomerase A (PPIA or cyclophilin A) as a dominant chaperone in haematopoietic stem and progenitor cells. Depletion of PPIA accelerates stem cell ageing. We found that proteins with intrinsically disordered regions (IDRs) are frequent PPIA substrates. IDRs facilitate interactions with other proteins or nucleic acids and can trigger liquid–liquid phase separation. Over 20% of PPIA substrates are involved in the formation of supramolecular membrane-less organelles. PPIA affects regulators of stress granules (PABPC1), P-bodies (DDX6) and nucleoli (NPM1) to promote phase separation and increase cellular stress resistance. Haematopoietic stem cell ageing is associated with a post-transcriptional decrease in PPIA expression and reduced translation of IDR-rich proteins. Here we link the chaperone PPIA to the synthesis of intrinsically disordered proteins, which indicates that impaired protein interaction networks and macromolecular condensation may be potential determinants of haematopoietic stem cell ageing.
Preclinical evaluation of the SARS-CoV-2 Mpro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir
Authors: Chen Xiaoxin , Huang Xiaodong , Ma Qinhai , Kuzmič Petr , Zhou Biao , Zhang Sai , Chen Jizheng , Xu Jinxin , Liu Bin , Jiang Haiming , Zhang Wenjie , Yang Chunguang , Wu Shiguan , Huang Jianzhou , Li Haijun , Long Chaofeng , Zhao Xin , Xu Hongrui , Sheng Yanan , Guo Yaoting , Niu Chuanying , Xue Lu , Xu Yong , Liu Jinsong , Zhang Tianyu , Spencer James , Zhu Zhenzhen , Deng Wenbin , Chen Xinwen , Chen Shu-Hui , Zhong Nanshan , Xiong Xiaoli , Yang Zifeng 
Published: March 2024

AbstractAlthough vaccines are available for SARS-CoV-2, antiviral drugs such as nirmatrelvir are still needed, particularly for individuals in whom vaccines are less effective, such as the immunocompromised, to prevent severe COVID-19. Here we report an α-ketoamide-based peptidomimetic inhibitor of the SARS-CoV-2 main protease (Mpro), designated RAY1216. Enzyme inhibition kinetic analysis shows that RAY1216 has an inhibition constant of 8.4 nM and suggests that it dissociates about 12 times slower from Mpro compared with nirmatrelvir. The crystal structure of the SARS-CoV-2 Mpro:RAY1216 complex shows that RAY1216 covalently binds to the catalytic Cys145 through the α-ketoamide group. In vitro and using human ACE2 transgenic mouse models, RAY1216 shows antiviral activities against SARS-CoV-2 variants comparable to those of nirmatrelvir. It also shows improved pharmacokinetics in mice and rats, suggesting that RAY1216 could be used without ritonavir, which is co-administered with nirmatrelvir. RAY1216 has been approved as a single-component drug named ‘leritrelvir’ for COVID-19 treatment in China.
Satellite-based time-series of sea-surface temperature since 1980 for climate applications
Authors: Embury Owen , Merchant Christopher J. , Good Simon A. , Rayner Nick A. , Høyer Jacob L. , Atkinson Chris , Block Thomas , Alerskans Emy , Pearson Kevin J. , Worsfold Mark , McCarroll Niall , Donlon Craig 
Published: March 2024

AbstractA 42-year climate data record of global sea surface temperature (SST) covering 1980 to 2021 has been produced from satellite observations, with a high degree of independence from in situ measurements. Observations from twenty infrared and two microwave radiometers are used, and are adjusted for their differing times of day of measurement to avoid aliasing and ensure observational stability. A total of 1.5 × 1013 locations are processed, yielding 1.4 × 1012 SST observations deemed to be suitable for climate applications. The corresponding observation density varies from less than 1 km−2 yr−1 in 1980 to over 100 km−2 yr−1 after 2007. Data are provided at their native resolution, averaged on a global 0.05° latitude-longitude grid (single-sensor with gaps), and as a daily, merged, gap-free, SST analysis at 0.05°. The data include the satellite-based SSTs, the corresponding time-and-depth standardised estimates, their standard uncertainty and quality flags. Accuracy, spatial coverage and length of record are all improved relative to a previous version, and the timeseries is routinely extended in time using consistent methods.
Three years of weekly DEMs, aerial orthomosaics and surveyed shoreline positions at Waikīkī Beach, Hawai‘i
Authors: Mikkelsen Anna B. , McDonald Kristian K. , Kalksma Julianne , Tyrrell Zachary H. , Fletcher Charles H. 
Published: March 2024

AbstractIn this dataset, we present 128 coastal surveys conducted between 2018 and 2021 at Kahaloa Beach, also known as the Royal Hawaiian Beach, in Waikīkī, Hawai‘i. Surveys were conducted on a near-weekly basis, providing a 0.5 m digital elevation model, an orthorectified image mosaic with 0.03 m resolution, and shoreline vectors at MHHW and MSL, along with a surveyed shoreline position for each survey. We captured overlapping images using a small Unoccupied Aerial System (sUAS), processing the imagery with photogrammetric software to produce orthomosaics and Digital Terrain Models (DTM). Simultaneously, the shoreline position and reference points for sUAS-derived products were surveyed using total station and rod-mounted surveying prism. A quality assessment of 424 randomly sampled points across two surveys showed normally distributed errors of DTM elevations (µ1 = 0.0060 m; σ1 = 0.0998 m; µ2 = 0.0035 m; σ2 = 0.0680). Elevation uncertainties were quantified as 95% confidence intervals (±0.0130 m and ±0.0095 m). These data are intended to encourage research on reef-fringed beaches and provide a dataset for evaluating the accuracy of satellite-derived shorelines at reef-fringed beaches.
A bioinformatics approach to elucidate conserved genes and pathways in C. elegans as an animal model for cardiovascular research
Authors: Ray Ashwini Kumar , Priya Anjali , Malik Md. Zubbair , Thanaraj Thangavel Alphonse , Singh Alok Kumar , Mago Payal , Ghosh Chirashree , Shalimar  , Tandon Ravi , Chaturvedi Rupesh 
Published: March 2024

AbstractCardiovascular disease (CVD) is a collective term for disorders of the heart and blood vessels. The molecular events and biochemical pathways associated with CVD are difficult to study in clinical settings on patients and in vitro conditions. Animal models play a pivotal and indispensable role in CVD research. Caenorhabditis elegans, a nematode species, has emerged as a prominent experimental organism widely utilized in various biomedical research fields. However, the specific number of CVD-related genes and pathways within the C. elegans genome remains undisclosed to date, limiting its in-depth utilization for investigations. In the present study, we conducted a comprehensive analysis of genes and pathways related to CVD within the genomes of humans and C. elegans through a systematic bioinformatic approach. A total of 1113 genes in C. elegans orthologous to the most significant CVD-related genes in humans were identified, and the GO terms and pathways were compared to study the pathways that are conserved between the two species. In order to infer the functions of CVD-related orthologous genes in C. elegans, a PPI network was constructed. Orthologous gene PPI network analysis results reveal the hubs and important KRs: pmk-1, daf-21, gpb-1, crh-1, enpl-1,eef-1G, acdh-8, hif-1, pmk-2, and aha-1 in C. elegans. Modules were identified for determining the role of the orthologous genes at various levels in the created network. We also identified 9 commonly enriched pathways between humans and C. elegans linked with CVDs that include autophagy (animal), the ErbB signaling pathway, the FoxO signaling pathway, the MAPK signaling pathway, ABC transporters, the biosynthesis of unsaturated fatty acids, fatty acid metabolism, glutathione metabolism, and metabolic pathways. This study provides the first systematic genomic approach to explore the CVD-associated genes and pathways that are present in C. elegans, supporting the use of C. elegans as a prominent animal model organism for cardiovascular diseases.
Reliable water quality prediction and parametric analysis using explainable AI models
Authors: Nallakaruppan M. K. , Gangadevi E. , Shri M. Lawanya , Balusamy Balamurugan , Bhattacharya Sweta , Selvarajan Shitharth 
Published: March 2024

AbstractThe consumption of water constitutes the physical health of most of the living species and hence management of its purity and quality is extremely essential as contaminated water has to potential to create adverse health and environmental consequences. This creates the dire necessity to measure, control and monitor the quality of water. The primary contaminant present in water is Total Dissolved Solids (TDS), which is hard to filter out. There are various substances apart from mere solids such as potassium, sodium, chlorides, lead, nitrate, cadmium, arsenic and other pollutants. The proposed work aims to provide the automation of water quality estimation through Artificial Intelligence and uses Explainable Artificial Intelligence (XAI) for the explanation of the most significant parameters contributing towards the potability of water and the estimation of the impurities. XAI has the transparency and justifiability as a white-box model since the Machine Learning (ML) model is black-box and unable to describe the reasoning behind the ML classification. The proposed work uses various ML models such as Logistic Regression, Support Vector Machine (SVM), Gaussian Naive Bayes, Decision Tree (DT) and Random Forest (RF) to classify whether the water is drinkable. The various representations of XAI such as force plot, test patch, summary plot, dependency plot and decision plot generated in SHAPELY explainer explain the significant features, prediction score, feature importance and justification behind the water quality estimation. The RF classifier is selected for the explanation and yields optimum Accuracy and F1-Score of 0.9999, with Precision and Re-call of 0.9997 and 0.998 respectively. Thus, the work is an exploratory analysis of the estimation and management of water quality with indicators associated with their significance. This work is an emerging research at present with a vision of addressing the water quality for the future as well.
Prevalence of common autosomal recessive mutation carriers in women in the Southern Vietnam following the application of expanded carrier screening
Authors: To-Mai Xuan-Hong , Nguyen Huu-Trung , Nguyen-Thi Thanh-Truc , Nguyen Thuy-Vy , Nguyen-Thi My-Nuong , Thai Ke-Quan , Lai Minh-Thi , Nguyen Tuan-Anh 
Published: March 2024

AbstractThe common autosomal recessive (AR) mutation carrier is still unknown in Vietnam. This study aims to identify the most common AR gene mutation carriers in women of reproductive age to build a Vietnamese-specific carrier screening panel for AR and X-linked disorders in the preconception and prenatal healthcare program. A cross-sectional study was conducted at University Medical Center–Branch 2 in Ho Chi Minh City from December 1st, 2020, to June 30th, 2023. 338 women have consented to take a 5 mL blood test to identify 540 recessive genes. The carrier screening panel was designed based on the American College of Medical Genetics and Genomics (ACMG)-recommended genes and suggestions from 104 clinical experts in Vietnam. Obstetricians and genetic experts counseled all positive testing results to discuss the possibility of recessive diseases in their offspring. The most common recessive disorders were defined at a prevalence of 1 in 60 or greater, and those were added to a Vietnamese-specific carrier screening panel. 338 non-pregnant and pregnant women underwent the expanded carrier screening (ECS). The carrier frequency was 63.6%, in which 215 women carried at least one AR gene mutation. GJB2 hearing impairment was identified as the most common chronic condition (1 in 5). The second most common AR disorder was beta-thalassemia (1 in 16), followed by cystic fibrosis (1 in 23), G6PD deficiency (1 in 28), Wilson’s disease (1 in 31), Usher’s syndrome (1 in 31), and glycogen storage disease (1 in 56). Seven common recessive genes were added in ethnic-based carrier screening. Women in the South of Vietnam have been carried for many recessive conditions at high frequency, such as hearing impairment, genetic anemia, and cystic fibrosis. It is necessary to implement a preconception and prenatal screening program by using seven widely popular AR genes in a Vietnamese-specific carrier screening panel to reduce the burden related to AR and X-linked disorders.