bluuebunny/crossref_metadata_2025_split huggingface dataset:
Association between neutrophil‐to‐lymphocyte ratio and length of hospital stay in an acute psychiatric hospital: A cross‐sectional study
Authors: Tsuji Rikako , Hiura Yuto , Ishikura Yuki , Sueyoshi Toshinari , Sho Naoaki , Narushima Naoki , Haoka Takeshi , Terao Atsushi , Kikuchi Akira 
Published: August 2024

AbstractAimThe available evidence for predicting length of stay in acute psychiatric hospitals includes demographics, diagnosis, and treatment variables. This study aimed to evaluate the association between neutrophil‐to‐lymphocyte ratio (NLR) and length of hospital stay in an acute psychiatric hospital.MethodsA total of 116 patients who were admitted to an acute psychiatric ward at Urawa Neuropsychiatric Sanatorium (Saitama, Japan) from August 2022 to December 2022 were eligible for this study. Laboratory data of lymphocytes and neutrophils were assessed on the first day of admission and NLR was calculated based on the data. Participants were categorized into two groups, high NLR and low NLR, which were set as predictor variables, as well as using NLR as a continuous variable. Multiple linear regression was performed to determine the association between NLR and length of hospital stay, adjusting for confounding factors.ResultsA total of 90 participants were included in this study. The association of NLR as a continuous variable and length of hospital stay was not significant. When we categorized participants into high‐ and low‐NLR groups, the association was significant even after adjusting by covariates (p < 0.05).ConclusionCategorized NLR was positively associated with the length of hospital stay in patients admitted to an acute psychiatric hospital. Categorized NLR may predict the length of hospital stay for patients who are admitted to an acute psychiatric hospital.
Metadata for Data dIscoverability aNd Study rEplicability in obseRVAtional Studies (MINERVA): Development and Pilot of a Metadata List and Catalogue in Europe
Authors: Pajouheshnia Romin , Gini Rosa , Gutierrez Lia , Swertz Morris A. , Hyde Eleanor , Sturkenboom Miriam , Arana Alejandro , Franzoni Carla , Ehrenstein Vera , Roberto Giuseppe , Gil Miguel , Maciá Miguel Angel , Schäfer Wiebke , Haug Ulrike , Thurin Nicolas H. , Lassalle Régis , Droz‐Perroteau Cécile , Zaccagnino Silvia , Busto Maria Paula , Middelkoop Bas , Gembert Karin , Sanchez‐Saez Francisco , Rodriguez‐Bernal Clara , Sanfélix‐Gimeno Gabriel , Hurtado Isabel , Acosta Manuel Barreiro‐de , Poblador‐Plou Beatriz , Carmona‐Pírez Jonás , Gimeno‐Miguel Antonio , Prados‐Torres Alexandra , Schultze Anna , Jansen Ella , Herings Ron , Kuiper Josine , Locatelli Igor , Jazbar Janja , Žerovnik Špela , Kos Mitja , Smit Steven , Lind Sirje , Metspalu Andres , Simou Stefania , Hedenmalm Karin , Cochino Ana , Alcini Paolo , Kurz Xavier , Perez‐Gutthann Susana 
Published: August 2024

ABSTRACTPurposeMetadata for data dIscoverability aNd study rEplicability in obseRVAtional studies (MINERVA), a European Medicines Agency–funded project (EUPAS39322), defined a set of metadata to describe real‐world data sources (RWDSs) and piloted metadata collection in a prototype catalogue to assist investigators from data source discoverability through study conduct.MethodsA list of metadata was created from a review of existing metadata catalogues and recommendations, structured interviews, a stakeholder survey, and a technical workshop. The prototype was designed to comply with the FAIR principles (findable, accessible, interoperable, reusable), using MOLGENIS software. Metadata collection was piloted by 15 data access partners (DAPs) from across Europe.ResultsA total of 442 metadata variables were defined in six domains: institutions (organizations connected to a data source); data banks (data collections sustained by an organization); data sources (collections of linkable data banks covering a common underlying population); studies; networks (of institutions); and common data models (CDMs). A total of 26 institutions were recorded in the prototype. Each DAP populated the metadata of one data source and its selected data banks. The number of data banks varied by data source; the most common data banks were hospital administrative records and pharmacy dispensation records (10 data sources each). Quantitative metadata were successfully extracted from three data sources conforming to different CDMs and entered into the prototype.ConclusionsA metadata list was finalized, a prototype was successfully populated, and a good practice guide was developed. Setting up and maintaining a metadata catalogue on RWDSs will require substantial effort to support discoverability of data sources and reproducibility of studies in Europe.
The Medicines Intelligence Data Platform: A Population‐Based Data Resource From New South Wales, Australia
Authors: Zoega Helga , Falster Michael O. , Gillies Malcolm B. , Litchfield Melisa , Camacho Ximena , Bruno Claudia , Daniels Benjamin , Donnolley Natasha , Havard Alys , Schaffer Andrea L. , Chambers Georgina , Degenhardt Louisa , Dobbins Timothy , Gisev Natasa , Ivers Rebecca , Jorm Louisa , Liu Bette , Vajdic Claire M. , Pearson Sallie‐Anne 
Published: August 2024

ABSTRACTBackgroundThe Medicines Intelligence (MedIntel) Data Platform is an anonymised linked data resource designed to generate real‐world evidence on prescribed medicine use, effectiveness, safety, costs and cost‐effectiveness in Australia.ResultsThe platform comprises Medicare‐eligible people who are ≥18 years and residing in New South Wales (NSW), Australia, any time during 2005–2020, with linked administrative data on dispensed prescription medicines (Pharmaceutical Benefits Scheme), health service use (Medicare Benefits Schedule), emergency department visits (NSW Emergency Department Data Collection), hospitalisations (NSW Admitted Patient Data Collection) plus death (National Death Index) and cancer registrations (NSW Cancer Registry). Data are currently available to 2022, with approval to update the cohort and data collections annually. The platform includes 7.4 million unique people across all years, covering 36.9% of the Australian adult population; the overall population increased from 4.8 M in 2005 to 6.0 M in 2020. As of 1 January 2019 (the last pre‐pandemic year), the cohort had a mean age of 48.7 years (51.1% female), with most people (4.4 M, 74.7%) residing in a major city. In 2019, 4.4 M people (73.3%) were dispensed a medicine, 1.2 M (20.5%) were hospitalised, 5.3 M (89.4%) had a GP or specialist appointment, and 54 003 people died. Anti‐infectives were the most prevalent medicines dispensed to the cohort in 2019 (43.1%), followed by nervous system (32.2%) and cardiovascular system medicines (30.2%).ConclusionThe MedIntel Data Platform creates opportunities for national and international research collaborations and enables us to address contemporary clinically‐ and policy‐relevant research questions about quality use of medicines and health outcomes in Australia and globally.
ThermoLink: Bridging disulfide bonds and enzyme thermostability through database construction and machine learning prediction
Authors: Xu Ran , Pan Qican , Zhu Guoliang , Ye Yilin , Xin Minghui , Wang Zechen , Wang Sheng , Li Weifeng , Wei Yanjie , Guo Jingjing , Zheng Liangzhen 
Published: August 2024

AbstractDisulfide bonds, covalently formed by sulfur atoms in cysteine residues, play a crucial role in protein folding and structure stability. Considering their significance, artificial disulfide bonds are often introduced to enhance protein thermostability. Although an increasing number of tools can assist with this task, significant amounts of time and resources are often wasted owing to inadequate consideration. To enhance the accuracy and efficiency of designing disulfide bonds for protein thermostability improvement, we initially collected disulfide bond and protein thermostability data from extensive literature sources. Thereafter, we extracted various sequence‐ and structure‐based features and constructed machine‐learning models to predict whether disulfide bonds can improve protein thermostability. Among all models, the neighborhood context model based on the Adaboost‐DT algorithm performed the best, yielding “area under the receiver operating characteristic curve” and accuracy scores of 0.773 and 0.714, respectively. Furthermore, we also found AlphaFold2 to exhibit high superiority in predicting disulfide bonds, and to some extent, the coevolutionary relationship between residue pairs potentially guided artificial disulfide bond design. Moreover, several mutants of imine reductase 89 (IR89) with artificially designed thermostable disulfide bonds were experimentally proven to be considerably efficient for substrate catalysis. The SS‐bond data have been integrated into an online server, namely, ThermoLink, available at guolab.mpu.edu.mo/thermoLink.
Biochemical characterization of naturally occurring mutations in SARS‐CoV‐2 RNA‐dependent RNA polymerase
Authors: Danda Matěj , Klimešová Anna , Kušková Klára , Dostálková Alžběta , Pagáčová Aneta , Prchal Jan , Kapisheva Marina , Ruml Tomáš , Rumlová Michaela 
Published: August 2024

AbstractSince the emergence of SARS‐CoV‐2, mutations in all subunits of the RNA‐dependent RNA polymerase (RdRp) of the virus have been repeatedly reported. Although RdRp represents a primary target for antiviral drugs, experimental studies exploring the phenotypic effect of these mutations have been limited. This study focuses on the phenotypic effects of substitutions in the three RdRp subunits: nsp7, nsp8, and nsp12, selected based on their occurrence rate and potential impact. We employed nano‐differential scanning fluorimetry and microscale thermophoresis to examine the impact of these mutations on protein stability and RdRp complex assembly. We observed diverse impacts; notably, a single mutation in nsp8 significantly increased its stability as evidenced by a 13°C increase in melting temperature, whereas certain mutations in nsp7 and nsp8 reduced their binding affinity to nsp12 during RdRp complex formation. Using a fluorometric enzymatic assay, we assessed the overall effect on RNA polymerase activity. We found that most of the examined mutations altered the polymerase activity, often as a direct result of changes in stability or affinity to the other components of the RdRp complex. Intriguingly, a combination of nsp8 A21V and nsp12 P323L mutations resulted in a 50% increase in polymerase activity. To our knowledge, this is the first biochemical study to demonstrate the impact of amino acid mutations across all components constituting the RdRp complex in emerging SARS‐CoV‐2 subvariants.
Integrating molecular dynamics simulation with small‐ and wide‐angle X‐ray scattering to unravel the flexibility, antigen‐blocking, and protease‐restoring functions in a hindrance‐based pro‐antibody
Authors: Liao Jun Min , Hong Shih‐Ting , Wang Yeng‐Tseng , Cheng Yi‐An , Ho Kai‐Wen , Toh Shu‐Ing , Shih Orion , Jeng U‐Ser , Lyu Ping‐Chiang , Hu I‐Chen , Huang Ming‐Yii , Chang Chin‐Yuan , Cheng Tian‐Lu 
Published: August 2024

AbstractSpatial hindrance‐based pro‐antibodies (pro‐Abs) are engineered antibodies to reduce monoclonal antibodies' (mAbs) on‐target toxicity using universal designed blocking segments that mask mAb antigen‐binding sites through spatial hindrance. By linking through protease substrates and linkers, these blocking segments can be removed site‐specifically. Although many types of blocking segments have been developed, such as coiled‐coil and hinge‐based Ab locks, the molecular structure of the pro‐Ab, particularly the region showing how the blocking fragment blocks the mAb, has not been elucidated by X‐ray crystallography or cryo‐EM. To achieve maximal effect, a pro‐Ab must have high antigen‐blocking and protease‐restoring efficiencies, but the unclear structure limits its further optimization. Here, we utilized molecular dynamics (MD) simulations to study the dynamic structures of a hinge‐based Ab lock pro‐Ab, pro‐Nivolumab, and validated the simulated structures with small‐ and wide‐angle X‐ray scattering (SWAXS). The MD results were closely consistent with SWAXS data (χ2best‐fit = 1.845, χ2allMD = 3.080). The further analysis shows a pronounced flexibility of the Ab lock (root‐mean‐square deviation = 10.90 Å), yet it still masks the important antigen‐binding residues by 57.3%–88.4%, explaining its 250‐folded antigen‐blocking efficiency. The introduced protease accessible surface area method affirmed better protease efficiency for light chain (33.03 Å2) over heavy chain (5.06 Å2), which aligns with the experiments. Overall, we developed MD‐SWAXS validation method to study the dynamics of flexible blocking segments and introduced methodologies to estimate their antigen‐blocking and protease‐restoring efficiencies, which would potentially be advancing the clinical applications of any spatial hindrance‐based pro‐Ab.
Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase
Authors: Pérez‐Niño Jorge Alejandro , Guerra Yasel , Díaz‐Salazar A. Jessica , Costas Miguel , Rodríguez‐Romero Adela , Fernández‐Velasco D. Alejandro 
Published: August 2024

AbstractFunction and structure are strongly coupled in obligated oligomers such as Triosephosphate isomerase (TIM). In animals and fungi, TIM monomers are inactive and unstable. Previously, we used ancestral sequence reconstruction to study TIM evolution and found that before these lineages diverged, the last opisthokonta common ancestor of TIM (LOCATIM) was an obligated oligomer that resembles those of extant TIMs. Notably, calorimetric evidence indicated that ancestral TIM monomers are more structured than extant ones. To further increase confidence about the function, structure, and stability of the LOCATIM, in this work, we applied two different inference methodologies and the worst plausible case scenario for both of them, to infer four sequences of this ancestor and test the robustness of their physicochemical properties. The extensive biophysical characterization of the four reconstructed sequences of LOCATIM showed very similar hydrodynamic and spectroscopic properties, as well as ligand‐binding energetics and catalytic parameters. Their 3D structures were also conserved. Although differences were observed in melting temperature, all LOCATIMs showed reversible urea‐induced unfolding transitions, and for those that reached equilibrium, high conformational stability was estimated (ΔGTot = 40.6–46.2 kcal/mol). The stability of the inactive monomeric intermediates was also high (ΔGunf = 12.6–18.4 kcal/mol), resembling some protozoan TIMs rather than the unstable monomer observed in extant opisthokonts. A comparative analysis of the 3D structure of ancestral and extant TIMs shows a correlation between the higher stability of the ancestral monomers with the presence of several hydrogen bonds located in the “bottom” part of the barrel.
Benralizumab‐resistant mucus plugs in severe asthma complicated by eosinophilic chronic rhinosinusitis
Authors: Hamakawa Masamitsu , Ishida Tadashi 
Published: August 2024

Key messageIt is an absolute necessity to achieve complete control of comorbidities to obtain optimal asthma control. Importantly, type 2 asthma and ECRS share the same inflammatory pathophysiology and are common co‐morbidities. If the initial biologic is insufficiently effective, it is worth considering an alternative biologic.
Implications of climate‐change‐induced stressors and water management for sterlet populations in the Middle and Upper River Danube
Authors: Šindler Martin , Kubala Maroš , Senko Dušan , Mišík Martin , Guti Gábor , Pekárik Ladislav , Drozd Bořek 
Published: August 2024

AbstractSturgeons are a group of iconic rheophilic fish whose populations worldwide are currently undergoing significant declines. The study investigates the impact of climate change and anthropogenic activities, particularly the Gabčíkovo barrage system, on the survival and distribution of the sterlet, the last surviving sturgeon species in the Middle and Upper Danube River, specifically in the river part rkm 1708–1920 divided into three river sections: PT1 (Danube river part 1: rkm 1708–Gabčíkovo impoundment), PT2 (Danube river part 2: rkm 1854–1920), and PT3 (Old Danube part 3: rkm 1850–1810). Between years 1996 and 2020, water temperatures in the Danube River (PT1, PT2) rose by over 1°C on average, with the Old Danube (PT3) experiencing an alarming average increase of 3.5°C (df = 2, F = 145.03, p = <2.2e‐16). Consequently, suitable sterlet habitat (depth ≥4 m) in the Old Danube (PT3) now covers only 11% of its total area compared with 67% in PT1 and 75% in PT2 (flow rate = 1924.27 m3 s−1) due to altered flow regimes, water levels, and siltation. Sterlets are increasingly caught in an artificial channel below to the Gabčíkovo Hydroelectric Power Plant (80%–90% of annual total catch), suggesting a shift in their distribution patterns. Conversely, there has been a notable decline in sterlet populations in other river sections, including a decrease in a section with moderate ecological status according to Water Frame Directive criteria. In light of these findings, the study proposes several mitigation measures to improve the status of the sterlet population in the area.
Information and communication technology, economic globalization, and environmental sustainability in APEC nations: Insights from LCC and EKC hypotheses testing
Authors: Ximei Kong , Javaid Muhammad Qasim , Shams Tanzeela , Sibt‐e‐Ali Muhammad 
Published: August 2024

AbstractAs the world grapples with pressing ecological issues, this study delves into the essential concept of environmental sustainability, following the sustainable development goal (SDG) 13, aiming to uncover pathways for a greener future. For this, the study examines the effects of information & communication technology (ICT) and economic globalization (ECG) on environmental sustainability (ENS) from a new angle, focusing on three ENS proxy variables; carbon dioxide emission (CO2e), ecological footprint (EFP), and load capacity factor (LCF), for better ecological assessment. Dissimilar to prior studies, the current study simultaneously tests the load capacity curve (LCC) and environmental Kuznets curve (EKC) hypotheses. The study employed advanced panel data estimation techniques along with causality tests, taking into account cross‐sectional dependence and slope heterogeneity for Asia‐Pacific Economic Cooperation (APEC) economies, for the period 1991–2020. The long‐run empirical outcomes reveal that information & communication technology, economic globalization, renewable energy consumption, and green financial development have the potential to enhance environmental sustainability; whereas industrialization has a detrimental influence over time. Further, the LCC and EKC hypotheses are supportable in APEC economies. Considering the overall findings there is a need for a favorable policy environment, that is APEC nations should bolster up the deployment of green ICT infrastructure; promote enhanced and collective efforts with global partners for ECG; expand the adoption of renewable energy; direct green financial development to areas of greatest benefit, and well‐managed industrialization as part of their environmental policies.
AI‐enabled information sharing mechanism and enterprise performance
Authors: Wang Fang , Zou Manting 
Published: August 2024

AbstractIn recent years, with the continuous application and popularization of Artificial intelligence, the influence of artificial intelligence technology applied in information‐sharing mechanisms on enterprise performance has attracted more and more attention. With the background of the extended application of artificial intelligence in information sharing, based on the data of 348 manufacturing enterprises in the eastern coastal areas of China, the theoretical model of “information sharing mechanism ‐ accounting information quality ‐ enterprise performance” is constructed, and the relationship between the three is analyzed empirically. The results show that the stronger the information sharing mechanism and accounting information quality, the higher the enterprise performance; the information sharing promotes the accounting information quality; the quality of accounting information disclosure plays an intermediary role between information sharing and enterprise performance. Therefore, enterprises should pay attention to the use of artificial intelligence technology in information sharing to improve the quality of enterprise financial reports, improve enterprise performance, and provide theoretical references for the growth of manufacturing enterprises.
Shear performance of basalt fiber composite RC beams with different laminated heights of basalt fiber
Authors: Xia Ting , Zhang Wei , Huang Min , Huang Hua 
Published: August 2024

AbstractBasalt fiber (BF) is known for its high tensile strength, low elastic modulus, and environmental friendliness. To investigate the influence of basalt fiber reinforced concrete (BFRC) lamination heights on the beams' shear performance, four basalt fiber reinforced concrete and reinforced concrete (BFRC‐RC) beams featuring diverse laminated heights were fabricated and underwent bending tests. To further investigate the impact of stirrup and shear span ratios on the shear performance of BFRC‐RC beams, finite element models (FEMs) were established based on the experiments. The results indicated that four test beams experienced diagonal shear failure. Compared to RC beams, BFRC‐RC beams exhibited heightened ductility and stiffness. Additionally, as the BFRC laminated height rose, both cracking and peak loads increased. Compared to BFRC‐RC beams without stirrups, stirrups in those beams transitioned the diagonal shear failure to flexural failure. Stirrups in BFRC‐RC beams increased both the yield and peak loads, thereby enhancing their ductility. With a reduction in the shear span ratio, BFRC‐RC beams increased in both yield and peak loads, accompanied by a simultaneous decrease in yield and peak displacement. Finally, a model incorporating the influence of laminated height on BFRC‐RC beams' behavior was introduced to predict their bearing capacity. The theoretical values aligned well with the experimental results.