bluuebunny/crossref_metadata_2025_split huggingface dataset:
Robustly interrogating machine learning-based scoring functions: what are they learning?
Authors: Durant Guy , Boyles Fergus , Birchall Kristian , Marsden Brian , Deane Charlotte M 
Published: January 2025

Abstract

Motivation
Machine learning-based scoring functions (MLBSFs) have been found to exhibit inconsistent performance on different benchmarks and be prone to learning dataset bias. For the field to develop MLBSFs that learn a generalizable understanding of physics, a more rigorous understanding of how they perform is required.

Results
In this work, we compared the performance of a diverse set of popular MLBSFs (RFScore, SIGN, OnionNet-2, Pafnucy, and PointVS) to our proposed baseline models that can only learn dataset biases on a range of benchmarks. We found that these baseline models were competitive in accuracy to these MLBSFs in almost all proposed benchmarks, indicating these models only learn dataset biases. Our tests and provided platform, ToolBoxSF, will enable researchers to robustly interrogate MLBSF performance and determine the effect of dataset biases on their predictions.

Availability and implementation
https://github.com/guydurant/toolboxsf.
Comparative analysis of the prediction accuracy of hydrogen cloud explosion overpressure peak based on three kinds of theoretical models
Authors: Peng Bin , Wang Qiuhong , Gao Wei , Xiao Huahua , Luo Zhenmin , Bi Mingshu , Liu Yifei , Zhu He , Liu Jianxiong 
Published: January 2025

Abstract
Hydrogen energy is pivotal in the energy transition due to its high efficiency and zero-emission characteristics. However, the potential for explosions constrains its broader application. Gaining insights into the dynamics of overpressure in hydrogen explosions is vital for the safe design of explosion-proof facilities and the determination of equipment spacing. This study investigates hydrogen explosions in open spaces of 1 and 27 m3 volumes, analyzing flame propagation and overpressure distribution. It also evaluates the accuracy of three theoretical models in predicting peak overpressure. The results reveal that the spherical flame from a hydrogen cloud explosion transforms into an ellipsoidal shape upon contact with the ground. The average flame propagation velocity across different equivalent ratio is ordered as follows: Va (φ = 1.0) &gt; Va (φ = 1.5) &gt; Va (φ = 2.5) &gt; Va (φ = 0.5). At equivalent distances, the peak overpressure of hydrogen cloud explosions is comparable across both scales. The traditional trinitrotoluene model overestimates the peak overpressure of hydrogen cloud explosions at both scales. The optimized trinitrotoluene model achieves over 90% accuracy in predicting hydrogen cloud explosions in 1 m3 volumes but shows decreased accuracy in 27 m3 explosions. At source intensity level 3, the Nederlandse Organisatie voor Toegepast Natuurwetenschappelijk Onderzoek multi-energy model exhibits a prediction accuracy of over 70% for peak overpressure in hydrogen cloud explosions, with consistent performance across different scales, rendering it a more reliable model for such predictions. This research enhances hydrogen safety assessment technologies by providing a more precise method for evaluating large-scale hydrogen cloud explosion risks.
European Society of Cardiology quality indicators for the management of acute coronary syndrome
Authors: Rossello Xavier , Gonzalez-Del-Hoyo Maribel , Aktaa Suleman , Gale Chris P , Barbash Israel , Claeys Marc J , Coughlan J J , Ferreira Joao Pedro , Galbraith Mary , Leosdottir Margret , Schiele Francois , Raposeiras-Roubin Sergio , Gimenez Maria Rubini , Byrne Robert A , Ibanez Borja 
Published: January 2025

Abstract

Background
Closing the evidence-practice gap for the treatment of acute coronary syndrome (ACS) is central to improving quality of care. Under the European Society of Cardiology (ESC) framework, we aimed to develop updated quality indicators (QIs) for the evaluation of quality of care and outcomes for patients with ACS.

Methods
A Working Group of experts including members of the ESC Clinical Practice Guidelines Task Force for ACS, Acute CardioVascular Care Association and European Association of Percutaneous Cardiovascular Interventions followed the ESC methodology for QI development. This methodology involved (i) the identification of the domains of ACS care for the diagnosis and management of ACS; (ii) the construction of candidate QIs through a systematic review of the literature; and (iii) the selection of the final set of QIs (using a modified Delphi method).

Results
Five domains of care for the diagnosis and management of ACS were identified: (1) structural framework and logistics, (2) in-hospital non-invasive care, (3) invasive strategy and periprocedural management, (4) secondary prevention interventions, and (5) outcomes. In total, 21 main QIs were selected, covering all five domains of care for the diagnosis and management of ACS.

Conclusions
This document defines five domains of ACS care, and provides 21 QIs for the diagnosis and management of ACS. The updated ESC QIs for ACS may be used for quality improvement initiatives.
Sub-lethal exposures to bifenthrin impact stress responses and behavior of juvenile Chinook Salmon
Authors: Cominassi L , Segarra A , Chandler A , Habibullah-Al-Mamun M , Knaub K , Huff Hartz K E , Mauduit F , Fangue N , Whitledge G W , Lydy M J , Connon R E 
Published: January 2025

Abstract
Juvenile Chinook Salmon (Oncorhynchus tshawytscha) populations have decreased substantially in the Sacramento-San Joaquin Delta (Delta) over the past decades, so considerably that two of the four genetically distinct runs are now listed in the Endangered Species Act. One factor responsible for this decline is the presence of contaminants in the Delta. Insecticides, used globally in agricultural, industrial, and household settings, have the potential to contaminate nearby aquatic systems through spray drift, runoff, and direct wastewater discharge. Chinook Salmon are therefore exposed, as they out-migrate through the Delta, to insecticides that have been associated with adverse biological effects in aquatic species, ranging from sub-lethal impairments to lethality. The goal of this study was to assess whether bifenthrin, a ubiquitous pyrethroid insecticide in the Delta, impacts thermal tolerance, hypoxia tolerance and behavior of juvenile Chinook Salmon. Fish were exposed for 10 days to environmentally relevant (125 ng/L, associated with resulting body residues in wild-caught fish) and sub-lethal bifenthrin concentrations (500 and 1000 ng/L). Juvenile Chinook Salmon exposed to bifenthrin were tolerant to increases in hypoxia but not temperature. Fish exposed to bifenthrin showed dose-dependent behavior changes: hypoactivity at 125 ng/L, hyperactivity at 1000 ng/L, and reduced anxiety-like behavior, including lower thigmotaxis and decreased social interaction. The results revealed that exposure to sublethal concentrations of bifenthrin, leading to environmentally relevant body burden residues, significantly altered upper thermal tolerance and caused non-linear behavioral changes. The study suggests the existence of behavioral effect thresholds in wild-caught fish and emphasizes that higher concentrations of contaminants may impair Chinook Salmon's ability to avoid predators in natural environments.
Gender Differences in Cardiovascular Events among Patients with Sleep Apnoea Syndrome: A Real-World Data Analysis of a Nationwide Epidemiological Dataset
Authors: Ko Toshiyuki , Kaneko Hidehiro , Suzuki Yuta , Komuro Jin , Komuro Kaoruko , Jimba Takahiro , Okada Akira , Fujiu Katsuhito , Takeda Norifumi , Morita Hiroyuki , Yumino Dai , Node Koichi , Ieda Masaki , Yasunaga Hideo , Komuro Issei , Takeda Norihiko 
Published: January 2025

Abstract

Aim
Sleep apnoea syndrome (SAS) is a common sleep disorder associated with heightened cardiovascular risks, yet sex-specific differences in these risks remain unclear.

Methods
This retrospective observational cohort study utilized the JMDC Claims Database, covering &gt;5 million individuals in Japan. We analyzed data from 4,173,702 individuals (2,406,930 men, 1,766,772 women) after excluding those with central SAS, cardiovascular disease, and incomplete lifestyle questionnaire data. SAS was identified using ICD-10 codes and treatment records. Cox regression models adjusted for multiple factors examined the association between SAS and cardiovascular outcomes.

Results
Among the participants, 39,078 men (1.62%) and 3,960 women (0.22%) were diagnosed with SAS. Over a mean follow-up of 1,290±1,000 days, SAS was associated with an increased risk of composite cardiovascular events, with a hazard ratio (HR) of 1.27 (95% CI, 1.23-1.31) in men and 1.72 (95% CI, 1.54-1.92) in women compared to those without SAS. The association was significantly stronger in women than in men (P-value for interaction&lt; 0.001) and this sex difference was validated by various sensitivity analyses.

Conclusions
Despite the lower prevalence of SAS among women, there was a gender disparity in the cardiovascular impact of SAS, with women demonstrating a significantly higher risk compared to men. This underscores the importance of tailored management strategies aimed at early detection and cardiovascular disease prevention specifically in female patients with SAS.
Information and communication technology use among social ties of varying strength: Who benefits and how?
Authors: Francis-Levin Jess , Fakhoury Nour , Brauer Simon G , Webster Noah J , Ajrouch Kristine J , Antonucci Toni C 
Published: January 2025

Abstract

Background and Objectives
Information and communication technology (ICT) use has been associated with well-being among older adults. This link is often attributed to the fact that ICT use facilitates connecting with others. The purpose of this study is to assess how contact frequency and social tie strength impact the relationship between ICT use and depressive symptoms among older adults.

Research Design and Methods
Using data from the Detroit-based Social Relations Study collected in 2015, we use Bayesian analyses to examine the extent to which contact frequency with social network members moderates and the strength of these social tie (strong, moderate, and weak) mediate the link between ICT use and depressive symptoms among adults age 60+ (n=483).

Results
ICT use was found to be associated with fewer depressive symptoms. Furthermore, ICT use was associated with more moderate and weak ties which were, in turn, associated with fewer depressive symptoms. Finally, a moderating effect was also found as ICT use was associated with fewer depressive symptoms only among those with lower contact frequency.

Discussion and Implications
Our findings suggest that for older adults who communicate with others less frequently, ICT use can prove beneficial to mental health (i.e. fewer depressive symptoms). Furthermore ICT use may be especially meaningful to connect with weaker social ties. These findings may be due in part to ICTs capabilities which enable older adults to maintain connection to a diverse array of social ties and bridge social and physical distance.
Enhancing net zero decarbonization strategies: a comparative analysis with the analytic hierarchy process
Authors: Raman Arasu , Altalbawy Farag M A , Ali Amjad , Vora Tarak , Alkhayyat Ahmad , Yogi Kottala Sri , Sapaev I B , Dhaliwal Arshdeep Singh , Singh Ashish , Shafieezadeh M Mehdi 
Published: January 2025

Abstract
This paper comprehensively analyses decarbonization decision-making using the analytic hierarchy process (AHP). With a pressing global mandate to achieve net-zero carbon emissions, systematic approaches are essential for effectively selecting and prioritizing decarbonization strategies. Applying AHP, this study evaluates and ranks strategies based on key criteria. Each criterion’s weighted priority reflects its significance in decision-making, highlighting the dominance of Social Equity and Environmental Impact in prioritizing decarbonization strategies. The findings underscore the real-world applicability of the AHP framework, providing policymakers and stakeholders with a structured decision-making tool to prioritize actions that balance environmental sustainability, economic feasibility, and social equity.
Resistance Analyses in Heavily Treatment-Experienced People With HIV Treated With the Novel HIV Capsid Inhibitor Lenacapavir After 2 Years
Authors: Margot Nicolas A , Jogiraju Vamshi , Pennetzdorfer Nina , Naik Vidula , VanderVeen Laurie A , Ling John , Singh Renu , Dvory-Sobol Hadas , Ogbuagu Onyema , Segal-Maurer Sorana , Molina Jean-Michel , Rhee Martin S , Callebaut Christian 
Published: January 2025

Abstract

Background
Lenacapavir is a highly potent first-in-class inhibitor of HIV-1 capsid that was approved for the treatment of heavily treatment-experienced people with HIV-1 harboring multidrug-resistant virus, and it is used in combination with an optimized background regimen (OBR). Resistance analyses conducted after 2 years of lenacapavir treatment in the phase 2/3 CAPELLA study are described.

Methods
CAPELLA enrollment consisted of viremic cases of heavily treatment-experienced people with HIV-1 and resistance to ≥2 drugs per class in at least 3 of the 4 main drug classes. Postbaseline resistance in participants experiencing virologic failure was evaluated by resistance assays (HIV-1 capsid, protease, reverse transcriptase, and integrase genotypic/phenotypic tests). Adherence to OBR was assessed by plasma drug measurement via liquid chromatography–tandem mass spectrometry.

Results
After 2 years, lenacapavir + OBR treatment led to HIV-1 RNA suppression in 82% of participants (missing = excluded). Treatment-emergent capsid resistance occurred in 19% (14/72) of participants, including capsid mutations M66I, Q67H/K/N, K70H/N/R/S, and/or N74D/H/K, which were all associated with functional lenacapavir monotherapy. Seven participants with lenacapavir resistance reattained HIV-1 RNA &lt;50 copies/mL upon OBR resumption or change while maintaining lenacapavir treatment.

Conclusions
Emergence of lenacapavir resistance after 2 years in CAPELLA was a consequence of functional lenacapavir monotherapy. In half of participants with lenacapavir resistance, continued treatment with lenacapavir + active OBR led to HIV-1 RNA resuppression.
An adaptive search strategy combination algorithm based on reinforcement learning and neighborhood search
Authors: Liu Xiaotong , Xu Ying , Wang Tianlei , Zeng Zhiqiang , Zhou Zhiheng , Zhai Yikui 
Published: January 2025

Abstract
Integrating multiple search operators to utilize their different characteristics in order to improve the performance of evolutionary algorithms is a challenging task. This paper proposes an adaptive combination algorithm that integrates four search operators, called RLACA. RLACA introduces a reinforcement learning-based adaptive search operator selection mechanism (RLAS) to dynamically choose the most suitable search operator based on the individual states. Additionally, a neighborhood search strategy based on differential evolution (NSDE) is incorporated to mitigate premature convergence by increasing population diversity. To verify the effectiveness of the proposed algorithm, a comprehensive testing was conducted using the CEC2017 test suite. The experimental results demonstrate that RLAS can adaptively select a suitable search operator and NSDE can enhance the algorithm’s local search capability, thereby improving the performance of RLACA. Compared with the four basic algorithms and four combination algorithms, RLACA performs better in both convergence speed and resolution accuracy.
The effects of parasitism on sex allocation of a hermaphroditic acorn barnacle
Authors: Tamechika Masami M , Yamada Hiroyuki , Ijiri Shigeho , Yusa Yoichi 
Published: January 2025

Abstract
Sex allocation theory predicts the adaptive allocation of resources to male versus female reproduction in simultaneous hermaphrodites in response to individual characteristics or environmental factors. Because parasites uptake resources from their hosts, their presence could affect the sex allocation of the hosts. We investigated the effects of infestation status and infestation intensity by the rhizocephalan barnacle Boschmaella japonica on reproduction, including sex allocation, of the host intertidal barnacle Chthamalus challengeri. Feeding activity was also examined as a factor related to resource intake. Both male and female reproductive investment decreased with increasing parasite infestation, and the sex allocation of large-infested hosts was more male-biased than that of large uninfested hosts. Moreover, in contrast to the model prediction that male investment does not change under resource limitation, male investment decreased in infested hosts whose resources were taken by parasites. This reduction in male investment could be explained by changes in mating group size, since infested hosts have shorter penises and consequently are able to access fewer mating partners.
Paradigms of justice and the limits of ISDS reform
Authors: Giannakopoulos Charalampos 
Published: January 2025

Abstract
More than seven years into the investor-state dispute settlement (ISDS) reform process at the United Nations Commission on International Trade Law (UNCITRAL) Working Group III, several reforms have been proposed to address concerns with the current functioning of the system. This article asks whether the eventual outcome of the reform effort is likely to result in a new paradigm of ISDS justice. Focusing my remarks on the two opposing views on ISDS reform (ie non-structural/incremental versus the structural multilateral investment court proposal), I argue that there is cause for scepticism. Scepticism is warranted because there is little in UNCITRAL’s reform agenda and in the treaty negotiating practice of states for a different paradigm to take hold as to what the ‘constituency’ of ISDS is—that is, as to the full range of legal rights and interests that decision-makers in ISDS should take into account.
Decoding the molecular enigma behind asbestos and fibrous nanomaterial-induced carcinogenesis
Authors: Toyokuni Shinya , Kong Yingyi 
Published: January 2025

Abstract
Objectives: The natural fibrous mineral, asbestos, has been useful in industry for many centuries. In the 1960s, epidemiology recognized the association between asbestos exposure and mesothelioma, and in 1987 the International Agency for Research on Cancer designated all kinds of asbestos as Group 1 carcinogens. However, various scientific enigmas remained regarding the molecular mechanisms of asbestos-induced mesothelial carcinogenesis. This review article was undertaken to reveal and summarize recent discoveries to resolve those enigmas.
Methods: We collected recent important findings from our own laboratory and others to explain why mesothelial cells are the target for asbestos-induced carcinogenesis and what are the key molecular mechanisms.
Results: The long incubation period of 30-40 years for mesothelial carcinogenesis after asbestos exposure allows the asbestos fibers to go through the pulmonary parenchyma from the central to peripheral portions and ultimately reach the parietal mesothelium by piercing visceral pleura. Asbestos fibers have affinity for hemoglobin and histones, thus accumulating iron on the surface while traveling through the lung. Mesothelial cells are phagocytic cells, engulfing iron-coated asbestos fibers. Accordingly, homozygous deletion of the p16INK4a tumor suppressor gene, a signature of excess iron-induced carcinogenesis, is acquired through oxidative DNA damage. Recently, exosome-dependent iron transfer from asbestos-fed macrophages to mesothelial cells was reported. Similar molecular mechanisms are observed with multiwalled carbon nanotubes of ~50-nm diameter.
Conclusions: Physical dimensions, biopersistence, and affinity to iron/histones are essential for fibrous material to be carcinogenic to mesothelial cells. Therefore, local iron reduction may be a strategy to prevent mesothelial carcinogenesis.
The Public Mental Health Framework: thinking about law as preventive medicine
Authors: Wilson Kay E 
Published: January 2025

Abstract
Health, mental health, and well-being are not ‘natural’ but are shaped by social and environmental factors. This article aims to reorient the development of all laws and policies to do more to prevent mental ill-health and promote well-being as a core function of the contemporary state. It introduces a new conceptual and empirical model, the Public Mental Health Framework, based on three areas of research: (i) the social determinants of health and mental health, which include social structures and daily living conditions (such as poverty, inequality, education, employment, discrimination, adverse childhood experiences, and crime); (ii) health and human rights; and (iii) the intermediate social model of disability. It then explains how the Public Mental Health Framework can be incorporated into law and policy development through parliamentary analysis similar to that used for ‘statements of compatibility’ in the Human Rights Act 1998 (UK) and legislation such as the Wellbeing of Future Generations (Wales) Act 2015 (Wales), interdepartmental administrative structures, proactive strategic planning, and continued advocacy.
NEAT1-mediated regulation of proteostasis and mRNA localization impacts autophagy dysregulation in Rett syndrome
Authors: Siqueira Edilene , Velasco Cecilia D , Tarrasón Ariadna , Soler Marta , Srinivas Tara , Setién Fernando , Oliveira-Mateos Cristina , Casado-Pelaez Marta , Martinez-Verbo Laura , Armstrong Judith , Esteller Manel , Alves Letícia F , Llobet Artur , Guil Sonia 
Published: January 2025

Abstract
Rett syndrome (RTT) is a severe neurodevelopmental disorder primarily caused by loss-of-function mutations in the MECP2 gene, resulting in diverse cellular dysfunctions. Here, we investigated the role of the long noncoding RNA (lncRNA) NEAT1 in the context of MeCP2 deficiency using human neural cells and RTT patient samples. Through single-cell RNA sequencing and molecular analyses, we found that NEAT1 is markedly downregulated in MECP2 knockout (KO) cells at various stages of neural differentiation. NEAT1 downregulation correlated with aberrant activation of the mTOR pathway, abnormal protein metabolism, and dysregulated autophagy, contributing to the accumulation of protein aggregates and impaired mitochondrial function. Reactivation of NEAT1 in MECP2-KO cells rescued these phenotypes, indicating its critical role downstream of MECP2. Furthermore, direct RNA–RNA interaction was revealed as the key process for NEAT1 influence on autophagy genes, leading to altered subcellular localization of specific autophagy-related messenger RNAs and impaired biogenesis of autophagic complexes. Importantly, NEAT1 restoration rescued the morphological defects observed in MECP2-KO neurons, highlighting its crucial role in neuronal maturation. Overall, our findings elucidate lncRNA NEAT1 as a key mediator of MeCP2 function, regulating essential pathways involved in protein metabolism, autophagy, and neuronal morphology.