bluuebunny/crossref_metadata_2025_split huggingface dataset:
Improving LAMMPS performance for molecular dynamic simulation on large-scale HPC systems
Authors: Qi Du , Wang Feng , Huang Hui , Chen Jinlin 
Published: January 2025

Abstract
Large-scale atomic/molecular massively parallel simulator (LAMMPS) is a prevalent software package employed for molecular dynamics simulations, enabling the study of materials at the atomic and molecular scale. Its performance is paramount in numerous industrial applications, driving the need for ongoing enhancements in simulation speed and parallel efficiency. Previous works heavily rely on hardware accelerators, which lead to limited parallel and high costs. To address this, this work optimizes the message passing interface (MPI) and memory copy functions, while deploying LAMMPS on high-performance computing (HPC) systems. We propose a new adaptive broadcast algorithm to improve the parallelism efficiency of the interconnect topology. We also discuss how to realize the mutual hiding of computation and communication of the Packing algorithm in LAMMPS, and optimize the memory copy function and MPI operators to facilitate the execution of the program. The resulting components are integrated into the MPICH4 software and deployed on the MT-3000 HPC system. The experimental results show a significant performance improvement, with up to four orders of magnitude speedup on 1024, and more than 90% parallel efficiencies, demonstrating the effectiveness of our proposed optimization scheme. The adaptive broadcast algorithm and the portability of computation and communication hiding are also discussed. The adaptive broadcast algorithm is applied to SPEC MPI2007, and the average performance improvement is 23.91 and 27.29% on ARMv8 cluster and x86_64 cluster, respectively.
The politics of digital recognition of states
Authors: Berisha Butrint , Kursani Shpend 
Published: January 2025

Abstract
The International Relations literature has long argued, as has international law scholarship, that state recognition is the prerogative only of established states: non-state actors hold no such prerogative. Yet, what the existing literature ignores is how the expansion of the transnational digital landscape is transforming the dynamics of the practice of state recognition. In the contemporary age, is it more relevant that a putative state is recognized by another, established, state, or by a multinational corporation? The article does not aim to suggest that one or the other is more or less important. It does aim, however, to bring forward the much-ignored argument that established states, while maintaining their monopoly on the legal aspects of state recognition, no longer hold a monopoly on its practical significance. There are ‘new actors in town’ in the state recognition process which ought not to be ignored. The article engages with the debate and argues that, with the expansion of the digital landscape, multinational corporations are playing a crucial role in defining not only what constitutes a state, but also what that state's official name is and where its borders lie in the expanding digital realm.
The EU's soft balancing governance model: origins, characteristics and prospects for the future
Authors: Wivel Anders 
Published: January 2025

Abstract
A series of crises has challenged the European Union in the 2010s and 2020s, but has at the same time illustrated the resilience of the EU governance model. This model is characterized by soft balancing and is conditioned upon a division of labour, with NATO—and ultimately the United States—taking care of hard security and military balancing. The EU's success has relied on its not becoming a geopolitical actor, and it provides security mainly through processes of soft balancing, rather than policy outcomes. This article reconceptualizes soft balancing as a tool for understanding the EU's governance model, arguing that it is characterized by embedded and inclusive institutional soft balancing: member states use institutional mechanisms for pursuing power and interests by binding other actors through norms, rules and procedures inside the institutions. At the same time, member states' understandings of what constitutes power and interests, and how they are best pursued, are embedded in expectations created by the informal practices and formal rules of the institutions. Applying this model in the context of the history of EU integration since the early Cold War era, this article traces the development of the EU governance model, identifies and unpacks its characteristics, and discusses the lessons to be learned in terms of its future prospects.
Sovereignty, self-determination and the contending logics of territorial distribution
Authors: Heimann Gadi , Kacowicz Arie M , Press-Barnathan Galia 
Published: January 2025

Abstract
This article discusses the interplay between territorial sovereignty and national self-determination in international politics. It starts by drawing parallels between historical events such as the Russian annexation of Crimea in 2014, the recent Russian invasion of Ukraine in 2022, and previous incidents of territorial snatching. The central argument is that the variance in international responses to these events can be explained by the extent to which these actions align with the moral principle of national self-determination. The underlying contradiction between territorial sovereignty and national self-determination is often underestimated. While sovereignty is framed as an instrumental institution aimed at preserving the territorial status quo, self-determination is characterized by a moral imperative that advocates territorial distribution based on legitimate claims of national affiliation. This contradiction is not merely theoretical; it has tangible implications for international relations. States often profess loyalty to the principle of self-determination while adhering to the territorial status quo. Despite this, self-determination claims carry moral weight because they induce passivity in the international community when an aggressor justifies actions relying on the principle. This can lead, for example, to a limited international response in cases of irredentism.
Murmurations of Dirichlet Characters
Authors: Lee Kyu-Hwan , Oliver Thomas , Pozdnyakov Alexey 
Published: January 2025

Abstract
We calculate murmuration densities for two families of Dirichlet characters. The first family contains complex Dirichlet characters normalized by their Gauss sums. Integrating the first density over a geometric interval yields a murmuration function compatible with experimental observations. The second family contains real Dirichlet characters weighted by a smooth function with compact support. We show that the second density exhibits a universality property analogous to Zubrilina’s density for holomorphic newforms, and it interpolates the phase transition in the the $1$-level density for a symplectic family of $L$-functions.
Apportionment of oxygen demand contributions from aircraft and pavement deicer freezing point depressants in airport runoff, Milwaukee, Wisconsin, 2005–2022
Authors: LaFond-Hudson Sophia , Corsi Steven R , Rutter Troy D 
Published: January 2025

Abstract
Aircraft anti-icers and pavement deicers improve the safety of airport operations during winter precipitation events. Runoff containing these products can contribute elevated biochemical oxygen demand (BOD) to receiving streams. We monitored runoff from Milwaukee Mitchell International Airport at one upstream site, three outfall sites, and one downstream site from 2005 to 2022 for BOD, chemical oxygen demand (COD), and freezing point depressants used in deicing and anti-icing fluids to determine the primary sources of BOD and COD in the receiving stream. The greatest concentrations of BOD, COD, and freezing point depressants occurred at the primary outfall, which drains the main terminal area, and the secondary outfall, which drains cargo operations. The greatest loadings occurred at the primary outfall; loadings were an order of magnitude less at the secondary outfall due to a small drainage area with relatively low flow volumes. At the three outfalls, median concentrations of five-day BOD (BOD5) and COD were 100–1,300 mg L−1 and 200–2,100 mg L−1 respectively. Apportionment computations indicated that propylene glycol from aircraft deicers and anti-icers was responsible for at least half of the BOD5 and COD concentrations and loadings. Acetate from pavement deicers contributed another 7%–15% at each site. These findings suggest that management actions in the primary outfall drainage area that target propylene glycol–containing deicers have the greatest potential to decrease BOD5 in airport runoff. This work demonstrates the usefulness of BOD and COD apportionment for identifying the deicing products and locations within an airport to prioritize for reduction or recovery and treatment.
Critical Insights into The Return of the Taliban book: Assessing Methodologies, Diverse Perspectives, and Analytical Rigour
Authors: Gulrani Abdul Wahid 
Published: January 2025

Abstract
The Return of the Taliban, by Hassan Abbas, provides a detailed narrative of the Taliban’s resurgence and the political dynamics in Afghanistan. The book offers a chronological and thematic analysis, covering the Taliban’s history, ideological foundations, internal dynamics, and international interactions. It divides the Taliban’s history into three phases: Taliban 1.0 (1994–2001), Taliban (2003–18), and Taliban 3.0 (post-2018). The book critically examines the circumstances leading to the Taliban’s return to power, focusing on the USA–Taliban peace deal of February 2020 and the later fall of Kabul. The analysis extends to the governance challenges faced by the Taliban, their internal rivalries, ideological foundations, and their international relations. The book explores the Taliban’s governance philosophy and the practical difficulties they face, highlighting contradictions within their ideology. It also provides insights into the Taliban’s internal power struggles and their ideological underpinnings influenced by Deobandis. The book concludes with an analysis of the Taliban’s international relations and speculates on their prospects. Despite its comprehensive approach, the book is critiqued for several shortcomings. These include superficial coverage of certain topics, limited economic analysis, potential Western-centric biases, and an overemphasis on political and military aspects at the expense of social, cultural, and economic dimensions. Methodologically, the book relies heavily on secondary sources, leading to a potential selection bias and limiting the depth of analysis. The book’s speculative conclusions on the future of the Taliban also lack empirical support.
Metachronous descending colon volvulus after sigmoidectomy: a case report
Authors: Amare Asratu G , Workneh Gebrehiwot A , Tassew Mequanint T , Kebede Minale M , Tegegne Mengist A , Negussie Michael A 
Published: January 2025

Abstract
Volvulus is the rotation or twisting of the intestine around its vascular pedicle. The occurrence of descending volvulus after sigmoidectomy is extremely rare. We report a case of a 35-year-old male who presented with abdominal distention, cramping, and no passage of feces or gas for three days. He had a history of recurrent sigmoid volvulus, previously treated with sigmoidectomy. On this occasion, clinical examination and imaging revealed a distended bowel with air-fluid levels. During exploratory laparotomy, descending colon volvulus, a rare finding, was confirmed. The patient underwent a left hemicolectomy and transverse stoma and recovered well postoperatively. Descending colon volvulus is a rare but serious complication after sigmoidectomy, and early diagnosis is essential. In volvulus-endemic regions, awareness of this condition is critical to prevent delayed diagnosis and complications.
Photothermal-controlled ICG@ZIF-8/PLGA coating to modify the degradation behavior and biocompatibility of Zn-Li alloy for bone implants
Authors: Zhang Ting , Yu Yameng , Yuan Wei , Ren Zeqi , Cheng Yan , Wu Shuilin , Zheng Yufeng , Xia Dandan 
Published: January 2025

Abstract
Biodegradable Zn alloy have recently gained considerable attention for use in bone implants considering their biodegradability, attractive mechanical properties, and bioactivity. However, excessive corrosion of Zn alloy at the early stage of implantation may cause severe cytotoxicity, resulting in insufficient osseointegration, which hinders the clinical use of the Zn alloy. In this study, we designed a photothermal-controlled degradative hybrid coating as corrosion-protective barrier with the intention of preventing Zn ion burst release during the early stages of implantation and regaining the alloy's corrosion advantage later on. The coating consisting of Zeolite imidazole skeleton-encapsulated indocyanine green core-shell structured nanoparticles and polylactic coglycolic acid (ICG@ZIF-8/PLGA) on pristine Zn-0.8 (wt.%) Li (ZL) alloy. The electrochemical test results indicated that coating ZL with ICG@ZIF-8/PLGA might effectively reduce its corrosion current density (icorr) from 2.48 × 1 0 −5 A•cm−2 to 2.10 × 1 0 −8 A•cm−2. After near-infrared light irradiation, ICG@ZIF-8 heated PLGA coating to reach Tg, so that the coating was degrading, and the icorr of coated ZL alloy decreased to 2.50 × 1 0 −7 A•cm−2, thus restoring corrosion advantage. Both in vitro and in vivo investigations showed that coated ZL alloy had acceptable biocompatibility. Overall, the development of the photothermally controlled coating improved the Zn alloy's resistance to corrosion and allowed for the adjustment of the coated ZL alloy's rate of degradation through the use of 808 nm NIR laser irradiation.
Inside out Monoplacophora: revisiting Neopilina galatheae Lemche, 1957 using µCT scanning
Authors: Ampuero Andre , Sigwart Julia D 
Published: January 2025

Abstract
Neopilina galatheae Lemche, 1957, first collected in the 1950s, was presented as a critical species for understanding animal evolution, particularly in the context of segmentation. Decades later, we have now revisited this iconic species using a newly collected specimen and modern micro-computed tomography (µCT). A comprehensive 3D digital model of the internal anatomy of N. galatheae revealed new complexities within the musculature, digestive, excretory, and reproductive structures, as well as insights to its feeding ecology. Although developmental data for monoplacophorans are still lacking, it has long been clear that the repeated anatomical elements of Neopilina are not true metamerism. Our new results show that the seventh muscle pair is an asymmetrical double muscle bundle, and there are independent pairs of kidneys without interconnections. Monoplacophorans remain a critical and contentious group for the phylogeny of conchiferan molluscs, though recent phylogenomic studies have shown consistency with traditional morphological hypotheses. Understanding body plan evolution in molluscs requires robust anatomical descriptions that can be compared among classes and between living and fossil species. Neopilina galatheae remains the iconic, textbook monoplacophoran; revisiting classic species with modern technology can challenge established views and contribute new perspectives on evolutionary processes.
High Preoperative T1 Slope is a Marker for Global Sagittal Malalignment
Authors: Ani Fares , Ayres Ethan W. , Woo Diann , Vasquez-Montes Dennis , Brown Avery , Alas Haddy , Abotsi Edem J. , Bortz Cole , Pierce Katherine E. , Raman Tina , Smith Micheal L. , Kim Yong H. , Buckland Aaron J. , Protopsaltis Themistocles S. 
Published: January 2025

Study Design:
Retrospective cohort study.

Objective:
To develop parameter thresholds obtainable from cervical radiographs that correlate with concomitant thoracolumbar malalignment.

Summary of Background Data:
T1 slope (T1S) is typically discussed in the context of cervical deformity and correlated with health-related quality of life outcomes. Prior research suggests that T1S is related to global alignment; however, a definition for “high” T1S has not been established. Most patients undergoing cervical surgery do not undergo full-spine imaging; therefore, obtaining a parameter associated with thoracolumbar malalignment from cervical radiographs would be beneficial.

Methods:
A database of preoperative adult spinal deformity (ASD) patients was analyzed. Measures obtained from standing lateral radiographs included T1S, thoracic kyphosis (TK), sagittal vertical axis (SVA), T1-pelvic angle (TPA), pelvic tilt (PT), and pelvic incidence minus lumbar lordosis (PI-LL). Decision tree analysis was then used to determine the T1S corresponding to published thresholds for high TK (40 degrees), SVA (40 mm), TPA (25 degrees), and PT (25 degrees). Alignment between high and normal T1S patients was compared.

Results:
Two hundred twenty-six preoperative patients were included (mean: 58±16 y 62%F). Larger T1S was correlated with greater SVA (r=0.365), TPA (r=0.302), TK (r=0.606), and PT (r=0.230) (all P<0.001). Decision tree analysis yielded a threshold of 30 degrees for high T1S, which 50% of patients had. Compared with patients with T1S <30 degrees, those with T1S >30 degrees had higher TK (41.5 vs. 25.8 degrees), SVA (78.7 vs. 33.7 mm), TPA (27.6 vs. 18.3 degrees), and PT (26.3 vs. 20.8 degrees), and PI-LL (18.2 vs. 11.7 degrees) (all P<0.05). Seventy-nine percent of patients with high T1S had high TK (T1S <30=13%), 69% had high SVA (T1S <30=38%), 66% had high TPA (T1S <30=37%), 60% had PT >25 degrees (T1S <30=42%), and 47% had PI-LL >20 degrees (T1S <30=34%) (all P<0.05).

Conclusion:
Higher T1S was associated with worse global alignment. T1S was most strongly associated with TK. A T1S=30 degrees corresponded to high TK, SVA, TPA, and PT thresholds. Therefore, surgeons should consider obtaining full-spine radiographs if a T1S >30 degrees is present on cervical imaging.
Utility and bias in psychosocial evaluations for transplant listing
Authors: Ladin Keren 
Published: January 2025

Purpose of review
Disparities in access to transplantation are persistent and pervasive among minoritized populations, and remain incompletely explained by socioeconomic status, insurance, geography, or medical factors. Although much attention has been paid to factors contributing to disparities in organ allocation, fewer studies have focused on barriers to the transplant waitlist. Given increasing calls for equity in organ transplantation, we examine the role of nonmedical factors used in transplant listing decisions, including psychosocial factors like social support, motivation, and knowledge in improving utility in transplant listing decisions, as well as their potential for reinforcing bias.

Recent findings
Minoritized groups are more likely to be declined from transplant listing owing to psychosocial criteria. Lack of consistent definitions, screening tools with differential subgroup validity, and insufficient evidence-base contribute to concerns about reliance on psychosocial factors in transplant listing decisions.

Summary
Improving consistency and evidence-based approaches in patient evaluation and listing decisions will require greater efforts to identify which psychosocial risk factors are predictive of posttransplant outcomes. Social needs screening presents a strengths-based framework for incorporating psychosocial factors in transplant listing decisions.
Heat shock protein and Alzheimer’s disease: an updated systematic review
Authors: Raza Hasnain , Ali Asim , Kumar Anish , Hussain Adnan , Shah Syed Ali Waqas , Ghazanfar Shamas , Roshan FNU , Shamim Zainab , Opare Ama Dufie , Tanveer Fariha Shahid 
Published: January 2025

Background:
Alzheimer’s disease (AD) is widely acknowledged as a global medical and social concern, and is characterized by the absence of a definitive cure. One of the primary challenges in AD research is the difficulty in targeting and isolating the intricate biochemical pathways that are implicated in the disease, particularly the mechanisms underlying protein misfolding that lead to the generation of harmful substances. Given the role of misfolding processes in the etiology of AD, there is potential for therapeutic interventions that focus on molecular chaperones.

Objective:
This review evaluated the association between AD and molecular chaperones, focusing specifically on the prominent heat shock proteins (HSPs) that serve as key constituents of the human chaperone.

Methods:
Publications from several electronic databases including PubMed, Scopus, and Web of Sciences, were examined by the reviewers, and 10 articles were selected after the screening process following the PRISMA guidelines. The search was conducted using specific keywords such as HSP, AD, Neurocognitive disorders, and Dementia.

Results:
The findings of our review indicate that HSPs play a role in the process of refolding or degrading misfolded proteins. Additionally, they contribute to the reduction of abnormal protein accumulation and neuronal degeneration, the mitigation of synaptic dysfunction, and the gradual and continuous decline of cognitive function observed in individuals with AD.

Conclusion:
The findings of this study indicate that HSPs have a role in the process of refolding or degrading misfolded proteins.
Accidental finding of sturge weber syndrome presented to the emergency department with persistent seizures: an unusual case report from Somalia
Authors: Iyow Sowdo Nur , Ibrahim Ismail Gedi , Turfan Selim , Osman Ubah Mumin Ali , Ibrahim Muna Abdirahman , Mohamud Mohamed Farah Yusuf 
Published: January 2025

Introduction:
Sturge-Weber syndrome, also known as encephalotrigeminal angiomatosis, is a rare neurocutaneous disorder characterized by the presence of craniofacial capillary malformations (port-wine stain birthmark) in association with leptomeningeal vascular abnormalities. The syndrome is usually sporadic, but some cases may have a genetic basis.

Case Presentation:
Here we report a case of an 18-year-old female who was brought to our Emergency department with a history of seizures and a facial birthmark. Based on the clinical presentation, characteristic facial birthmark, and cranian CT scan findings, the patient was diagnosed with Sturge-Weber syndrome.

Discussion:
This case emphasizes the importance of early recognition of Sturge-Weber syndrome in emergency settings. The patient’s port-wine stain, localized to the distribution of the trigeminal nerve, was a critical clue in guiding the diagnosis. Imaging revealed associated leptomeningeal angiomas, corroborating the clinical suspicion. Such findings underline the necessity for healthcare providers to maintain a high index of suspicion for neurocutaneous disorders in patients presenting with unexplained seizures and specific cutaneous manifestations.

Conclusion:
This case underscores the need for healthcare providers to maintain a high index of suspicion for Sturge-Weber syndrome, particularly in patients presenting with unexplained seizures and distinctive facial cutaneous findings. Early diagnosis and intervention are essential to improve patient outcomes and quality of life. Enhanced awareness and education among medical professionals can lead to timely recognition and management of this rare condition.
Heparin Versus Saline: A Comparative Study to Support Practice Change Within an Organization
Authors: Denke Linda , Allen Meredith , Atem Folefac , Nair Kavitha , Warkola Ramona , Gonzales Miriam 
Published: January 2025

This nurse-led research study investigates the comparative effectiveness of heparin versus 0.9% sodium chloride locking in blood cancer patients with peripherally inserted central catheters (PICCs). Subjects were randomly assigned to receive either heparin or 0.9% sodium chloride locking for up to 7 days. Results show no significant difference in maintaining the PICCs’ patency between the 2 locking methods. Additionally, heparin was associated with more side effects, higher costs, and increased nursing time compared to 0.9% sodium chloride. These findings support adopting 0.9% sodium chloride for PICC maintenance in blood cancer patients, aiming to enhance patient safety and reduce costs.