bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of Replicas and Simulation Length on In Silico Behaviors of a Protein Domain
Authors: Biswas Arumay , Eisert‐Sasse Riley K. , Okafor C. Denise 
Published: October 2024

AbstractMolecular dynamics (MD) simulations are immensely valuable for studying protein structure, function and dynamics. Their ability to capture atomic‐level behavior of molecules and describe their evolution over time makes it a powerful synergistic tool for biochemistry, structural biology and other life sciences. To advance research and knowledge on reasonable timescales, researchers must optimize the amount of useful information extracted from simulation data while often frugally managing computational resources. Often, this involves balancing the length of MD trajectories with the number of replicas of a given system, with the aim of maximizing sampling of the conformational landscape. However, identifying this balance is not always intuitive, and the lack of standards among researchers can produce large variability in results and predictions from MD measurements. Here, we investigate the variability in MD results when simulation length and replica numbers are varied. Using a 231‐amino acid domain, we compare measurements from independent trajectories to a benchmark trajectory of 3, 1000‐ns replicates. We perform these simulations on 27 protein‐ligand complexes, allowing us to compare ligand‐specific rankings of complexes across independent replicas. Our results reveal that some MD measurements are accurately ranked by single trajectories, while others are not. We uncover similar variability in the effects of trajectory lengths on measurements. Our findings suggest that a one‐size‐fits‐all approach to MD simulations is not necessarily the best approach, and depending on the intended measurements and research question, it may be advantageous sometimes to prioritize longer trajectories over multiple replicas. This work provides important considerations for researchers while designing simulation studies.
Optimizing CAR‐NK Cell Transduction and Expansion: Leveraging Cytokine Modulation for Enhanced Performance
Authors: Ingegnere Tiziano , Segain Benjamin , Cozzani Adeline , Carlsten Mattias , Mitra Suman , Gaggero Silvia 
Published: October 2024

AbstractCellular immunotherapy has emerged as one of the most potent approaches to treating cancer patients. Adoptive transfer of chimeric antigen receptor (CAR) T cells as well as the use of haploidentical natural killer (NK) cells can induce remission in patients with lymphoma and leukemia. Although the use of CAR T cells has been established, this approach is currently limited for wider use by the risk of severe adverse events, including cytokine release syndrome and immune effector cell‐associated neurotoxicity syndrome. Moreover, the risk of triggering graft vs host reactions in settings of allogeneic T cell infusion limits the use to autologous CAR T cells if advanced CRISPR engineering is not applied. In contrast, NK cell‐based cancer immunotherapy has emerged as a safe approach even in allogeneic settings. However, efficient transduction of primary blood NK cells with vesicular stomatitis virus G glycoprotein (VSV‐G) pseudotyped lentivirus commonly used for T cell modification remains challenging. This article presents a detailed method that significantly enhances the transduction efficiency of NK cells by utilizing a short‐term culture in cytokine‐supplemented medium. It also encompasses the preparation of high‐titer and high‐quality lentiviral particles for optimal NK cell transduction. Overall, this protocol details the step‐by‐step culture of NK cells in cytokine‐supplemented medium, their transduction with VSV‐G lentiviral vectors, and subsequent expansion for functional assays. © 2024 Wiley Periodicals LLC.Basic Protocol 1: Isolation of NK cells from human peripheral blood mononuclear cells (PBMCs)Basic Protocol 2: NK cell expansion and transduction with lentivirus for generating CAR‐NK cellsSupport Protocol 1: Plasmid amplificationSupport Protocol 2: Lentivirus preparationSupport Protocol 3: Lentivirus titration
Can Carbon be Used as an Anode for Water Splitting?
Authors: Sun Jiali , Dang Yuying , Sun Xiaoyan , Heumann Saskia , Ding Yuxiao 
Published: October 2024

AbstractCarbon materials, whose structural and electronic properties can be fine‐tuned, are promising material solutions for many energy‐related systems. However, due to the lack of fundamental understanding of the carbon surface chemistry, especially when they are used in electrolytes, the rapid development of carbon as electrodes has led to many widely accepted misunderstandings. Focusing on the case of carbon‐based electrode for water splitting, this Viewpoint tries to highlight the main problems of the area and demonstrates/presents the dynamic carbon surface chemistry in the application. The role of carbon as an anode for water splitting is revealed and if it can be practically used in water splitting is discussed.
Towards Practical Antenna Selection Based on Multilabel CNN for Large‐Scale MIMO System in an Indoor Scenario
Authors: Bouchibane Fatima Zohra , Tayakout Hakim , Boutellaa Elhocine 
Published: October 2024

ABSTRACTLarge‐scale multiple input multiple output (MIMO), also known as massive MIMO, serves as a transformative technology that effectively addresses the surging need for data‐intensive applications in the realm of 5G mobile networks and beyond. With a multitude of antennas at its disposal, a large‐scale MIMO base station possesses the capability to concurrently improve by orders of magnitude system spectral and energy efficiencies. Nevertheless, hardware cost and power consumption arise as serious challenge. To circumvent this latter, we investigate the potential of multilabel convolutional neural network (ML‐CNN) to develop an antenna selection (AS) model that based on the available channel state information (CSI) at the transmitter, it dynamically selects the optimal subset of antennas in real‐time. We evaluate the model performance using real indoor channel measurements under three different antenna array configurations. The obtained results demonstrate that the proposed ML‐CNN approach performs similarly to the convex relaxation‐based method, a mathematical technique often used for AS problems that provides optimal solutions with high computation cost, with the advantage of significantly reduced computation time. Moreover, it exhibits strong resilience across various antenna array configurations. Additionally, assessing the ML‐CNN's performance in scenario with imperfect channel estimation confirms its robustness.
Tridiagonal Weighting‐Based Interference Cancellation Method in High‐Mobility OFDM Systems
Authors: Ma Yunzhe , Wen Jiangang , Wang Anding , Zou Yuanping , Hua Jingyu 
Published: October 2024

ABSTRACTIn orthogonal frequency division multiplexing (OFDM) systems, the time‐selective fading channel causes the signal Doppler expansion in high‐mobility scenarios, leading to intercarrier interference (ICI) in the received signals. People had employed a full‐dimensional weighting matrix method to reduce the Doppler‐assisted ICI, though it required a high implementation complexity. In order to reduce the ICI and produce lower complexities, this paper proposes to exploit the tridiagonal weighting matrix to suppress ICIs, in which an optimization problem is constructed to design the tridiagonal weighting matrix, and the nonzero coefficients within the tridiagonal matrix denote optimization variables. Moreover, the optimization objective exploits the system bit error rate (BER) instead of the conventional signal to interference plus noise ratio (SINR), which results in a highly nonlinear optimization problem. Therefore, an iterative solving approach is proposed according to the successive convex approximation (SCA). Simulations show that the proposed method can achieve a good balance between the complexity and BER degradation, especially in the scenario with moderate Doppler spreads.
Lessons from Founding a College: A Personal Perspective
Authors: Fatzinger Jim B. 
Published: October 2024

“Higher education is in a critical period with a potential for rebalancing of internal and external relations of authority, power and responsibility in higher education governance. An important element in this transition has been a growing policy focus on the contributions of higher education institutions are expected to make to economic growth, job creation and innovation.”‐ Peter Maassen, “A New Social Contract for Higher Education?”
Developmental Changes in Locomotion and Sensorimotor Reflexes Following Spinal Cord Transection
Authors: Martes Alleyna C. , Bozeman Aimee L. , Doell Julie , Weedn Katie , Collins Nicholas , Campbell Taylor , Roth Tania L. , Brumley Michele R. 
Published: October 2024

ABSTRACTThe developmental trajectory of weight‐bearing locomotion and sensorimotor reflexes following a spinal cord injury, as well as the mechanisms for plasticity, remain unclear. In rats, the second postnatal week is a critical period for the development and recovery of spinal sensorimotor function. The purpose of the present study was to characterize developmental changes during this time frame to provide a basis for potential interventions and future research. Rats underwent a complete low‐thoracic (T8–T10) spinal cord transection surgery, or sham procedure, on postnatal day (P)1. Spontaneous locomotion and sensorimotor reflexes (surface righting, hindlimb placing, and crossed‐extensor reflex) were tested on P7, P14, or P21. Results show that spinal‐transected and sham rats exhibited the same amount of spontaneous locomotion, but the degree of relative weight bearing on the hindlimbs was different between groups and changed over time. Reflex findings showed that throughout the neonatal period, the isolated lumbar spinal cord can respond to sensory input and execute coordinated motor output following spinal cord transection. These insights contribute to understanding the developmental trajectory of spinal cord function after injury and provide a foundation for interventions to enhance recovery outcomes.
Early Supraspinal Influences on Human Embryonic Posture
Authors: Plasschaert Sophie , Mulders Annemarie , Frudiger Anne , Koning Anton , Steegers‐Theunissen Regine , de Vries Johanna , Steegers Eric , Rousian Melek 
Published: October 2024

ABSTRACTKnowledge of embryonic body posture as a reflection of neurodevelopment is limited. Here, we investigate embryonic body posture, preference, symmetry, and lateralization during periods of rest using virtual reality (VR) and four‐dimensional (4D) ultrasound techniques to enhance our knowledge of neurodevelopment. It is hypothesized that lateralization and asymmetry in embryonic posture are absent. Embryos from low‐risk pregnancies at 9 weeks gestational age (GA) were analyzed using a 30‐min 4D ultrasound and VR techniques. In the middle of an embryonic resting period, the total body posture was determined by combining joint positions. Interindividual and intraindividual postures were analyzed over time to identify posture preferences, asymmetry, and lateralization. Sixteen embryos (N = 210 middle frames out of 210 resting periods) displayed 27 different embryonic body postures. Interindividual and intraindividual variations in postures were seen. Asymmetry was noted in upper extremities, whereas lateralization of the head and spine was observed in nine embryos. Intraindividual and interindividual variation in embryonic posture at 9 weeks’ GA is seen, suggesting the presence of supraspinal influences on body posture this early. Future interdisciplinary longitudinal studies on embryonic posture may provide further insights into embryonic central nervous system development, contributing to our understanding of embryonic health.
Eating Problems Among Adolescent Boys and Girls Before and During the Covid‐19 Pandemic
Authors: Pettersen Johanne H. , Hegemann Laura , Gustavson Kristin , Lund Ingunn Olea , Jensen Pia , Bulik Cynthia M. , Andreassen Ole A. , Havdahl Alexandra , Brandlistuen Ragnhild E. , Hannigan Laurie , Ask Helga 
Published: October 2024

ABSTRACTObjectiveStudies suggest that adolescents reported more eating problems during the pandemic. Using a population‐based sample, we compared eating problems—and how they associate with a range of personal characteristics and genetic factors—among adolescents before (June 2017–April 2020) versus during (April 2020–December 2022) the pandemic.MethodBased on a preregistered analysis plan, we used cross‐sectional data collected from 22,706 14–16‐year‐olds over 6 years (55% during the pandemic) in the Norwegian Mother, Father, and Child Cohort. We used measurement invariance analyses to compare the level of eating restraint and body concern before and during the pandemic, and multi‐group structural equation models to estimate pre‐pandemic and pandemic patterns of associations.ResultsPandemic responders generally reported more eating problems than pre‐pandemic responders, specifically on dieting and body dissatisfaction. However, after adjusting for a general linear increase in eating problems across all 6 years of data collection, the pandemic itself seems to be associated with more eating problems only among girls, reporting more eating restraints (meanΔ = 0.14 [CI: 0.07, 0.20]) and body concern (meanΔ = 0.17 [CI: 0.11, 0.23]). Associations between eating problems and a range of other characteristics did not differ across the pandemic and pre‐pandemic groups.ConclusionsThere was a general increase in eating problems among 14–16‐year‐olds over time. Adjusting for this trend, the pandemic seems to exacerbate problems among girls. Although the mechanisms are unclear, our results point to factors susceptible to change that could have been intensified during the pandemic (e.g., screen time, mental distress). Our results highlight the importance of recognizing sex‐specific differences in eating problems.
Loss of Coral Trait Diversity and Impacts on Reef Fish Assemblages on Recovering Reefs
Authors: Huang Lintao , McWilliam Mike , Liu Chengyue , Yu Xiaolei , Jiang Lei , Zhang Chen , Luo Yong , Yang Jianhui , Yuan Xiangcheng , Lian Jiansheng , Huang Hui 
Published: October 2024

ABSTRACTUnderstanding patterns of biodiversity change is essential as coral reefs experience recurrent cycles of disturbance and recovery. Shifts in the total cover and species composition of habitat‐forming corals can have far‐reaching consequences, including shifts in coral functional traits and impacts on local fish assemblages. We surveyed coral and fish assemblages along the southern coast of Hainan Island near Sanya, China, in 2006, 2010, and 2018, during a period with repeated mass bleaching events. We showed that coral biodiversity in this region is in a state of flux, with losses and gains in coral cover and an increase in species richness over time. Despite increasing species diversity, the region suffered a loss of coral trait diversity by 2010, with an incomplete recovery by 2018, owing to declines in species with key habitat‐forming traits (e.g., high surface areas and fractal structure) such as corymbose corals. Concurrently, there was an increase in functional redundancy due to the proliferation of the dominant encrusting and massive corals. Coral cover was positively associated with the abundance of reef fish, indicating that the changes observed in coral abundance can impact reef‐associated species. These results demonstrate that the slow recovery of coral biodiversity in southern Hainan Island has been hampered by the loss of specific coral traits and highlight the importance of protecting vulnerable coral traits in conservation and management strategies.
Vulnerability, climate laws, and adaptation in the Middle East and North Africa
Authors: Maboudi Tofigh , D'Amico Elisa 
Published: October 2024

AbstractLaws aimed at tackling climate change problems have grown significantly in the last two decades. Following this global trend and under pressure from international institutions and lenders, both rich, oil exporting (i.e., major greenhouse gas [GHG] emitters) and poor, non‐oil rich (i.e., mostly vulnerable nations with lower shares of emission) states in the Middle East and North Africa have hastened to adopt new laws and regulations to mitigate and/or adapt to climate change. The question remains, however, does the adoption of these laws have any measurable impact on these nations' climate change performance? That is, to what degree do these laws have an impact on greenhouse gas emissions or adaptation capacity and readiness? Utilizing a panel data of 660 country‐year observations (22 countries over 30 years), our cross‐national statistical analysis shows that while climate change laws seem to have an impact on GHG emissions, they have so far failed to boost these nations' adaptation capacity. Our case study shows that oil politics and basic development objectives seem to be the key to this failure.
Association of BMI with adherence and outcome in heart failure patients treated with wearable cardioverter defibrillator
Authors: Abumayyaleh Mohammad , Koepsel Katharina , Erath Julia W. , Kuntz Thomas , Klein Norbert , Kovacs Boldizsar , Duru Firat , Saguner Ardan M. , Blockhaus Christian , Shin Dong‐In , Kreimer Fabienne , Gotzmann Michael , Lapp Hendrik , Beiert Thomas , Aweimer Assem , Mügge Andreas , Weiß Christel , El‐Battrawy Ibrahim , Akin Ibrahim 
Published: October 2024

AbstractBackgroundObesity is a known risk factor for cardiovascular disease (CVD), yet an ‘obesity paradox’ has been observed in various CVD contexts. The impact of obesity on heart failure (HF) patients treated with a wearable cardioverter‐defibrillator (WCD) remains underexplored.MethodsIn a multicentre international registry, we retrospectively collected data from a consecutive series of 1003 patients. These patients were divided into three body mass index (BMI) groups: <25 kg/m2 (n = 348), 25–30 kg/m2 (n = 383), and >30 kg/m2 (n = 272), with BMI > 30 kg/m2 defined as the reference category. Demographics, indications, adherence, WCD shocks, arrhythmic events, rehospitalization due to cardiovascular causes, and mortality were analysed.ResultsAt 3 month follow‐up, patients with a BMI > 30 showed the greatest improvement in left ventricular ejection fraction (LVEF) at 51.4%, significantly higher than the 41.4% in those with a BMI < 25 (P = 0.017) and comparable with the 49.4% in the BMI 25–30 group (P = 0.635). WCD wearing time and adherence were similar across all BMI groups. The incidence of WCD shock was similar across BMI groups. Rates of ventricular tachycardia (VT), ventricular fibrillation and non‐sustained VT (ns‐VT) were comparable across BMI groups. The rate of implantable cardioverter‐defibrillator (ICD) implantation was 40.3% across all patients, with a slightly lower rate in the BMI > 30 group (36.8%) compared with others, although not significantly. Rehospitalization due to cardiovascular causes was significantly lower in the BMI > 30 group (55.4%) compared with the BMI 25–30 group (70.9%; P = 0.048), but similar to the BMI < 25 group (54.9%; P = 0.957). At 2 year follow‐up, mortality was lower in the BMI > 30 group (5.9%) compared with the BMI < 25 (7.5%; P = 0.029) and BMI 25–30 groups (7%; P = 0.681). In multivariable analysis, LVEF at long term was significantly associated with a reduction in mortality.ConclusionsObese patients exhibited significantly greater improvement in LVEF, which was associated with reduced mortality. Adherence to WCD therapy was excellent across all BMI groups. ICD implantation occurred in 40.3% of patients, with similar WCD shock rates and arrhythmic events across BMI groups. An obesity paradox was observed, with obese patients demonstrating significantly lower rehospitalization rates due to cardiovascular causes and reduced mortality at follow‐up.
Synthetic Approaches for the Construction of Chiral Aziridines
Authors: Liu Qing‐Hui , Liu Jiaxuan , Han Ya‐Ping , Liang Yong‐Min , Peng Li‐Zeng 
Published: October 2024

AbstractOptically active aziridines represent a pivotal class of rigid three‐membered nitrogen‐heterocyclic compounds found in natural products, pharmaceuticals, agrochemicals, and functional motifs, which have demonstrated outstanding practicability as therapeutic molecular frameworks, versatile synthetic endpoints, and functional materials in both academic and industrial communities. Recent years have witnessed a broad spectrum of prominent breakthroughs in the field of chiral aziridines due to the aziridine‐based rigid and three‐dimensional pharmacophores, which have resulted in streamlining the drug discovery process. Over the past few decades, particular attention has been directed towards the strategically efficient, versatile, and practical assembly of optically active aziridines. These synthesis approaches have demonstrated great potential in the context of the construction of pharmaceutical molecules, biologically and pharmacologically relevant natural products, and functional materials. In this review, several synthetic strategies for the assembly of chiral aziridines are summarized, which could be divided into five categories: (1) Introduction; (2) Construction of optically active aziridines via reactions of olefines with nitrene sources; (3) Construction of optically active aziridines via reactions of imines with carbenes; (4) Construction of optically active aziridines via reaction of azirines; (5) Construction of optically active aziridines via intramolecular cyclization of amine derivatives.
Pay Your Taxes! Stay Behind the Yellow Line!: Testing the Normative Appraisal Scale
Authors: Beramendi Maite Regina , Oceja Luis , Salgado Sergio 
Published: October 2024

ABSTRACTOur attention is constantly drawn by messages that propose to us what should (not) be done in a specific place. According to the Evaluative Model of Normative Appeals (EMNA), we perceive them through a process (normative appraisal) that is structured in three dimensions, and assesses the degree to which the proposal (a) comes from an institution that ensures compliance, (b) avoids physical or psychological damage, and (c) affords the performance of the main intended action. We review the theoretical underpinnings related to these three dimensions, create a scale to measure them (Normative Appraisal Scale, NAS), and validate it in two studies. Specifically, 2376 citizens in eight countries completed the NAS regarding the norms of paying taxes and not drinking on the street (Study 1), and 1544 subway users completed it regarding two transport norms (Study 2). The analyses supported the three‐dimensional structure of the NAS. Furthermore, the NAS increased the prediction when included along with other predictors: sociological variables; social axioms and values (Study 1); and descriptive norm, injunctive norm, personal control, and formal sanction (Study 2). We suggest that the NAS is useful to assess the actual perception of specific normative appeals and anticipate their effectiveness in influencing peoples’ decisions.
Settling model to predict microplastics removal efficiency in wastewater treatments
Authors: Li Fangtian , Zhang Xin , Ji Yun 
Published: October 2024

AbstractMicroplastics (MPs) are plastic particles less than 5 mm and become a good carrier and vectors for contaminants in the environment. Current wastewater treatment technologies, including preliminary treatment, primary treatment, secondary treatment, and tertiary treatment, have a certain removal efficiency for MPs or nano‐scale plastic particles. The settling treatment is employed in several wastewater treatment processes. This work built a settling model based on the Reynolds number, drag coefficient, and settling mechanism to predict the microplastics removal efficiency. Microplastics with larger density difference with wastewater, larger size, and CSF closer to 1 are easily captured and have a higher removal efficiency. The calculated removal efficiency according to density, size distribution, different shapes, and the surface loading rate in the operation of wastewater treatment is in a reasonable removal efficiency range. The removal efficiency increases when the surface loading rate decreases.