bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exchange-correlation kernel for perturbation dependent auxiliary functions in auxiliary density perturbation theory
Authors: Hernández-Segura Luis I. , Olvera-Rubalcava Flor A. , Flores-Moreno Roberto , Calaminici Patrizia , Köster Andreas M. 
Published: August 2024

Abstract
Context
Analytic exchange-correlation kernel formulations are of the outermost importance for density functional theory (DFT) perturbation calculations. In this paper, the working equation for the exchange-correlation kernel of the generalized gradient approximation (GGA) for perturbation dependent auxiliary functions is derived and discussed in the framework of auxiliary density functional theory (ADFT). The presented new formulation is extended to the unrestricted approach, too. A comprehensive discussion of the implementation of the GGA ADFT kernel, using either the native exchange-correlation functional implementations in deMon2k or the ones from the LibXC library, is given. Calculations with analytic exchange-correlation kernels are compared to their finite difference counterparts. The obtained results are in quantitative agreement. Nevertheless, analytic GGA ADFT kernel implementations show substantial improvement in the computational performance. Similar results are reported for analytic second derivatives of effective core potential (ECP) and model core potential (MCP) matrix elements when compared to their finite difference counterparts in molecular frequency analyses.

Method
All calculations are performed in the framework of ADFT as implemented in deMon2k. In the ADFT analytic frequency calculations, auxiliary density perturbation theory was used. The underlying two-center exchange-correlation kernel matrix elements are calculated by numerical integration either with analytic or finite difference kernel expressions. Validation calculations are performed with the VWN and PBE functionals employing DFT-optimized DZVP basis sets in conjunction with automatically generated GEN-A2 auxiliary density function sets. In the (Pt3Cu)n cluster benchmark calculations, the RPBE functional was used. For Pt atoms, the quasi-relativistic LANL2DZ effective core potential with the corresponding valence basis set was employed, whereas for Cu atoms, the all-electron DFT-optimized TZVP basis was applied. The auxiliary density was expanded by the automatically generated GEN-A2* auxiliary function set. We run all benchmark calculations in parallel on 24 cores.
Tensile properties of glaucomatous human sclera, optic nerve, and optic nerve sheath
Authors: Park Joseph , Lee Immi , Jafari Somaye , Demer Joseph L. 
Published: August 2024

AbstractWe characterized the tensile behavior of sclera, optic nerve (ON), and ON sheath in eyes from donors with glaucoma, for comparison with published data without glaucoma. Twelve freshly harvested eyes were obtained from donors with history of glaucoma, of average age 86 ± 7 (standard deviation) years. Rectangular samples were taken from anterior, equatorial, posterior, and peripapillary sclera, and ON sheath, while ON was in native form and measured using calipers. Under physiological temperature and humidity, tissues were preconditioned at 5% strain before loading at 0.1 mm/s. Force–displacement data were converted into engineering stress–strain curves fit by reduced polynomial hyperelastic models and analyzed by tangent moduli at 3% and 7% strain. Data were compared with an age-matched sample of 7 published control eyes. Optic atrophy was supported by significant reduction in ON cross section to 73% of normal in glaucomatous eyes. Glaucomatous was significantly stiffer than control in equatorial and peripapillary regions (P < 0.001). However, glaucomatous ON and sheath were significantly less stiff than control, particularly at low strain (P < 0.001). Hyperelastic models were well fit to stress–strain data (R2 > 0.997). Tangent moduli had variability similar to control in most regions, but was abnormally large in peripapillary sclera. Tensile properties were varied independently among various regions of the same eyes. Glaucomatous sclera is abnormally stiff, but the ON and sheath are abnormally compliant. These abnormalities correspond to properties predicted by finite element analysis to transfer potentially pathologic stress to the vulnerable disk and lamina cribrosa region during adduction eye movement.
Ecological features facilitating spread of alien plants along Mediterranean mountain roads
Authors: Santoianni Lucia Antonietta , Innangi Michele , Varricchione Marco , Carboni Marta , La Bella Greta , Haider Sylvia , Stanisci Angela 
Published: August 2024

AbstractInvasive alien species represent a major threat to global biodiversity and the sustenance of ecosystems. Globally, mountain ecosystems have shown a degree of resistance to invasive species due to their distinctive ecological features. However, in recent times, the construction of linear infrastructure, such as roads, might weaken this resistance, especially in the Mediterranean basin region. Roads, by acting as efficient corridors, facilitate the dispersal of alien species along elevation gradients in mountains. Here, we investigated how the ecological features and road-associated disturbance in native plant communities affected both the occurrence and cover of alien plant species in Central Apennines (Italy). We implemented the MIREN road survey in three mountain transects conducting vegetation sampling in plots located both adjacent to and distant from the roads at intervals of ~ 100 m in elevation. We then used community-weighted means of Ecological Indicator Values for Europe together with Disturbance Indicator Values applied to plant species of native communities as predictors of alien species occurrence and cover in a machine-learning classification and regression framework. Our analyses showed that alien species’ occurrence was greater in proximity to the road where high soil disturbance occurred and in warm- and light-adapted native communities. On the other hand, alien species cover was more strongly related to moderate grazing pressure and the occurrence of nitrophilic plant communities. These findings provide a baseline for the current status of alien plant species in this Mediterranean mountain region, offering an ecological perspective to address the challenges associated with their management under global change.
All Inclusive Climate Policy in a Growing Economy: The Role of Human Health
Authors: Bretschger Lucas , Komarov Evgenij 
Published: August 2024

AbstractStandard climate economics considers damages of climate change to utility, total factor productivity, and capital. Highlighting that air pollution and climate change affect human health and labor productivity significantly, we complement this literature by including human health in a theoretical climate economic framework. Our macroeconomic approach incorporates a separate health sector and provides closed-form analytical solutions for the main model variables. Economic growth is endogenously driven by innovations, which depend on labor availability and productivity. These aspects of the labor force are directly linked to human health, which is harmed by burning fossil fuels. We calculate growth in the decentralized equilibrium and derive optimal climate policy. Calibrating the model by taking standard parameter values we show the economic growth rate to be higher for the planner solution compared to the market outcome. For an optimal climate policy, we find that 44% of total resource stock should be extracted when considering damages to capital, but only 1% of the stock should be extracted in an “all inclusive” approach where health damages are included. The health perspective requires optimal environmental policies that are much more stringent than those normally advocated in climate economics, since harm to human health has negative effects on economic growth, which makes the overall impact of climate change very large.
Sleep Disturbances and Co-sleeping in Italian Children and Adolescents with Autism Spectrum Disorder
Authors: Scarpelli Serena , Menghini Deny , Alfonsi Valentina , Giumello Francesca , Annarumma Ludovica , Gorgoni Maurizio , Valeri Giovanni , Pazzaglia Mariella , De Gennaro Luigi , Vicari Stefano 
Published: August 2024

AbstractThe current study aimed (1) to provide an analysis of the frequency and prevalence of sleep disturbances in a large Italian sample of children and adolescents with ASD, detecting specific predictors of the presence/absence of sleep disorders, (2) to examine the phenomenon of co-sleeping within a subgroup of participants with ASD. A total of 242 children and adolescents with ASD (194 males, mean age 5.03 ± 3.15 years) were included. After the diagnostic procedure, caregivers were requested to complete the Sleep Disturbance Scale for Children (SDSC) to assess sleep disorders among participants. The presence of co-sleeping was investigated in a subgroup of 146 children and adolescents with ASD. An elevated or clinically relevant global score for sleep disorders (≥ 60) was found in 33% of participants. The most prevalent sleep disorder in our group was related to difficulties with sleep onset and sleep maintenance (~ 41% of cases). Sleep disturbances were predicted by higher intelligence quotient (IQ)/developmental quotient (DQ), increased internalizing problems, and elevated parental stress. The subgroup of participants engaged in co-sleeping (N = 87) were younger and had lower IQ/DQ scores, reduced adaptive functioning, and diminished psychological wellbeing than the non-co-sleeping group. Our findings are consistent with the current literature highlighting that insomnia is the most widespread sleep problem associated with ASD. The relationship between IQ/DQ and sleep alterations is a crucial topic that deserves additional research. Future studies should assess sleep by objective measures such as EEG topography to better understand the mechanisms underlying sleep alterations in this neurodevelopmental disorder.
A transformer-based deep reinforcement learning approach for dynamic parallel machine scheduling problem with family setups
Authors: Li Funing , Lang Sebastian , Tian Yuan , Hong Bingyuan , Rolf Benjamin , Noortwyck Ruben , Schulz Robert , Reggelin Tobias 
Published: August 2024

AbstractThe parallel machine scheduling problem (PMSP) involves the optimized assignment of a set of jobs to a collection of parallel machines, which is a proper formulation for the modern manufacturing environment. Deep reinforcement learning (DRL) has been widely employed to solve PMSP. However, the majority of existing DRL-based frameworks still suffer from generalizability and scalability. More specifically, the state and action design still heavily rely on human efforts. To bridge these gaps, we propose a practical reinforcement learning-based framework to tackle a PMSP with new job arrivals and family setup constraints. We design a variable-length state matrix containing full job and machine information. This enables the DRL agent to autonomously extract features from raw data and make decisions with a global perspective. To efficiently process this novel state matrix, we elaborately modify a Transformer model to represent the DRL agent. By integrating the modified Transformer model to represent the DRL agent, a novel state representation can be effectively leveraged. This innovative DRL framework offers a high-quality and robust solution that significantly reduces the reliance on manual effort traditionally required in scheduling tasks. In the numerical experiment, the stability of the proposed agent during training is first demonstrated. Then we compare this trained agent on 192 instances with several existing approaches, namely a DRL-based approach, a metaheuristic algorithm, and a dispatching rule. The extensive experimental results demonstrate the scalability of our approach and its effectiveness across a variety of scheduling scenarios. Conclusively, our approach can thus solve the scheduling problems with high efficiency and flexibility, paving the way for application of DRL in solving complex and dynamic scheduling problems.
Neural networks for the analysis of 2D radio-xenon beta gamma spectra
Authors: Hall Robert , Carpency Thienbao , Scoville James , Vincent Robert Anthony , Caldwell Johnathan 
Published: August 2024

AbstractAtmospheric traces of radioactive xenon can be a strong indicator for underground nuclear fission reactions. 131mXe, 133Xe, 133mXe and 135Xe are the primary gaseous isotopes/isomers currently used to identify and classify nuclear events. During decay, each of these radioactive species produces a unique beta-gamma energy spectra, which can be measured using beta-gamma coincidence counting. Current operational Xe beta-gamma spectrum analysis software relies on Region of Interest (ROI) counting (Bowyer et al. in J Environ Radioact 59(2):139–151, 2002). This algorithm occasionally produces mismeasurements, especially when quantifying meta-stable isomers, due to overlapping ROIs and shifts in detector calibration in fielded systems over time (Ringbom and Axelsson in Appl Radiat Isot 156:108950, 2020). In an attempt to better de-convolve overlapping isotope spectra we have developed a technique that applies a supervised neural-network implemented in TensorFlow with Keras to classify and quantify the isotopes and mixtures of isomers based on their beta-gamma spectra—similar to image recognition. From this, we have improved upon the false-positive rate for classification and regression models, however challenges remain with dealing with differing detector energy calibrations and with estimating measurement uncertainty.
A recent review on ventilation and cooling of underground high-voltage cable tunnels
Authors: Elsaid Ashraf Mimi , Zahran Mohamed S. , Abdel Moneim S.A. , Lasheen Ashraf , Mohamed Islam G. 
Published: August 2024

AbstractThe rapid progression in the current economic cities and the push for societal advancement are driving the development of tall, slim structures that require underground utility tunnels. These tunnels, known as underground services tunnels, are built beneath urban areas and house a variety of main pipelines for gas, heating, and electricity. They serve as underground walkways, high-voltage lines, drainage systems, and water supply networks. The construction of these underground tunnels is essential for facilitating the future growth of buildings and infrastructure without disrupting the streets where utilities were traditionally located in older city layouts. The increase of the quantity of deeply buried extra-long tunnels has increased quickly, leading to geothermal hazards emerging as a significant issue in engineering projects. This research has studied many approaches for ventilation or cooling of underground cable tunnels. Approximately 90% of the utilized techniques consisted of air ventilation, encompassing mechanical, natural, or a combination of both approaches. It is important to consider that this particular method is more commonly employed in regions with higher weather conditions similar to Egypt. Nonetheless, this approach efficiently sustains satisfactory indoor temperatures surrounding cables, guaranteeing that they stay below 40 °C. Nevertheless, in the particular climate region of Egypt, where outdoor temperatures can soar more to 40 °C, it became crucial to subject the air to cooling before it is supplied into the tunnel. The impact of the mist (FOG) system on tunnel cooling was also examined. However, it has been discovered that the humidity levels in tunnels rise excessively, despite the high initial cost involved, particularly in lengthy tunnels. Consequently, it is not regarded as a viable method for cooling cables. Its sole application lies in serving as a fire suppression system for cable tunnels. Approximately 10% of the conducted research employed water cooling, which involved circulating cold water through pipes located next to the cables in rows. As a result of convection heat transfer, the air surrounding the cables in the tunnel is effectively cooled. It was found from this study that mechanical air cooling (ventilation) is the most efficient way of dealing with heat dissipated from cables by convection inside tunnels.
The impact of cultural settings on sustainability narratives: an explorative study with the Indian diaspora
Authors: Speidel Claudia 
Published: August 2024

AbstractAchieving sustainable futures is complicated by the diverse understandings and prioritisations of sustainability issues and practices. A reason for the lack of common ground is the fact that sustainability is a global project which is primarily driven by the North, rather than one that consistently integrates local and cultural diversity. Research has shown that sustainability expectancies of Southern civic society are lacking in the considerations of crucial sustainability frameworks. This investigation focuses on the expectancies of a community with Southern cultural origins and identities—the Indian diaspora in Australia. The unique bicultural positioning of diasporas and their growing influence on the cultural scaffolds of societies, make their assessment of sustainability distinctly relevant and insightful. The objective of this qualitative inquiry was to explore the Australian Indian diaspora’s understanding of sustainability, their prioritisation of diverse sustainability concerns, and the cultural underpinnings of these perceptions and preferences. Seven focus groups including components of the Zaltman Metaphor Elicitation Technique and personal storytelling, were conducted in Sydney, Australia from September to October 2022. This study demonstrates that two distinct sustainability narratives direct the meaning of sustainability—one has a global application and environmental focus, the other a localised Southern application and social focus. Cultural context is critical in directing the adoption of either narrative by mobilising relevant cultural social identities and promoting their resonance. Education emerges as a strategy to reframe the sustainability narrative and create a more balanced sustainability discourse.
Altered expression and localization of nuclear envelope proteins in a prostate cancer cell system
Authors: Sandoval Ariana , Garrido Efrain , Camacho Javier , Magaña Jonathan Javier , Cisneros Bulmaro 
Published: August 2024

Abstract

Background
The nuclear envelope (NE), which is composed of the outer and inner nuclear membranes, the nuclear pore complex and the nuclear lamina, regulates a plethora of cellular processes, including those that restrict cancer development (genomic stability, cell cycle regulation, and cell migration). Thus, impaired NE is functionally related to tumorigenesis, and monitoring of NE alterations is used to diagnose cancer. However, the chronology of NE changes occurring during cancer evolution and the connection between them remained to be precisely defined, due to the lack of appropriate cell models.

Methods
The expression and subcellular localization of NE proteins (lamins A/C and B1 and the inner nuclear membrane proteins emerin and β-dystroglycan [β-DG]) during prostate cancer progression were analyzed, using confocal microscopy and western blot assays, and a prostate cancer cell system comprising RWPE-1 epithelial prostate cells and several prostate cancer cell lines with different invasiveness.

Results
Deformed nuclei and the mislocalization and low expression of lamin A/C, lamin B1, and emerin became more prominent as the invasiveness of the prostate cancer lines increased. Suppression of lamin A/C expression was an early event during prostate cancer evolution, while a more extensive deregulation of NE proteins, including β-DG, occurred in metastatic prostate cells.

Conclusions
The RWPE-1 cell line-based system was found to be suitable for the correlation of NE impairment with prostate cancer invasiveness and determination of the chronology of NE alterations during prostate carcinogenesis. Further study of this cell system would help to identify biomarkers for prostate cancer prognosis and diagnosis.
Factors Associated with the Joint Physical Custody of European Children
Authors: Salin Milla , Meyer Daniel R. , Hakovirta Mia , Lindroos Eija 
Published: August 2024

AbstractUnderstanding patterns of children’s living arrangements (physical custody) in separated families and the factors related to joint physical custody are crucial as custody patterns have significant implications for the well-being of children and parents. In this study we use the 2021 European Union Statistics on Income and Living Conditions Survey (EU-SILC) to provide new evidence of children’s post-separation living arrangements in Europe. Our sample (n = 7,461) is restricted to children of separated or divorced parents residing in their mother’s household and having another parent residing outside of the household. We analyze both the individual-level socioeconomic, family-and child-related characteristics, and country-level variables to explain variation in children’s joint physical custody arrangements. We find that joint physical custody is higher among boys and children in the age groups 6–10 and 11–15. We also find that children with more socioeconomically advantaged mothers (higher education, employed, higher income, homeowners) are more likely to have joint physical custody. Importantly, controlling for individual-level characteristics, both the legal and the gender equality context shape the prevalence of joint physical custody, suggesting that country-level policies and norms may be important.
Place Generator and Place Interpreter: a new methodology to collect data on regular mobility patterns
Authors: Gramsch-Calvo Benjamin , Axhausen Kay W. 
Published: August 2024

AbstractWhen observing the temporal trajectory of an individual, there is a high probability of them visiting an already-known place due to habit and routine in human mobility behavior. To collect data and understand these routine activities, we propose the Place Generator and the Place Interpreter, a survey adapted from the Name Generator and Name Interpreter methodology of social network studies for travel behavior. In the survey, we asked the participants to name the venues they regularly visit for leisure by category. This methodology captures the characteristics of the venues and the reasons to be chosen. We tested this method in the Zurich Metropolitan Area in Switzerland, focusing on leisure activities and the social environment of the venues. Hence, we ask the individuals to describe the reasons for choosing that specific location and the sociodemographic characteristics of the other visitors. This methodology worked well when compared with earlier long-duration GPS tracking surveys. Respondents report, on average, 9.85 locations for nine types of venues, mainly supermarkets and restaurants or cafes, and respondents can describe their similarities with other visitors to that location. The survey is complemented with a survey of sociodemographic characteristics and the respondent’s ego-centric social network to get information on social connections and their impact on leisure activity.