bluuebunny/crossref_metadata_2025_split huggingface dataset:
Building uncertainty-aware mathematical models based on evidence from datasets using grammatical evolution optimization techniques: the case of the obesity dynamics
Authors: Parra Daniel , Hidalgo J. Ignacio , Velasco José-Manuel , Villanueva Rafael-Jacinto 
Published: September 2024

AbstractThis paper introduces a methodology to build mathematical models based on evidence and data sets, considering data and model uncertainty. We study the evolution of obesity in the population, being obesity a consequence of the transmission of unhealthy lifestyle habits and behavioral patterns influenced by social networks (family, friends, peers, etc.). We propose a three-step methodology. First, we create a synthetic data set based on a previous model with real data. Then, we search for dynamic models based on difference equations that best fit the dynamics described by the dataset and their uncertainty (uncertainty-aware). To do this, we use a dynamic structured grammatical evolution algorithm (an algorithm that builds possible models) on which we have defined a grammar (set of possible expressions that can be part of the model). The definition of appropriate grammar is crucial because it allows us to build models that do not contradict the knowledge of the phenomenon studied. However, the data may suggest introducing new terms that indicate the influence of unknown factors. Finally, from among all the models obtained, we will algorithmically search for a selection of them that best describes the uncertainty of the data. This methodology can be applied to various scenarios with available datasets and a limited understanding of the phenomenon. It aims to generate models that not only achieve precision but also incorporate terms that correspond to identifiable processes, which can be explained within the context of the study problem.
Bimetallic Single-Atom Catalysts for Water Splitting
Authors: Deshmukh Megha A. , Bakandritsos Aristides , Zbořil Radek 
Published: September 2024

AbstractGreen hydrogen from water splitting has emerged as a critical energy vector with the potential to spearhead the global transition to a fossil fuel-independent society. The field of catalysis has been revolutionized by single-atom catalysts (SACs), which exhibit unique and intricate interactions between atomically dispersed metal atoms and their supports. Recently, bimetallic SACs (bimSACs) have garnered significant attention for leveraging the synergistic functions of two metal ions coordinated on appropriately designed supports. BimSACs offer an avenue for rich metal–metal and metal–support cooperativity, potentially addressing current limitations of SACs in effectively furnishing transformations which involve synchronous proton–electron exchanges, substrate activation with reversible redox cycles, simultaneous multi-electron transfer, regulation of spin states, tuning of electronic properties, and cyclic transition states with low activation energies. This review aims to encapsulate the growing advancements in bimSACs, with an emphasis on their pivotal role in hydrogen generation via water splitting. We subsequently delve into advanced experimental methodologies for the elaborate characterization of SACs, elucidate their electronic properties, and discuss their local coordination environment. Overall, we present comprehensive discussion on the deployment of bimSACs in both hydrogen evolution reaction and oxygen evolution reaction, the two half-reactions of the water electrolysis process.
Evaluation of activated carbon fiber packed-bed for the treatment of gas-to-liquid wastewater: experimental, modeling and ASPEN Adsorption simulation
Authors: Yousef Roghayeh , Qiblawey Hazim , El-Naas Muftah H. 
Published: September 2024

AbstractThis study investigates the continuous adsorption treatment of gas-to-liquid (GTL) wastewater from the Fischer-Tropsch process using activated carbon fiber (ACF) as the adsorbent. ACF, characterized by a high surface area of 1232 m²/g, was utilized to treat actual GTL wastewater, which contains long and short-chain alcohols, fatty acids, and other hydrocarbons. Experimental analysis, packed-bed modeling and simulation using ASPEN Adsorption were employed to understand the dynamics of the adsorption process. The experimental setup involved a bench-scale column packed with specified masses of ACF, with GTL wastewater pumped upward through the column at varying flow rates. Breakthrough curves were constructed to assess column performance, with parameters, such as feed flow rate (5 and 10 mL/min) and packing mass (5 and 10 g) systematically varied. The results demonstrate a significant influence of these parameters on column performance, with higher flow rates initially accelerating adsorption kinetics. Conversely, increasing packing mass extends the duration of column saturation, improving efficiency. Empirical models, including the Yoon-Nelson and El-Naas et al. models were applied to fit the experimental data, with the latter showing superior performance in representing the adsorption mechanism within the column. Quantitative analysis of model fitting using Akaike Information Criteria (AIC) identified the Yoon-Nelson and El-Naas et al. model as the most suitable for describing the GTL wastewater/ACF system, with an AIC weight parameter of 0.33 and R2 averaging 86.5%. Furthermore, simulation results from ASPEN Adsorption exhibited strong agreement with experimental data, validating its efficacy for simulating liquid adsorption processes. The study provides valuable insights into the design and optimization of large-scale wastewater treatment systems, offering practical solutions to address global water challenges.
Adaptive Simultaneous Stochastic Optimization of the Escondida Mining Complex, Chile
Authors: Del Castillo M. Fernanda , Dimitrakopoulos Roussos , Maulen Marco 
Published: September 2024

AbstractThis paper presents the application of adaptive simultaneous stochastic optimization with a representative branching framework to generate a strategic mining plan for the Escondida mining complex, the world’s largest copper-production operation. This adaptive stochastic optimization considers geological uncertainty while integrating investment and operational alternatives in the production schedule of a mining complex. Mining complexes are comprised of interconnected components affected by multiple sources of uncertainty. Thus, they must be optimized simultaneously in order to maximize their value, manage environmental impacts, and minimize risk. Additionally, due to the extensive lives of assets and the dynamic and uncertain environment in which mining complexes operate, it is not reasonable to assume that the current strategic plan will remain optimal. Thus, an operationally feasible method to embed alternatives in the mine plan is used. The method utilized provides a strategic plan with representative branches for future possible investment decisions. Adaptive decisions are made sequentially over time, activating costs and effects over the model. The optimization process chooses the optimal strategic production plan accordingly, as well as the investments made and their timing. The Escondida mining complex is a multi-element, multi-pit operation with nine different processing destinations. Investment options considered herein are truck and shovel fleet sizing, adding a secondary crusher in one of the plants, and investing in a main crusher assigned to one of the pits. Additionally, operational alternatives at the mine and plant levels are included. The adaptive solution shows a substantial probability that the mine plan might change its design substantially due to geological uncertainty, presenting an increased expected net present value when compared to the previously developed stochastic mathematical programming formulation that does not consider adaptive decisions, thus generating a single static strategic production plan for the related mining complex. Further studies at the Escondida mining complex can consider adoptive solutions integrating capital investments pertinent to climate change issues.
Epigenetic tuning of tumour-associated macrophages (TAMs): a potential approach in hepatocellular carcinoma (HCC) immunotherapy
Authors: Helal Israa M. , Kamal Monica A. , Abd El-Aziz Mostafa K. , El Tayebi Hend M. 
Published: September 2024

Abstract
Recent development in immunotherapy for cancer treatment has substantiated to be more effective than most of the other treatments. Immunity is the first line of defence of the body; nevertheless, cancerous cells can manipulate immunity compartments to play several roles in tumour progression. Tumour-associated macrophages (TAMs), one of the most dominant components in the tumour microenvironment, are recognized as anti-tumour suppressors. Unfortunately, the complete behaviour of TAMs is still unclear and understudied. TAM density is directly correlated with the progression and poor prognosis of hepatocellular carcinoma (HCC), therefore studying TAMs from different points of view passing by all the factors that may affect its existence, polarization, functions and repolarization are of great importance. Different epigenetic regulations were reported to have a direct relation with both HCC and TAMs. Here, this review discusses different epigenetic regulations that can affect TAMs in HCC whether positively or negatively.
A spatiotemporal analysis of NATO member states' defense spending: how much do allies actually free ride?
Authors: Kuokštytė Ringailė , Kuokštis Vytautas 
Published: September 2024

Abstract
Concerns over free riding in NATO are widespread. An intuitive approach to analyzing free riding is treating it as a systematic pattern of spatial interdependence between the allies: how does a NATO member's defense spending react to changes in other allies' military expenditures? While recent work has found statistically significant free riding (negative spatial interdependence in the outcomes), it suffers from important limitations. First, this research does not adequately account for temporal dependence. Second, it does not quantify the effect of interest. Accounting directly for temporal dependence provides a meaningfully distinct perspective on the within-alliance dynamics, demonstrating that the spatiotemporal effect of free riding is, in fact, more substantial than its short-run effect, challenging inferences of static spatial models. We discuss the relevant practical and theoretical implications.
Punched Holes: Piano Rolls and the Visual Representation of Sound in White-Smith v. Apollo (1908)
Authors: Paul David C. 
Published: September 2024

Abstract
In its ruling on White-Smith v. Apollo (1908), the Supreme Court declared that the punched holes of a player piano roll did not constitute a form of writing, and thus fell outside the purview of copyright statutes. Because the decision was superseded by the Copyright Act of 1909, which extended copyright coverage to piano rolls and sound recordings, commentators have relegated White-Smith v. Apollo to the status of legal footnote. The case, however, deserves closer attention. It reveals much about the fault lines between the auditory experience of music and its visual representation at the beginning of the era of recorded sound. Witness testimony is notable for its disquisitions on the history of musical notation, exegeses of recently patented notation systems, and philosophical ruminations on the nature of a musical work in relationship to its visual representation and sonic instantiation. Trial proceedings show how the perforations of a piano roll, which were more evocative of traditional musical notation than soundwaves etched on a phonograph cylinder or disc, destabilized the mundanity of reading music. Moreover, this instability suggests an explanation for why the piano rolls figuring in the case featured the music of Adam Geibel. The composer was blind, and in a lawsuit about the textuality of music, his disability served to contrast musical sights and sounds. Moreover, White-Smith v. Apollo furnishes a means of bringing the player piano out of the shadow of the phonograph, giving it a place in the “separation of the senses” that media scholars identify with modernity.
The constitutional codification of academic freedom over time and space
Authors: Spannagel Janika 
Published: September 2024

Abstract
This article explores the global spread of domestic codifications of academic freedom norms by mapping constitutional provisions over time and space. Drawing on the new Academic Freedom in Constitutions dataset, the study evaluates several hypotheses that may explain the norm’s geographically diverse, yet comparatively limited, adoption in 52 per cent of constitutions today. The descriptive analysis of constitutional adoption patterns suggests that the as yet large pockets of absence are a result of the fact that academic freedom was not included as a fundamental right from the early days of constitution-making, combined with its close link to higher education development, thus locking many countries into a path dependency of early constitutions exclusive of academic freedom norms. The availability of relevant models in nearby countries, together with higher education expansion, are key facilitators of academic freedom adoption at the critical time of a constitutional reform process. Diverse countries in different regions acted as norm entrepreneurs, often motivated to domestically protect academic freedom, thus leading to the emergence of regional and other clusters of academic freedom reference types. A sizeable proportion of insincere adopters further suggests that, in some regions, academic freedom serves as a legitimizing international norm.
Onset for Active Swimming of Microorganisms to Shape Their Transport in Turbulent Open Channel Flows
Authors: Wu Zi , Zeng Li , Li Guangmiao , Gong Zheng , Zhan Jie , Jiang Weiquan , Xu Mengzhen , Fu Xudong 
Published: September 2024

AbstractResearch on active particles has primarily focused on transport in relatively weak flows, during which their active swimming plays a significant role. However, in natural or manmade waterways, the ambient flow velocity and water depth can be on the order of approximately 1 m/s and 1 m, respectively, generating turbulent diffusion that may be strong enough to potentially dominate the transport process, so that the active swimming might be negligible. In this paper, we propose a theoretical framework aiming at identifying the threshold at which the effects of active swimming become significant, under conditions of insufficient data for motion statistics of swimmers. While deriving the governing equation, we find that only the vertical component of the mean swimming has the potential to significantly influence the transport process. This manifests as the characteristic of inducing a non‐uniform vertical concentration distribution, in competition with the mechanism of turbulent diffusion, which leads to a uniform distribution. We obtain the analytical solution for the vertical concentration distribution, with the key dimensionless parameter α representing the interplay between the active swimming and turbulent diffusion. The threshold is found to be approximately at the order of magnitude of α ∼ 0.1, below which active swimming is considered negligible. The theoretical predictions are validated by numerical simulations employing Direct Numerical Simulation and particle tracking methods. Applying the theory to two types of microorganisms transported under different flow conditions suggests that there are typical scenarios where the active swimming is negligible, and the swimmers can be treated as passive particles.
Exploring the Spatiotemporal Heterogeneity of Stream Nitrogen Concentrations in a Typical Human‐Activity‐Influenced Headwater Watershed in South China
Authors: Fu Congsheng , Zhang Haixia , Wu Huawu , Wu Haohao , Cao Yang , Xia Ye , Zhu Zichun 
Published: September 2024

AbstractStream nitrogen concentrations significantly impact nitrogen loads and greenhouse gas emissions, but their spatiotemporal heterogeneity and human influences remain highly uncertain. This study thoroughly explored the spatiotemporal variations in stream nitrogen concentrations in a typical headwater watershed in South China. Spatially distributed measurements were conducted during 2020–2022, and mathematical modeling was implemented based on incorporating these data. More than 4,400 data points were collected for water temperature and concentrations of ammonium nitrogen (NH4‐N), nitrate nitrogen (NOx‐N), dissolved total nitrogen (DTN), total nitrogen (TN), and dissolved oxygen. Results showed that NOx‐N was the largest component of TN, with average concentrations of 1.20 and 1.66 mg L−1, respectively. The stream N2O concentration could be predicted using NH4‐N and NOx‐N concentrations via the Michaelis‐Menten equation. Significant downstream decreases in NH4‐N, NOx‐N, DTN, and TN concentrations were identified in the largest river in the watershed, and clear spatial differences in these nitrogen concentrations existed among the three main rivers. Clear seasonal and annual variations in stream nitrogen concentrations were observed. NH4‐N, NOx‐N, DTN, and TN concentrations correlated with cumulative precipitation from the preceding 8–12 days, while stream N2O concentrations correlated over 13–20 days. Stream N2O concentrations and emissions averaged 12.77 nmol L−1 and 1.12 nmol m−2 s−1, respectively, and were lower in summer than in other seasons. Upstream tea plantations, villages, and adjacent agricultural lands significantly affected nitrogen concentrations, while overflow dams did not. These findings highlight nitrogen cycle's complexity and the need for high‐resolution data to guide effective watershed management.
Lactation-focused audio relaxation versus standard care for mothers of very preterm infants (the EXPRESS randomised clinical trial)
Authors: Levene Ilana , Hardy Pollyanna , Bell Jennifer L. , Cole Christina , Stanbury Kayleigh , O’Brien Frances , Fewtrell Mary , Quigley Maria A. 
Published: September 2024

Abstract
Background
Mothers of very premature newborns often have low milk supply. Systematic review has shown increased milk quantity with relaxation interventions. We hypothesised that a self-directed audio relaxation and lactation-specific visualisation would increase milk quantity after a very premature birth.

Methods
Unmasked, randomised, controlled trial, recruiting 132 participants in four United Kingdom neonatal units. Eligible women had given birth to one or two infants between 23+0 and 31+6 weeks of gestation. The intervention was a 12-min voice recording including breathing exercises, muscle relaxation and lactation-specific visualisation. Primary outcome was the highest 24-h breastmilk weight expressed on any of day 4, day 14 or day 21 after birth.

Results
Mean birth gestation was 27.8 weeks (SD 2.4), with 26% of participants giving birth under 26 weeks (34/132). Adjusted mean difference in primary outcome was 73.9 g (95% CI −61.7 to 209.5, p = 0.28). Spielberger State-Trait Anxiety Index adjusted mean difference was −1.9 (−8.2 to 4.3, p = 0.54). The majority of relaxation group participants felt the intervention was relaxing (32/42, 76%).

Conclusions
There was no beneficial effect of this relaxation intervention on milk quantity. Mothers of very premature infants may value relaxation interventions but they are unlikely to have a large effect on milk quantity.

Impact

This randomised trial did not show a beneficial effect of a self-directed audio relaxation and visualisation on mothers’ own milk quantity expressed after very preterm birth.

Mothers of very and extremely preterm infants may value relaxation interventions, but they are unlikely to have a large effect on milk quantity.

Prior systematic review of mixed populations has shown an increase in mothers’ own milk quantity with relaxation interventions. Combining this study with existing meta-analysis could result in a new hypothesis that the lower the gestation at birth, the smaller the impact of relaxation on milk quantity.
The genetic architecture of protein stability
Authors: Faure Andre J. , Martí-Aranda Aina , Hidalgo-Carcedo Cristina , Beltran Antoni , Schmiedel Jörn M. , Lehner Ben 
Published: September 2024

AbstractThere are more ways to synthesize a 100-amino acid (aa) protein (20100) than there are atoms in the universe. Only a very small fraction of such a vast sequence space can ever be experimentally or computationally surveyed. Deep neural networks are increasingly being used to navigate high-dimensional sequence spaces1. However, these models are extremely complicated. Here, by experimentally sampling from sequence spaces larger than 1010, we show that the genetic architecture of at least some proteins is remarkably simple, allowing accurate genetic prediction in high-dimensional sequence spaces with fully interpretable energy models. These models capture the nonlinear relationships between free energies and phenotypes but otherwise consist of additive free energy changes with a small contribution from pairwise energetic couplings. These energetic couplings are sparse and associated with structural contacts and backbone proximity. Our results indicate that protein genetics is actually both rather simple and intelligible.
Application of PLA/GO/ZnO and PLA/GO/Cu2O as sensor
Authors: Amin Khaled S. , Yassin Mohamed M. , Abdallah Yahia M. , Alsayyad Yusuf M. , Elhaes Hanan , Ibrahim Medhat A. 
Published: September 2024

AbstractPolylactic acid modified with graphene oxide (PLA/GO) is proposed to interact with ZnO through 6 different schemes. Density functional theory at B3LYP/LANL2DZ level was utilized to calculate total dipole moment (TDM), HOMO/LUMO energy gap (ΔE) and to map the molecular electrostatic potential (MESP). Results indicated that PLA/GO interacted with ZnO through O-atom forming PLA/GO/OZn composite. This composite interacts with methane, hydrogen sulfide, humidity (H2O), carbon dioxide and ethanol. The same gases were supposed to interact further with PLA/GO/Cu2O. Adsorption energy for the interaction between each composite and the proposed gases were calculated. Both PLA/GO/OZn and PLA/GO/Cu2O composites interacted favorably with H2O. Adsorption energy for interaction of other gases with studied structures are generally low compared to H2O. PLA/GO/OZn have adsorption energy slightly higher than that of PLA/GO/Cu2O. PLA/GO/OZn has higher TDM values than those of PLA/GO/Cu2O, indicating a more polar material. Conversely, PLA/GO/Cu2O exhibited larger ΔE values than those of PLA/GO/OZn. TDM and energy gap results for both studied structures indicated good sensing capabilities. Further insights come from analyzing the calculated density of states (DOS) and partial density of states (PDOS). PLA/GO/Cu2O exhibited high peak for copper in its DOS and PDOS spectra compared to zinc and oxygen in case of PLA/GO/OZn. This means a higher density of available electronic states associated with Cu.
Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes
Authors: David Grégoire , Le Guennic Boris , Reta Daniel 
Published: September 2024

The impact of structural and chemical modifications on magnetic exchange couplings in mixed-valence gadolinium-based (CpiPr5)2Gd2I3 compounds is investigated by means of the DFT-based decomposition method.