bluuebunny/crossref_metadata_2025_split huggingface dataset:
Speedy synthesis of magnetite/carbon dots for efficient chromium removal and reduction: a combined experimental and DFT approach
Authors: Tohamy Hebat-Allah S. 
Published: November 2024

AbstractMagnetic carbon dots (Fe3O4/N–CQDs) was prepared by and eco-friendly and one-step microwave method using sugarcane bagasse (SB) as a starting material, and applied to remove ad reduce Cr(VI) in wastewater. The magnetization process was performed by a novel microwave method instead of the long time conventional co-precipitation method. The prepared Fe3O4/N–CQDs showed high saturated magnetization (Ms ~ 38.047 emu/g). When neat N–CQDs and Fe3O4/N–CQDs were applied to adsorb Cr(VI), the R% was slightly higher in the case of Fe3O4/N–CQDs (93.86%) compared to N–CQDs (91.73%). Moreover, the reduction rate of Cr(VI) by Fe3O4/N–CQDs was higher than the N–CQDs. The study confirmed the presence of magnetic iron oxide (Fe-O) in the N–CQDs at 655 cm−1 using FTIR spectroscopy. Interestingly, XRD analysis revealed peaks indicative of elemental iron (Fe(0)) alongside the iron oxide. Furthermore, TGA/DTG analysis showed a significantly higher weight residue (∑RW) for Fe3O4/N–CQDs compared to N–CQDs alone, suggesting enhanced thermal stability due to the Fe3O4 component. This stability is further supported by higher activation energy (∑A) and pre-exponential factor (∑s) obtained for Fe3O4/N–CQDs compared to N–CQDs. The prepared Fe3O4/N–CQDs showed higher fluorescence compared to the N–CQDs, which make them suitable as a chemosensor for the future work. In addition, DFT calculations confirmed the high stability of the Fe3O4/N–CQDs compared to N–CQDs.
Graphical Abstract
Structural molecular modeling of bacterial integral membrane protein enzymes and their AlphaFold2 predicted water-soluble QTY variants
Authors: Sajeev-Sheeja Akash , Zhang Shuguang 
Published: November 2024

Abstract
Context
Beta-barrel enzymes are an important area of study in the field of structural biology. These proteins serve crucial roles, acting as porins, transporters, enzymes, virulence factors, and receptors. Recent research has unveiled a novel role for beta-barrel enzymes in the bacterial integral membrane as sentinels. They remain inactive when the integral membrane is intact but activate to carry out enzymatic catalysis in response to host immune responses and antibiotics that breach this barrier. Understanding their structure and function is pivotal in grasping their sentinel role in the bacterial integral membrane. Here we present our structural molecular modeling analyses on four bacterial integral membrane beta-barrel enzymes: (a) OMPLA, (b) OmpT, (c) PagP from E. coli, and (d) PagL from Pseudomonas aeruginosa. We superposed the structures of native beta-barrel integral membrane enzymes with their AlphaFold2-predicted QTY variant structures that showed remarkable similarity despite the replacement of at least 22.95% amino acids in transmembrane regions, the superposed structures displayed notable structural similarity, indicated by RMSD values ranging from 0.181 Å to 0.286 Å. We also analyze the hydrophobicity patches and the enhanced hydrophilic surfaces. Our research provide insights into the structural similarity of hydrophobic and hydrophilic beta-barrel enzymes, validating the utility of the QTY code for investigating beta-barrel membrane enzymes. Our results not only demonstrate that the QTY code serves as a straightforward tool for designing water-soluble membrane proteins across various biological contexts, but it may also stimulate experiments to validate our molecular modeling studies.

Methods
All the QTY variant beta-barrel enzyme structure prediction was performed using the AlphaFold2 program (https://github.com/sokrypton/ColabFold) following the provided instructions. Computations were carried out on 11th Gen Intel Core i5-11300H processor with 16 GB RAM and Iris Xe Graphics, 512 GB NVMe SSD. The structures are publicly available on the AlphaFold2 database (https://alphafold.ebi.ac.uk) at the European Bioinformatics Institute (EBI). A custom Python script was used to extract the relevant information from the UniProt database. To predict the structures of the QTY variants, AlphaFold2 was utilized. The native sequences for these enzymes were retrieved from UniProt https://www.uniprot.org, and AlphaFold2 structural predictions were performed using the open-source implementation at https://github.com/sokrypton/ColabFold. The predicted variant structures were then superposed with the native structures using PyMOL https://pymol.org/2/ for structural analysis and comparison. This work leverages public databases PDB, UniProt and open-source software AlphaFold2 and PyMOL to computationally model and analyze QTY variant integral membrane beta-barrel enzyme structures.

Graphical abstract
Leveraging OCR and HTR cloud services towards data mobilisation of historical plant names
Authors: Sadek Jawad , Vlachidis Andreas , Pickering Victoria , Humbel Marco , Metilli Daniele , Carine Mark , Nyhan Julianne 
Published: November 2024

AbstractWe present our solution to the problem of how to mobilise (that is, extract and enrich) digital data from the analogue, printed book version Sir Hans Sloane’s copy of John Ray’s Historia Plantarum, to create the first searchable facility of its kind to the plants contained in the Sloane Herbarium, housed in the National History Museum UK. The data mobilisation workflow presented here enables the automatic detection of printed and handwritten marginalia text and annotations in Sir Hans Sloane” personal copy of John Ray’s Historia Plantarum. The rationale of adopting AWS Amazon’s Textract service and the development of a specialised information extraction workflow for mobilising printed text and handwritten annotations is discussed. Testing of our workflow demonstrates the need for human-checking of outputs to ensure the accuracy of a large set of structured data comprising 7600 plant names and 4540 handwritten marginalia annotation. The links we have created serve as the first digital index to Sloan’s Herbarium, a unique development in the longer analogue and digital format-history of these resources.
On the effectiveness of insurance mechanisms for older individuals in China
Authors: Fang Jingyi , Sawada Yasuyuki 
Published: November 2024

AbstractDoes consumption smoothing among older individuals over time and across households indicate the efficiency of overall insurance mechanisms against health shocks? And what is the extent of suboptimality in various market and non-market insurance arrangements? To address these questions, we utilize panel data from the China Health and Retirement Longitudinal Study (CHARLS) spanning 2011, 2013, 2015, and 2018 to evaluate the effectiveness of both institutional and informal insurance mechanisms for older individuals in China. While conventional tests generally support consumption smoothing for essential items across time and individuals in response to adverse health shocks, our findings indicate that the welfare costs associated with these shocks are not insignificant, particularly in rural areas. These results underscore the need for strengthened long-term care, pension systems, and other social safety nets, which could enhance welfare even when consumption appears resilient to shocks.
A Comparison of the Physical Characteristics of Adolescent Female, Academy Cricket Players
Authors: Pote Lee , Nicholls Scott , Keenan James , Cresswell Anya-Mae , Woodward Jon , Christie Candice 
Published: November 2024

Abstract
Purpose
Women’s cricket has grown in popularity over the last decade, however despite this there is a paucity of literature examining the female version of the game. Furthermore, no research has examined the physical attributes of female cricketers, particularly adolescents. Therefore, the purpose of this research was to develop a physical profile for u/11, u/13, u15, and u/18 female adolescent cricket players.

Methods
One hundred and five (age: 13.00 ± 2.37 years, stature: 156.91 ± 12.06 cm, mass: 50.85 ± 10.40 kg) female academy players were profiled for body composition, flexibility, lower and upper body power, sprint speed, and change of direction ability.

Results
Both the u/11 and u/13 age groups differed significantly (P < 0.05) to each other and the u/15 and u/18 age groups for stature, lower and upper limb power, and change of direction time. No significant differences (P < 0.05) were observed for all tests between the u/15 and u/18 age groups.

Conclusion
The findings of this investigation provide normative data for adolescent female cricketers that can be used by strength and conditioning coaches for the implementation of scientifically based training programs, as well as to set goals to identify progression in physical ability during maturation and training. Additionally, the study is relevant for coaches working within the age group to support their own learning and development within the applied nature of coaching and support of their female athletes.
Trimming the Johnson bonsai
Authors: Cabello Sánchez Félix , Castillo Jesús M. F. , Moreno Yolanda 
Published: November 2024

AbstractWe show that if $$p>1$$

p
>
1

every subspace of $$\ell _p(\Gamma )$$

ℓ
p

(
Γ
)

is an $$\ell _p$$

ℓ
p

-sum of separable subspaces of $$\ell _p$$

ℓ
p

, and we provide examples of subspaces of $$\ell _p(\Gamma )$$

ℓ
p

(
Γ
)

for $$0<p\le 1$$

0
<
p
≤
1

that are not even isomorphic to any $$\ell _p$$

ℓ
p

-sum of separable spaces, notably the kernel of any quotient map $$\ell _p(\Gamma )\rightarrow L_1(2^{\Gamma })$$

ℓ
p

(
Γ
)

→

L
1

(

2
Γ

)

with $$\Gamma $$
Γ
uncountable. We involve the separable complementation property (SCP) and the separable extension property (SEP), showing that if X is a Banach space of density character $$\aleph _1$$

ℵ
1

with the SCP then the kernel of any quotient map $$\ell _p(\Gamma )\rightarrow X$$

ℓ
p

(
Γ
)

→
X

is a complemented subspace of a space with the SCP and, consequently, has the SEP.
Point clouds to as-built two-node wireframe digital twin: a novel method to support autonomous robotic inspection
Authors: Azizi Zade Farzad , Ebrahimkhanlou Arvin 
Published: November 2024

AbstractPrevious studies have primarily focused on converting point clouds (PC) into a dense mech of 3D finite element models, neglecting the conversion of PCs into as-built wireframe models with two-node elements for line elements such as beams and columns. This study aims to demonstrate the feasibility of this direct conversion, utilizing building framing patterns to create wireframe models. The study also integrates the OpenSeesPy package for modal analysis and double integration for bending estimation to demonstrate the application of the presented method in robotic inspection. Results indicate the successful conversion of a 4-story mass timber building PC to a 3D structural model with an average error of 7.5% under simplified assumptions. Further, two complex mass timber shed PCs were tested, resulting in detailed wireframe models. According to resource monitoring, our method can process ∼593 points/second, mostly affected by the number of neighbors used in the first stage of sparse points removal. Lastly, our method detects beams, columns, ceilings (floors), and walls with their directions. This research can facilitate various structural modeling directly based on PC data for digital twinning and autonomous robotic inspection.
Assessing evidence-based training in a collaborative virtual reality flight simulator
Authors: Cross J.I. , Ryley T. 
Published: November 2024

AbstractIn recent times, there has been increased focus on the utilisation of virtual reality flight simulators in flight training, driven by their advantages compared to conventional methods. However, a paucity of empirical evidence has prevented their widespread introduction and regulatory approval. Existing research focuses on single-user simulators, leaving a gap in studies of collaborative training within virtual environments. Consequently, this paper investigates evidence-based simulator training within a collaborative virtual environment.A mixed methods approach was adopted, where behaviours related to industry-standard competencies were observed in a virtual reality complex aircraft and thematic analysis applied to a post-experiment participant debrief. The findings showcase the feasibility of utilising a collaborative virtual environment for evidence-based training purposes in scenarios aligned to typical initial First Officer airline training programmes, which is a precursor to supplementing traditional professional pilot training techniques. In addition, the study found that the visual barriers imposed by head-mounted displays were overcome through the adoption of refined communication strategies, thus laying the groundwork for physically separated multi-crew pilot training.
Correlating clinical course with baseline subcortical shape in provisional tic disorder
Authors: Che Tiffanie , Kim Soyoung , Greene Deanna J. , Heywood Ashley , Ding Jimin , Hershey Tamara , Schlaggar Bradley L. , Black Kevin J. , Wang Lei 
Published: November 2024

AbstractObjectiveThis study examined children at the onset of tic disorder (tics for less than 9 months: NT group), a population on which little research exists. Here, we investigate relationships between the baseline shape and volume of subcortical nuclei, diagnosis, and tic symptom outcomes.Methods187 children were assessed at baseline and a 12-month follow-up: 88 with NT, 60 tic-free healthy controls (HC), and 39 with chronic tic disorder/Tourette syndrome (TS), using T1-weighted MRI and total tic scores (TTS) from the Yale Global Tic Severity Scale to evaluate symptom change. Subcortical surface maps were generated using FreeSurfer-initialized large deformation diffeomorphic metric mapping. Linear regression models correlated baseline structural shapes with follow-up TTS while accounting for covariates, with relationships mapped onto structure surfaces.ResultsWe found that the NT group had a larger right hippocampus compared to HC. Surface maps illustrate distinct patterns of inward deformation in the putamen and outward deformation in the thalamus for NT compared to controls. We also found patterns of outward deformation in almost all studied structures when comparing the TS group to controls. The NT group also showed consistent outward deformation compared to TS in the caudate, accumbens, putamen, and thalamus. Subsequent analyses including clinical symptoms revealed that a larger pallidum and thalamus at baseline correlated with less improvement of tic symptoms at follow-up.ConclusionThese observations constitute some of the first prognostic biomarkers for tic disorders and suggest that these subregional shape and volume differences may be associated with the outcome of tic disorders.
The globalization of academic freedom
Authors: Börzel Tanja A. , Spannagel Janika 
Published: November 2024

Abstract
Liberal democracies and illiberal regimes alike recognize academic freedom as a norm that enables scientific progress. This article investigates the extent to which the globalization of academic freedom has been the result of a global diffusion process in addition to national developments, such as modernization and democratization. Academic freedom spread as part of a wider liberal script after World War II. The empirical analysis shows, however, that the codification of academic freedom at the international and regional level has been slower compared with other parts of the liberal script. To the extent that academic freedom has emerged as a global norm, it has happened through decentralized diffusion processes driven by higher education institutions and civil society networks. Different views on meaning, scope and emphasis made international and regional institutions norm takers rather than norm shapers. They only started to systematically institutionalize academic freedom into the liberal script when networks of scholars and higher education institutions mobilized internationally amidst increasing contestations of their academic freedom since the turn of the millennium.
Can back exosuits simultaneously increase lifting endurance and reduce musculoskeletal disorder risk?
Authors: Rodzak K.M. , Slaughter P.R. , Wolf D.N. , Ice C.C. , Fine S.J. , Zelik K.E. 
Published: November 2024

Abstract
The objectives of this case series study were to test whether an elastic back exosuit could increase a wearer’s endurance when lifting heavy objects and to assess whether lifting more cancels out the exosuit’s risk reduction benefits. We found that 88% of participants increased their lifting repetitions while wearing an exosuit, with endurance increases ranging from 28 to 75%. We then used these empirical data with an ergonomic assessment model based on fatigue failure principles to estimate the effects on cumulative back damage (an indicator of low back disorder risk) when an exosuit is worn and more lifts are performed. Participants exhibited 27–93% lower cumulative back damage when wearing an exosuit. These results confirmed that wearing an exosuit increased participants’ lifting capacity without canceling out injury risk reduction benefits. Back exosuits may make it possible to simultaneously boost productivity and reduce musculoskeletal disorder risks, which is relevant to workers in civilian and defense sectors.
Magma Chamber Response to Ice Unloading: Applications to Volcanism in the West Antarctic Rift System
Authors: Coonin A. N. , Huber C. , Troch J. , Townsend M. , Scholz K. , Singer B. S. 
Published: November 2024

AbstractVolcanic activity has been shown to affect Earth's climate in a myriad of ways. One such example is that eruptions proximate to surface ice will promote ice melting. In turn, the crustal unloading associated with melting an ice sheet affects the internal dynamics of the underlying magma plumbing system. Geochronologic data from the Andes over the last two glacial cycles suggest that glaciation and volcanism may interact via a positive feedback loop. At present, accurate sea‐level predictions hinge on our ability to forecast the stability of the West Antarctic Ice Sheet, and thus require consideration of two‐way subglacial volcano‐deglaciation processes. The West Antarctic Ice Sheet is particularly vulnerable to collapse, yet its position atop an active volcanic rift is seldom considered. Ice unloading deepens the zone of melting and alters the crustal stress field, impacting conditions for dike initiation, propagation, and arrest. However, the consequences for internal magma chamber dynamics and long‐term eruption behavior remain elusive. Given that unloading‐triggered volcanism in West Antarctica may contribute to the uncertainty of ice loss projections, we adapt a previously published thermomechanical magma chamber model and simulate a shrinking ice load through a prescribed lithostatic pressure decrease. We investigate the impacts of varying unloading scenarios on magma volatile partitioning and eruptive trajectory. Considering the removal of km‐thick ice sheets, we demonstrate that the rate of unloading influences the cumulative mass erupted and consequently the heat released into the ice. These findings provide fundamental insights into the complex volcano‐ice interactions in West Antarctica and other subglacial volcanic settings.
Diamond Experiment In the MagnetOSphere (DEIMOS): A Collisionless Shocks and Solar Wind Mission Concept for the Lunar Gateway
Authors: Shonibare T. , Murphy K. R. , Pakhotin I. P. 
Published: November 2024

AbstractIn the scientific field of collisionless shocks, interplanetary space comprises a critical natural laboratory allowing the study of processes at spatial scales which are impossible to recreate in laboratories on Earth. Despite decades of research, key questions in the dynamics of collisionless shocks including energy transport and exchange remain unresolved due to instrumental limitations. With the return of humanity to the Moon and the upcoming construction of the Lunar Platform: Gateway (LOP‐G) space station, the possibility arises to study the pristine solar wind in unprecedented detail, with the space station potentially enabling significant power capacity and data rates which would be challenging to achieve on smaller unmanned spacecraft. The space station's location in a lunar halo orbit allows the study of the solar wind away from the contaminating influence of the terrestrial bow shock. Here we propose to utilize nitrogen‐vacancy (NV) diamond technology to combine magnetometer, temperature and plasma density measurements into a single instrument which can sample kHz‐range magnetic field with sensitivities on the order of <1e−5 nT, while also sounding the local plasma density and temperature. These capabilities will generate datasets which will contribute significantly to shock science, helping answer key outstanding questions in the field. Simultaneously, these observations will improve understanding of space weather dynamics, contribute to cross‐calibrating complementary missions, and probe the lunar exosphere. With the paucity of long‐term, high‐cadence, high‐sensitivity pristine solar wind datasets, the Diamond Experiment In the MagnetOSphere (DEIMOS) will fill a key need for the solar wind and collisionless shocks community.
Super‐Intense Geomagnetic Storm on 10–11 May 2024: Possible Mechanisms and Impacts
Authors: Tulasi Ram S. , Veenadhari B. , Dimri A. P. , Bulusu J. , Bagiya M. , Gurubaran S. , Parihar N. , Remya B. , Seemala G. , Singh Rajesh , Sripathi S. , Singh S. V. , Vichare G. 
Published: November 2024

AbstractOne of the most intense geomagnetic storms of recent times occurred on 10–11 May 2024. With a peak negative excursion of Sym‐H below −500 nT, this storm is the second largest of the space era. Solar wind energy transferred through radiation and mass coupling affected the entire Geospace. Our study revealed that the dayside magnetopause was compressed below the geostationary orbit (6.6 RE) for continuously ∼6 hr due to strong Solar Wind Dynamic Pressure (SWDP). Tremendous compression pushed the bow‐shock also to below the geostationary orbit for a few minutes. Magnetohydrodynamic models suggest that the magnetopause location could be as low as 3.3RE. We show that a unique combination of high SWDP (≥15 nPa) with an intense eastward interplanetary electric field (IEFY ≥ 2.5 mV/m) within a super‐dense Interplanetary Coronal Mass Ejection lasted for 409 min–is the key factor that led to the strong ring current at much closer to the Earth causing such an intense storm. Severe electrodynamic disturbances led to a strong positive ionospheric storm with more than 100% increase in dayside ionospheric Total Electron Content (TEC), affecting GPS positioning/navigation. Further, an HF radio blackout was found to occur in the 2–12 MHz frequency band due to strong D‐ and E‐region ionization resulting from a solar flare prior to this storm.