bluuebunny/crossref_metadata_2025_split huggingface dataset:
Simulation of the mechanical behaviour of coated particles using DEM‐BPM
Authors: Safdar Wasif , Rotter Sonja , Orth Maike , Heinrich Stefan , Düster Alexander 
Published: September 2023

AbstractIn previous years, research into the use of granular media as crash absorbers in a ship double hull has led to an increased interest in further optimisation to improve their energy absorption. One way is to add a coating layer on the outside surface of these particles. This work provides an introduction to the numerical modelling of coated particles to simulate their crushing behaviour. Depending upon the type of coating material, the compressive behaviour differs. Therefore, a sound methodology needs to be developed. For that purpose, the discrete element method in combination with the bonded particle method was utilised using the open‐source code MUSEN. The bonded particle method helps to simulate the crushing behaviour of coated particles. However, for this high‐fidelity model, the number of parameters needs to be reduced and afterwards optimised. A sensitivity analysis is performed for that objective followed by optimisation using particle swarm algorithm. The results illustrate a good approximation of the experimental force‐displacement curve by the optimised model on a uniaxial single particle compression test.
Gradient‐based determination of principal design influences on composite structures
Authors: Liedmann Jan , Barthold Franz‐Joseph , Gerzen Nikolai 
Published: September 2023

AbstractThis work deals with the computation of design sensitivities of elastic solid‐shell structures extended to anisotropic layered composite structures. Design sensitivities concerning fiber angles and layer thicknesses are derived and quantitatively determined in the context of the finite element method. The anisotropic analysis model is founded on a sophisticated solid‐shell formulation based on reduced integration and is extended to discretize the composite with only one element over the element thickness by means of multiple integration points. This can be understood as a special case of equivalent‐single‐layer theories. Examination of system response sensitivity matrices using methods from principal component analysis, such as singular value decomposition, is used to identify crucial design changes corresponding to major changes in the structural behavior of the composite. This procedure is termed as sensitivity based design exploration. Results are discussed by reference to simple academic examples.
Find the maximum thermal conductivity of graphene reinforced polymer composite: A molecular dynamics approach
Authors: Chen Shaohua , Xu Nuo , Gorbatikh Larissa , Seveno David 
Published: September 2023

AbstractThe ultrahigh in‐plane thermal conductivity makes the graphene nanoplatelet a promising reinforcement filler for improving the thermal conductivity of polymer materials. Up to now, the highest thermal conductivity enhancement has been achieved by aligning the nanoplatelets along the heat flux direction. In this work, extensive molecular dynamics simulations are carried out to understand the thermal conductivity enhancement capabilities of different architectures of the graphene nanoplatelets within the polyamide‐6 matrix. Surprisingly, we find that the orthogonally arranged graphene nanoplatelets offer even better thermal conductivity enhancement than the simply aligned graphene nanoplatelets. An in‐depth investigation shows that the orthogonal structure can achieve a balance between the global percolation and the alignment of graphene nanoplatelets. Specifically, such an orthogonal structure can take advantage of both thermal percolation and graphene's ultrahigh in‐plane thermal conductivity. Moreover, we have systematically investigated the effects of the size and number density of the nanoplatelets on the thermal conductivity enhancement capability of the orthogonal configuration. Finally, by proposing a validated analytical model, we have identified the pathways to maximize the thermal conductivity of the orthogonally arranged graphene nanoplatelets. The conclusion of this work points out the possible way to develop the graphene‐polymer composite system with exceedingly high thermal conductivity.Highlights
Different graphene configurations are constructed for polymer composite.
Chemical reactions at the edge of graphene nanoplatelets are considered.
High‐throughput molecular dynamics simulations are conducted to measure thermal conductivity.
Competition between graphene alignment and thermal percolation is identified.
A theoretical model is established for graphene‐polymer composite.
Life philosophy of Bin Kimura
Authors: Fukao Kenjiro 
Published: September 2023

AbstractBin Kimura, the most internationally renowned Japanese psychopathologist, developed a unique life‐theoretical position in his later years. The concept of “aida” or “betweenness,” which was in the social dimension in his earlier thought, came to be called “horizontal betweenness,” and the “vertical betweenness” in the vital dimension came to be emphasized. In relation to his time theory, the “intra festum,” which signifies the tendency to immerse oneself in the present, has come to be highlighted as a direct contact with life. He used many coupled concepts, such as “mizukara/onozukara” and “reality/actuality,” to contrast his life‐theoretical position with the scientific‐epistemological one. He was also heavily influenced by the ideas of Viktor von Weizsäcker, and superimposed his concept of “vertical betweenness” over Weizsäcker's concept of “ground relationship” by interpreting it as expressing the dependence of individual life (bios) on life in general (zoé). However, the strongest influences on his life theory were the ideas of Kitaro Nishida, the leading philosopher of the Kyoto School, with whom he had been familiar since his youth. In his last years, Kimura, under Nishida's influence, came to equate life in general with generalized death. Kimura's life philosophy might provide the foundation of psychotherapy by deepening subjective and empathetic understanding of psychiatric patients.
Crowdfunding platforms as conduits for ideological struggle and extremism: On the need for greater regulation and digital constitutionalism
Authors: Wade Matthew , Baker Stephanie A. , Walsh Michael J. 
Published: September 2023

AbstractCrowdfunding platforms remain understudied as conduits for ideological struggle. While other social media platforms may enable the expression of hateful and harmful ideas, crowdfunding can actively facilitate their enaction through financial support. In addressing such risks, crowdfunding platforms attempt to mitigate complicity but retain legitimacy. That is, ensuring their fundraising tools are not exploited for intolerant, violent or hate‐based purposes, yet simultaneously avoiding restrictive policies that undermine their legitimacy as ‘open’ platforms. Although social media platforms are routinely scrutinized for enabling misinformation, hateful rhetoric and extremism, crowdfunding has largely escaped critical inquiry, despite being repeatedly implicated in amplifying such threats. Drawing on the ‘Freedom Convoy’ movement as a case study, this article employs critical discourse analysis to trace how crowdfunding platforms reveal their underlying values in privileging either collective safety or personal liberty when hosting divisive causes. The radically different policy decisions adopted by crowdfunding platforms GoFundMe and GiveSendGo expose a concerning divide between ‘Big Tech’ and ‘Alt‐Tech’ platforms regarding what harms they are willing to risk, and the ideological rationales through which these determinations are made. There remain relatively few regulatory safeguards guiding such impactful strategic choices, leaving crowdfunding platforms susceptible to weaponization. With Alt‐Tech platforms aspiring to build an ‘alternative internet’, this paper highlights the urgent need to explore digital constitutionalism in the crowdfunding space, establishing firmer boundaries to better mitigate fundraising platforms becoming complicit in catastrophic harms.
Developing a national implementation strategy to accelerate uptake of evidence‐based family caregiver support in U.S. cancer centers
Authors: Odom J. Nicholas , Young Heather M. , Sterba Katherine , Sannes Timothy S. , Reinhard Susan , Nightingale Chandylen L. , Meier Diane , Gray Tamryn F. , Ferrell Betty , Fernandez Maria E. , Donovan Heidi , Curry Kayleigh , Currie Erin R. , Bryant Tara , Bakitas Marie A. , Applebaum Allison J. 
Published: September 2023

AbstractObjectiveCharacterize key factors and training needs of U.S. cancer centers in implementing family caregiver support services.MethodsSequential explanatory mixed methods design consisting of: (1) a national survey of clinicians and administrators from Commission‐on‐Cancer‐accredited cancer centers (N = 238) on factors and training needed for establishing new caregiver programs and (2) qualitative interviews with a subsample of survey respondents (N = 30) to elicit feedback on survey findings and the outline of an implementation strategy to facilitate implementation of evidence‐based family caregiver support (the Caregiver Support Accelerator). Survey data was tabulated using descriptive statistics and transcribed interviews were analyzed using thematic analysis.ResultsTop factors for developing new caregiver programs were that the program be: consistent with the cancer center's mission and strategic plan (87%), supported by clinic leadership (86.5%) and providers and staff (85.7%), and low cost or cost effective (84.9%). Top training needs were how to: train staff to implement programs (72.3%), obtain program materials (63.0%), and evaluate program outcomes (62.6%). Only 3.8% reported that no training was needed. Qualitative interviews yielded four main themes: (1) gaining leadership, clinician, and staff buy‐in and support is essential; (2) cost and clinician burden are major factors to program implementation; (3) training should help with adapting and marketing programs to local context and culture; and (4) the Accelerator strategy is comprehensive and would benefit from key organizational partnerships and policy standards.ConclusionFindings will be used to inform and refine the Accelerator implementation strategy to facilitate the adoption and growth of evidence‐based cancer caregiver support in U.S. cancer centers.
The variable domain from dynamin‐related protein 1 promotes liquid–liquid phase separation that enhances its interaction with cardiolipin‐containing membranes
Authors: Posey Ammon E. , Ross Kyle A. , Bagheri Mehran , Lanum Elizabeth N. , Khan Misha A. , Jennings Christine E. , Harwig Megan C. , Kennedy Nolan W. , Hilser Vincent J. , Harden James L. , Hill R. Blake 
Published: September 2023

AbstractDynamins are an essential superfamily of mechanoenzymes that remodel membranes and often contain a “variable domain” important for regulation. For the mitochondrial fission dynamin, dynamin‐related protein 1, a regulatory role for the variable domain (VD) is demonstrated by gain‐ and loss‐of‐function mutations, yet the basis for this is unclear. Here, the isolated VD is shown to be intrinsically disordered and undergo a cooperative transition in the stabilizing osmolyte trimethylamine N‐oxide. However, the osmolyte‐induced state is not folded and surprisingly appears as a condensed state. Other co‐solutes including known molecular crowder Ficoll PM 70, also induce a condensed state. Fluorescence recovery after photobleaching experiments reveal this state to be liquid‐like indicating the VD undergoes a liquid–liquid phase separation under crowding conditions. These crowding conditions also enhance binding to cardiolipin, a mitochondrial lipid, which appears to promote phase separation. Since dynamin‐related protein 1 is found assembled into discrete punctate structures on the mitochondrial surface, the inference from the present work is that these structures might arise from a condensed state involving the VD that may enable rapid tuning of mechanoenzyme assembly necessary for fission.
Atomistic molecular simulations of Aβ‐Zn conformational ensembles
Authors: Aduriz‐Arrizabalaga Julen , Lopez Xabier , De Sancho David 
Published: September 2023

AbstractThe amyloid‐forming Aβ peptide is able to interact with metal cations to form very stable complexes that influence fibril formation and contribute to the onset of Alzheimer's disease. Multiple structures of peptides derived from Aβ in complex with different metals have been resolved experimentally to provide an atomic‐level description of the metal‐protein interactions. However, Aβ is intrinsically disordered, and hence more amenable to an ensemble description. Molecular dynamics simulations can now reach the timescales needed to generate ensembles for these type of complexes. However, this requires accurate force fields both for the protein and the protein‐metal interactions. Here we use state‐of‐the‐art methods to generate force field parameters for the Zn(II) cations in a set of complexes formed by different Aβ variants and combine them with the Amber99SB*‐ILDN optimized force field. Upon comparison of NMR experiments with the simulation results, further optimized with a Bayesian/Maximum entropy approach, we provide an accurate description of the molecular ensembles for most Aβ‐metal complexes. We find that the resulting conformational ensembles are more heterogeneous than the NMR models deposited in the Protein Data Bank.
Tertiary structure assessment at CASP15
Authors: Simpkin Adam J. , Mesdaghi Shahram , Sánchez Rodríguez Filomeno , Elliott Luc , Murphy David L. , Kryshtafovych Andriy , Keegan Ronan M. , Rigden Daniel J. 
Published: September 2023

AbstractThe results of tertiary structure assessment at CASP15 are reported. For the first time, recognizing the outstanding performance of AlphaFold 2 (AF2) at CASP14, all single‐chain predictions were assessed together, irrespective of whether a template was available. At CASP15, there was no single stand‐out group, with most of the best‐scoring groups—led by PEZYFoldings, UM‐TBM, and Yang Server—employing AF2 in one way or another. Many top groups paid special attention to generating deep Multiple Sequence Alignments (MSAs) and testing variant MSAs, thereby allowing them to successfully address some of the hardest targets. Such difficult targets, as well as lacking templates, were typically proteins with few homologues. Local divergence between prediction and target correlated with localization at crystal lattice or chain interfaces, and with regions exhibiting high B‐factor factors in crystal structure targets, and should not necessarily be considered as representing error in the prediction. However, analysis of exposed and buried side chain accuracy showed room for improvement even in the latter. Nevertheless, a majority of groups produced high‐quality predictions for most targets, which are valuable for experimental structure determination, functional analysis, and many other tasks across biology. These include those applying methods similar to those used to generate major resources such as the AlphaFold Protein Structure Database and the ESM Metagenomic atlas: the confidence estimates of the former were also notably accurate.
Human factors analysis of a fatal gas explosion on June 13, 2021 in Shiyan City, China
Authors: Yang Ling , Chen Mengmeng , Fan Weisong 
Published: September 2023

AbstractHuman factors are considered the main cause of accidents involving pipeline explosionf. In order to identify the path of human‐induced explosion accidents, a gas pipeline explosion that occurred in Shiyan city of China is investigated thoroughly in this study. Applying the 24Model, the causes of the accident are classified into two levels: organizational and individual. The organizational level causes are further categorized into two elements, namely safety culture and safety management system. The individual level causes are further categorized into personal abilities and safety behaviors—both unsafe actions and unsafe conditions. The 24Model methodology further refines unsafe actions and unsafe conditions into subcategories for increased clarity. Based on the 24Model, it was determined that the Shinyan City incident was caused by gaps in personal abilities, which included insufficient safety knowledge, low safety awareness, and bad safety habits. Causes related to ability factors, safety management system, and safety culture were also identified. In addition, the relationship between the identified factors was developed according to the roles played by the accident causes, and the propagation path of the accident was established. This clarity helps to strengthen safety measures related to human factors.
The histidine kinases regulate allyl‐isothiocyanate sensitivity in Cochliobolus heterostrophus
Authors: Jia Wantong , Yu Huilin , Fan Jinyu , Zhang Jiyue , Pan Hongyu , Zhang Xianghui 
Published: September 2023

AbstractBACKGROUDTwo‐component histidine kinase (HK) phosphorelay signaling systems play important roles in differentiation, virulence, secondary metabolite production and response to environmental signals. Allyl isothiocyanate (A‐ITC) is a hydrolysis product of glucosinolates with excellent antifungal activity. Our previous study indicated that the mycelial growth of Cochliobolus heterostrophus was significantly hindered by A‐ITC. However, the function of HK in regulating A‐ITC sensitivity was not clear in C. heterostrophus, the causal agent of Southern corn leaf blight.RESULTSIn this study, the role of HKs was investigated in C. heterostrophus. Deletion of the HK coding gene ChNIK1 resulted in dramatically increased sensitivity of C. heterostrophus to A‐ITC. In addition, ΔChnik1 mutant exhibited significantly decreased conidiation and increased sensitivity to NaCl, KCl, tebuconazole and azoxystrobin, but deletion of the other five HK genes did not affect the A‐ITC sensitivity of C. heterostrophus. ChSLN1, ChNIK4, ChNIK8 and ChMAK2 are essential for conidiation and response to H2O2 and sodium dodecyl sulfate. However, deletion of NIKs had on effect on significant virulence.CONCLUSIONOur findings demonstrate that the HKs play different roles in A‐ITC sensitivity in C. heterostrophus. © 2023 Society of Chemical Industry.
Designing two mixed quick switching sampling plans for linear profiles
Authors: Rahimi Yeganeh Radman , Ayoubi Mona 
Published: September 2023

AbstractThis study compares two proposed mixed quick switching sampling (QSS) plans for linear profiles as the quality characteristic. For the QSS plans, we recommend a binomial attribute plan for normal inspection and then a variable sampling plan for tightened inspection based on capability index CpuA of linear profiles with one‐sided specifications. The difference between the two proposed QSS plans is in the tightened inspection. Tightened inspection of the first proposed plan is a single sampling using CpuA index, but tightened inspection of the second plan is a multiple dependent state repetitive (MDSR) plan based on CpuA index. The optimal parameters are obtained by nonlinear optimization. Simulation study for selecting parameters is conducted with various combinations of specified acceptable quality level (AQL), limited quality level (LQL), producer's risk, and consumer's risk. Simulation results confirm that the second proposed QSS plan which applies variable MDSR at tightened inspection performs better than another proposed plan. Hence, the approach of the second proposed plan is demonstrated in an illustrative example.
Illustrating land cover change associated with erosion management of the Little Blue River, Kansas, USA
Authors: Hanberry Brice B. , Hanberry Phillip 
Published: September 2023

AbstractErosion is a concern due to environmental degradation, loss of valuable cropland, increased sediment loads in aquatic systems, and reduced reservoir capacity. To manage erosion, riparian forest buffers and bendway weirs were installed in the Little Blue River, Kansas, during years 2002–2010. To illustrate land cover changes associated with management for upland and streambank erosion, indicated through terrestrial land gains, particularly of permanent tree cover relative to short‐lived crop cover, we digitized 1 m orthoimagery. For the pretreatment interval of 1991–2002, we digitized streambank edges to approximate change in river area. Due to river dynamics, for the 2002 and 2014 interval before and after treatment, we used land ownership parcels as fixed locations to assess changes in land area and land classes for 24 treated and 24 untreated parcels, each parcel group totaling 1575 ha. We appraised two extents of the unified streambank for both years and all land in parcels rather than isolating the river from the surrounding watershed. During 1991 to 2002, treated land parcels lost terrestrial land, whereas untreated land parcels gained land. During 2002–2014, treated land had greater river and crop cover, and less tree cover than untreated land. For the entire extent, with similar trends for the unified streambank extent, by 2014, treated parcels gained 27.3 ha of terrestrial land compared to 4.6 ha gained by untreated parcels. Gains occurred in tree cover and losses in river water and sediments cover. In treated parcels crop cover decreased, whereas in untreated parcels crop cover increased. Streamflows decreased over time, likely contributing to streambank stability. Despite lack of documented cost‐share agreements, in untreated parcels, landowners managed land by increasing tree cover to protect soil from erosion. All measurements were consistent with erosion followed by management for erosion through terrestrial land gains of tree cover.
Incidence of neonatal morbidity in small‐for‐gestational‐age twins based on singleton and twin charts
Authors: Wright D. , Wright A. , Rehal A. , Syngelaki A. , Kristensen S. E. , Petersen O. B. , Nicolaides K. H. 
Published: September 2023

AbstractObjectiveTo compare morbidity, as measured by length of stay in the neonatal intensive care unit (NICU), in twin and singleton gestations classified as small‐for‐gestational age (SGA) according to estimated fetal weight < 10th percentile on twin or singleton growth charts.MethodsNICU length of stay was compared in 1150 twins and 29 035 singletons that underwent ultrasound assessment between 35 + 0 and 36 + 6 weeks' gestation. Estimated fetal weight was obtained from measurements of head circumference, abdominal circumference and femur length using the Hadlock formula. Gestational age was derived from the first‐trimester crown–rump length measurement, using the larger of the two twins. Singletons and twins were compared in terms of NICU admission rate and length of stay according to classification as SGA by the Fetal Medicine Foundation singleton and twin reference distributions.ResultsThe overall proportions of twins and singletons admitted to NICU were similar (7.3% vs 7.4%), but twins tended to have longer lengths of stay in NICU (≥ 7 days: 2.4% vs 0.8%; relative risk (RR), 3.0 (95% CI, 1.6–4.4)). Using the singleton chart, a higher proportion of twins were classified as SGA compared with singletons (37.6% vs 7.0%). However, the proportion of SGA neonates entering NICU was similar (10.2% for twins and 10.1% for singletons) and the proportion of SGA neonates spending ≥ 7 days in NICU was substantially higher for twins compared with singletons (3.7% vs 1.4%; RR, 2.6 (95% CI, 1.4–4.7)).ConclusionsWhen singleton charts are used to define SGA in twins and in singletons, there is a greater degree of growth‐related neonatal morbidity amongst SGA twins compared with SGA singletons. Consequently, singleton charts do not inappropriately overdiagnose fetal growth restriction in twins and they should be used for monitoring fetal growth in both twins and singletons. © 2023 International Society of Ultrasound in Obstetrics and Gynecology.