bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chiral Truxene‐Based Self‐Assembled Cages: Triple Interlocking and Supramolecular Chirogenesis
Authors: Séjourné Simon , Labrunie Antoine , Dalinot Clément , Canevet David , Guechaichia Romain , Bou Zeid Jennifer , Benchohra Amina , Cauchy Thomas , Brosseau Arnaud , Allain Magali , Chamignon Cécile , Viger‐Gravel Jasmine , Pintacuda Guido , Carré Vincent , Aubriet Frédéric , Vanthuyne Nicolas , Sallé Marc , Goeb Sébastien 
Published: January 2024

AbstractIncorporating chiral elements in host–guest systems currently attracts much attention because of the major impact such structures may have in a wide range of applications, from pharmaceuticals to materials science and beyond. Moreover, the development of multi‐responsive and ‐functional systems is highly desirable since they offer numerous benefits. In this context, we describe herein the construction of a metal‐driven self‐assembled cage that associates a chiral truxene‐based ligand and a bis‐ruthenium complex. The maximum separation between both facing chiral units in the assembly is fixed by the intermetallic distance within the lateral bis‐ruthenium complex (8.4 Å). The resulting chiral cavity was shown to encapsulate polyaromatic guest molecules, but also to afford a chiral triply interlocked [2]catenane structure. The formation of the latter occurs at high concentration, while its disassembly could be achieved by the addition of a planar achiral molecule. Interestingly the planar achiral molecule exhibits induced circular dichroism signature when trapped within the chiral cavity, thus demonstrating the ability of the cage to induce supramolecular chirogenesis.
Tailoring Na+ Solvation Environment and Electrode‐Electrolyte Interphases with Sn(OTf)2 Additive in Non‐flammable Phosphate Electrolytes towards Safe and Efficient Na‐S Batteries
Authors: Wang Lifeng , Ren Naiqing , Jiang Wei , Yang Hai , Ye Shufen , Jiang Yang , Ali Ghulam , Song Li , Wu Xiaojun , Rui Xianhong , Yao Yu , Yu Yan 
Published: January 2024

AbstractRoom‐temperature sodium‐sulfur (RT Na‐S) batteries are promising for low‐cost and large‐scale energy storage applications. However, these batteries are plagued by safety concerns due to the highly flammable nature of conventional electrolytes. Although non‐flammable electrolytes eliminate the risk of fire, they often result in compromised battery performance due to poor compatibility with sodium metal anode and sulfur cathode. Herein, we develop an additive of tin trifluoromethanesulfonate (Sn(OTf)2) in non‐flammable phosphate electrolytes to improve the cycling stability of RT Na‐S batteries via modulating the Na+ solvation environment and interface chemistry. The additive reduces the Na+ desolvation energy and enhances the electrolyte stability. Moreover, it facilitates the construction of Na‐Sn alloy‐based anode solid electrolyte interphase (SEI) and cathode electrolyte interphase (CEI). These interphases help to suppress the growth of Na dendrites and the dissolution/shuttling of sodium polysulfides (NaPSs), resulting in improved reversible capacity. Specifically, the Na‐S battery with the designed electrolyte boosts the capacity from 322 to 906 mAh g−1 at 0.5 A g−1. This study provides valuable insights for the development of safe and high‐performance electrolytes in RT Na‐S batteries.
Electrospun polymeric nanofibers for dental applications
Authors: Kalluri Lohitha , Duan Yuanyuan , Janorkar Amol V. 
Published: January 2024

AbstractElectrospinning is an economical, efficient, and versatile process for the preparation of continuous nanofibers with desired patterns, tailored fiber diameters, and orientations. Since its invention, electrospinning has been utilized to prepare nanofibers from several natural polymers and synthetic polymers for use as scaffolds in tissue engineering, regeneration, and biomedical applications. Furthermore, complex scaffolds were prepared by electrospinning complex polymer solutions formulated by blending natural and synthetic organic polymers with bioceramics and other inorganic molecules. Lately, coaxial electrospinning has emerged as a promising technology in the preparation of drug‐loaded biodegradable core‐shell structured micro/nanofibers for sustained drug delivery applications. This paper will discuss the basic mechanism of electrospinning, parameters governing the electrospinning process, various materials investigated for use in the electrospinning process, and its recent advances.
Elucidating the Role of Dimensionality on the Electronic Structure of the Van der Waals Antiferromagnet NiPS3
Authors: DiScala Michael F. , Staros Daniel , de la Torre Alberto , Lopez Annette , Wong Deniz , Schulz Christian , Barkowiak Maciej , Bisogni Valentina , Pelliciari Jonathan , Rubenstein Brenda , Plumb Kemp W. 
Published: January 2024

AbstractThe sustained interest in investigating magnetism in the 2D limit of insulating antiferromagnets is driven by the possibilities of discovering, or engineering, novel magnetic phases through layer stacking. However, due to the difficulty of directly measuring magnetic interactions in 2D antiferromagnets, it is not yet understood how intralayer magnetic interactions in insulating, strongly correlated, materials can be modified through layer proximity. Herein, the impact of reduced dimensionality in the model van der Waals antiferromagnet NiPS3 is explored by measuring electronic excitations in exfoliated samples using Resonant Inelastic X‐ray Scattering (RIXS). The resulting spectra shows systematic broadening of NiS6 multiplet excitations with decreasing layer count from bulk down to three atomic layers (3L). It is shown that these trends originate from a decrease in transition metal‐ligand and ligand–ligand hopping integrals, and by charge‐transfer energy evolving from Δ = 0.83 eV in the bulk to 0.37 eV in 3L NiPS3. Relevant intralayer magnetic exchange integrals computed from the electronic parameters exhibit a decrease in the average interaction strength with thickness. This study underscores the influence of interlayer electronic interactions on intralayer ones in insulating magnets, indicating that magnetic Hamiltonians in few‐layer insulating magnets can greatly deviate from their bulk counterparts.
Multiple independent origins of duplicated mitochondrial control regions indicate an apomorphy in the Thysanoptera (Insecta)
Authors: Meng Xianghao , Wang Dong , Pang Qiang , Wang Heng , Zhou Hongxu 
Published: January 2024

AbstractThe mitochondrial genome (mitogenome) of thrips is characterized by the presence of control region (CR) duplication. However, the evolution pattern of duplicated CRs in thrips is still unclear. In this study, the multiple independent origins of duplicated CR indicated that the CR duplication was not an ancestral state for Thysanoptera. The macroevolutionary pattern suggested that the earliest CR duplication event occurred in the middle Cretaceous (94.85 Ma) coincided with rearrangement events forming the ancestors of Aeolothripidae, but much later than that forming the ancestors of the suborder Terebrantia. The mitogenome with duplicated CRs showed a higher rate of gene rearrangement. The sequence similarity of the CR copies and divergence time were negatively correlated, indicating age‐related deterioration of mitochondrial function. No significant differences were found in the mitochondrial DNA, the P123 and P4FD between the single and multiple‐CR charactered mitogenomes, which suggested that the duplicated CRs may not affect the replication process in thrip mitogenome. The mitogenomes with duplicated CRs (mean: 0.0088 subs/s/my) show a significantly increased evolutionary rate than that with a single one (mean: 0.0058 subs/s/my). However, it seems that this higher evolutionary rate did not have adaptive mechanisms in Terebrantia. We speculated that the duplicated CRs may cause a more intense production of energy by mitochondria, and an accelerated mutation and substitution rate is expected in such mitogenomes. Our study provided new insights into the presence of CR duplications and their evolution in the mitogenomes of thrips.
Integrating legacy survey data into GIS‐based analysis: The rediscovery of the archaeological landscapes in Grevena (Western Macedonia, Greece)
Authors: Apostolou Giannis , Venieri Konstantina , Mayoral Alfredo , Dimaki Sofia , Garcia‐Molsosa Arnau , Georgiadis Mercourios , Orengo Hector A. 
Published: January 2024

AbstractSurface archaeological survey has been widely established as the principal method for the regional study of Mediterranean diachronic landscapes. Before the introduction of GPS and digital, GIS‐based recordings in the late 1990s, survey projects employed analogue recording strategies (e.g. personal notebooks, printed forms and cartographic materials) resulting in low‐precision spatial datasets. These archives, termed here as legacy survey data, can today be visualized and analysed using computational tools. The aim of the present work is to exemplify how legacy data can be reused and reproduced to explore unknown aspects of past survey projects. It showcases a multi‐source, GIS‐structured workflow to manage and re‐evaluate data from the region of Grevena, north‐western Greece, where a largely unpublished all‐period extensive survey titled the Grevena Project has pinpointed a rich, yet unavailable to the archaeological community cultural record. The publications lacked critical evaluation of the survey results and significance, such as accurate site locations, size and chronology as well as a description of the field collection strategies used. To recover and combine these data into a single geodataset, a three‐step workflow was created, including the systematic recording of collected artefacts, the deployment of archival and remote‐sensing resources (e.g. georeferenced cartographic and photographic materials and satellite imagery) and the development of a new extensive survey in selected areas for validation purposes. Results indicated heterogeneity in the techniques employed by the Grevena Project for site recognition. They also brought an important assemblage of Palaeolithic finds unrecorded before. Furthermore, large‐scale geomorphological analysis using geomorphometric approaches demonstrated an irregularly high density of sites in elevated areas, which is considered a surveying bias. Remote sensing sources including archival aerial photographs highlighted regional landscape changes (e.g. in forest coverage) revealing architectural remains unmapped before. Finally, the new survey around Ayios Georgios showed the discovery of several new sites, emphasizing a case study of much more complex dynamics than originally considered during the Grevena Project.
New tests for trend in time censored recurrent event data
Authors: Lindqvist Bo Henry , Kvaløy Jan Terje 
Published: January 2024

AbstractWe consider testing for trend in recurrent event data. More precisely, for such data we consider testing of the null hypothesis of data coming from a renewal process. The new tests are essentially obtained by considering appropriate integrated versions of classical trend tests. Moreover, adaptive versions of earlier considered tests versus non‐monotonic alternatives, like bathtub trend, are suggested. A simulation study shows that the new tests have favorable properties and sometimes outperform classical tests. Examples with real data are also considered.
Green chemistry and the bioeconomy: a necessary nexus
Authors: Ciriminna Rosaria , Angellotti Giuseppe , Luque Rafael , Pagliaro Mario 
Published: January 2024

AbstractEconomically viable green chemistry processes are the technology enablers of the bioeconomy. Access to an economically viable green chemistry production route, however, is not per se sufficient for successful bioproduction. The cases of synthetic amorphous silica, pectin, polysaccharide nanofibers, pelargonic acid, hydrogen peroxide electrochemically sourced from water, and that of valued bioproducts (orange oil, limonene, and dietary fiber) from fresh orange peel were selected to substantiate these assumptions. The study concludes by identifying three conditions for competitive bioproduction methods, along with learning and educational outcomes considered relevant for green chemistry and bioeconomy educators.
Factors affecting secondary teacher wellbeing in England: Self‐perceptions, policy and politics
Authors: McQuade Laura 
Published: January 2024

AbstractAfter the challenges of the Covid‐19 pandemic, the NEU (2021) report states that one in three teachers plan to leave the profession in the next 5 years. As previous studies published by the DfE focusing on workload have not affected the wastage rate of the profession, there is something deeper at work which needs to be explored. A critical theory, mixed‐methods approach is used to gain a breadth and depth of understanding of the attitudes of 55 respondents to a survey and 17 participants in semi‐structured interviews. All data collection was carried out in secondary schools in Lincolnshire, where teacher pay is good in comparison with the county average of workforce pay. These methods aim to test the assumption that concerns about workload and pay are causing teachers’ discontent. The findings reveal that teacher attitudes towards their working lives are complex owing to individuals trying to internalise the values of both traditional and new professionalisms. Owing to this, teachers can appear contradictory in their demands and tolerance of the demands of the profession and themselves. The characteristics of neoliberal management including transactional leadership, competition and ambivalence to processes in favour of outcomes, do not match traditional professional values of dedication, expertise and working for the greater good.
A Bayesian hierarchical approach to account for evidence and uncertainty in the modeling of infectious diseases: An application to COVID‐19
Authors: Rehms Raphael , Ellenbach Nicole , Rehfuess Eva , Burns Jacob , Mansmann Ulrich , Hoffmann Sabine 
Published: January 2024

AbstractInfectious disease models can serve as critical tools to predict the development of cases and associated healthcare demand and to determine the set of nonpharmaceutical interventions (NPIs) that is most effective in slowing the spread of an infectious agent. Current approaches to estimate NPI effects typically focus on relatively short time periods and either on the number of reported cases, deaths, intensive care occupancy, or hospital occupancy as a single indicator of disease transmission. In this work, we propose a Bayesian hierarchical model that integrates multiple outcomes and complementary sources of information in the estimation of the true and unknown number of infections while accounting for time‐varying underreporting and weekday‐specific delays in reported cases and deaths, allowing us to estimate the number of infections on a daily basis rather than having to smooth the data. To address dynamic changes occurring over long periods of time, we account for the spread of new variants, seasonality, and time‐varying differences in host susceptibility. We implement a Markov chain Monte Carlo algorithm to conduct Bayesian inference and illustrate the proposed approach with data on COVID‐19 from 20 European countries. The approach shows good performance on simulated data and produces posterior predictions that show a good fit to reported cases, deaths, hospital, and intensive care occupancy.
Sacubitril/valsartan promotes white adipose tissue browning in rats with metabolic syndrome through activation of mTORC1
Authors: Nikolic Marina , Jeremic Nevena , Lazarevic Nevena , Stojanovic Aleksandra , Milojevic Samanovic Andjela , Novakovic Jovana , Zivkovic Vladimir , Nikolic Milos , Nedeljkovic Nikola , Mitrovic Slobodanka , Jakovljevic Vladimir 
Published: January 2024

AbstractIn addition to their usual use in the treatment of cardiovascular disease, weak evidence is available for the potential of combined use of neprilysin inhibitor (sacubitril) and AT1 receptor antagonist (valsartan) to promote browning of white adipose tissue (WAT) in rats with metabolic syndrome (MetS). This study involved 32 male Wistar albino rats divided into four groups: CTRL—healthy control rats; ENT—healthy rats treated with sacubitril/valsartan; MS—rats with MetS; MS + ENT—rats with MetS treated with sacubitril/valsartan. After finishing the experimental protocol, different WAT depots were isolated for further analysis of molecular pathways. Molecular docking and molecular dynamics studies were used for in silico assessment of the binding affinity of sacubitril and valsartan towards subunits of mechanistic target of rapamycin complex 1 (mTORC1). Sacubitril/valsartan treatment markedly diminished morphological changes in adipose tissue, resulting in smaller lipid size and multilocular lipid droplet structure in WAT. We showed significantly higher protein expression of uncoupling protein‐1 (UCP‐1) and mTORC1 in WAT of MS + ENT rats, correlating with increased relative gene expression of browning‐related markers in tissue of rats treated with sacubitril/valsartan compared with MS group of rats. In silico analysis showed that sacubitrilat and valsartan exhibited the highest binding affinity against mTOR and mLST8, forming stable complexes with these mTORC1 subunits. The observed results confirmed strong potential of combined sacubitril/valsartan treatment to increase browning markers expression in different WAT depots in MetS condition and to form permanent complexes with mTOR and mLST8 subunits over the time.
Exploring the factors affecting the occurrence of postoperative MVI and the prognosis of hepatocellular carcinoma patients treated with hepatectomy: A multicenter retrospective study
Authors: Yang Jilin , Qian Junlin , Wu Zhao , Zhang Wenjian , Yin Zexin , Shen Wei , He Kun , He Yongzhu , Liu Liping 
Published: January 2024

AbstractObjectiveTo investigate the influencing factors affecting the occurrence of microvascular invasion (MVI) and the prognosis of hepatocellular carcinoma (HCC) patients treated with hepatectomy, and to explore how MVI affects prognosis in subgroups with different prognostic factors.MethodsClinical data of a total of 1633 patients treated surgically for HCC in four treatment centers were included, including 754 patients with MVI. By using the Cox risk regression model and the Mann–Whitney U‐test, the common independent influences on prognosis and MVI were made clear. The incidence of MVI in various subgroups was then examined, as well as the relationship between MVI in various subgroups and prognosis.ResultsThe Cox risk regression model showed that MVI, Child–Pugh classification, alpha‐fetoprotein (AFP), hepatocirrhosis, tumor diameter, lymphocyte‐to‐monocyte ratio (LMR), and, Barcelona clinic liver cancer (BCLC) grade were independent determinants of overall survival (OS), and MVI, AFP, hepatocirrhosis, tumor diameter, and LMR were influencing determinants for disease‐free survival (DFS). The receiver operating characteristic (ROC) curve showed that MVI was most closely associated with patient prognosis compared to other prognostic factors. AFP, hepatocirrhosis, tumor diameter, and LMR were discovered to be common influences on the prognosis of patients with HCC and MVI when combined with the results of the intergroup comparison of MVI. After grouping, it was showed that patients with hepatocirrhosis, positive AFP (AFP ≥ 20 ng/mL), tumor diameter >50 mm, and LMR ≤3.4 had a significantly higher incidence of MVI than patients in other subgroups, and all four subgroups of MVI‐positive patients had higher rates of early recurrence and mortality (p < 0.05).ConclusionsMVI was found to be substantially linked with four subgroups of HCC patients with hepatocirrhosis, positive AFP, tumor diameter >50 mm, and LMR ≤3.4, and the prognosis of MVI‐positive patients in all four subgroups tended to be worse.
Dough‐making performance of composite whole‐grain sorghum and whole‐grain wheat flours as assessed by a micro‐doughLAB assay
Authors: Dovi Koya A. P. , Solah Vicky A. , Taylor John R. N. , Johnson Stuart K. 
Published: January 2024

AbstractBackground and ObjectiveOwing to its climate‐smart agronomic characteristics and health‐promoting attributes, there is great interest in using sorghum in bread and other dough‐based food product making. The objectives here were to develop a small‐scale (4 g) Micro‐doughLAB instrument‐based assay to assess the dough‐making performance of whole‐grain sorghum flours in sorghum‐whole grain wheat composites and to assess grain/flour factors affecting sorghum dough‐making performance.FindingsThe optimal Micro‐doughLAB assay conditions for 50:50 ratio sorghum:wheat composites were 64% water absorption (14% flour basis), 30°C mixing temperature, 120 rpm mixing speed, and an 87 mNm target peak torque (much lower than wheat flour). The assay showed excellent precision, well within the AACC DoughLAB method specification. Data from 23 white normal sorghum lines revealed significant (p < .05) differences in dough peak torque, development time, stability, and softening. Peak torque was highly significantly correlated (p < .001) with flour damaged starch.ConclusionsThis assay has revealed that although sorghum lines differ in dough‐making quality, none approach the quality of bread wheat. Further, damaged starch plays a predominant role in sorghum dough‐making performance.Significance and NoveltyBecause of its small scale, this assay is particularly useful for the assessment of the dough‐making flour quality of new sorghum lines.
Ovarian leiomyoma accompanied by a neglected abdominal wall leiomyoma: A case report and literature review
Authors: Li Jing , Sui Mingxing , Sun Xiaodan 
Published: January 2024

Key Clinical MessageOvarian leiomyoma and abdominal wall leiomyoma are both rare clinical entities. Here, we report the rare case with ovarian leiomyoma accompanied by a neglected abdominal wall leiomyoma to raise the awareness of clinicians of ovarian leiomyoma and multiple occurrences of benign leiomyoma for appropriate diagnosis.