bluuebunny/crossref_metadata_2025_split huggingface dataset:
Intramolecular Carboxyamidation of Alkyne‐Tethered O‐Acylhydroxamates through Formation of Fe(III)‐Nitrenoids
Authors: Su Siyuan , Zhang Yu , Liu Peng , Wink Donald J. , Lee Daesung 
Published: December 2023

AbstractWe developed intramolecular carboxyamidations of alkyne‐tethered O‐acylhydroxamates followed by either thermally induced spontaneous or 4‐(dimethylamino)pyridine‐catalyzed O→O or O→N acyl group migration. Under iron‐catalyzed conditions, the carboxyamidation products were generated in high yield from both Z‐alkene and arene‐tethered substrates. DFT calculations indicate that the iron‐catalyzed carboxyamidation proceeds via a stepwise mechanism involving iron‐imidyl radical cyclization followed by intramolecular acyloxy transfer from the iron center to the alkenyl radical center to furnish the cis‐carboxyamidation product. Upon treatment with 4‐(dimethylamino)pyridine, the Z‐alkene‐tethered carboxyamidation products underwent selective O→O acyl migration to generate 2‐acyloxy‐5‐acyl pyrroles. Thermal O→N acyl migration occurs during carboxyamidation if the Z‐alkene linker contains an alkyl or an aryl substituent at the β‐position of the carbonyl group. On the other hand, the arene linker‐containing compounds selectively undergo O→N acyl migration to generate N‐acyl‐3‐acylisoindolinones, and the corresponding O→O acyl migration forming isoindole derivatives was not observed.
Accountability in healthcare in the Netherlands: A scoping review
Authors: Van Kerkvoorden Dennis R. , Ettema Roelof G. A. , Minkman Mirella M. N. 
Published: December 2023

AbstractFor better serving people's complex needs the subsequent movement to person‐centred integrated care, requires inter‐organisational cooperation and service provision by domain‐overarching networks and alliances. In the development to these networks, it is relevant to explore which accountability approaches are appropriate for local inter‐organisational healthcare governance. Therefore, in a scoping review we studied the current state of knowledge and practice of accountability in healthcare in the Netherlands. We found that two of the included 41 studies show characteristics of accountability towards healthcare with characteristics of integration care components, such as integration of services with accompanying accountability arrangements and development of networked accountability. The first studies are found in the literature which report on accountability in integrated care. With this we add to the international discussion about accountability as an aspect of integrated care governance, by providing insight into the current state of art of accountability in Dutch healthcare.
Fatty Acids Composition of the Sacroiliac Joint in Axial Spondyloarthritis: Analysis Using 3.0 T Chemical Shift‐Encoded MRI
Authors: Chen Min , Cheng Chuanli , Peng Hao , Qi Yulong , Liu Xin , Cheng Guanxun , Zou Chao 
Published: December 2023

BackgroundAxial spondyloarthritis (axSpA) is a group of inflammatory diseases that may lead to ankylosis of the sacroiliac joint and spine. Fat lesion in the sacroiliac joint is an important feature in diagnosis and disease progression of axSpA. However, whether there is alteration of fatty acids (FAs) composition has not been investigated using MRI.PurposeTo investigate bone marrow FA composition of the sacroiliac joint in patients with axSpA compared to controls.Study TypeProspective.SubjectsEighty five participants (mean age, 32.3 ± 6.1 years): 48 axSpA (25 male, 23 female) and 37 non‐SpA controls (18 male, 19 female).Field Strength/Sequence3.0 T/Two multiple gradient‐echo chemical shift‐encoded (CSE) MRI which differed only in echo times (TEs) were scanned consecutively.AssessmentAxial multi‐echo CSE MRI was performed in the sacroiliac joints in vivo. Regions of interest (ROIs) were manually placed on subchondral bone with and without fat lesion in axSpA patients, and on subchondral bone without fat lesion in controls. FA composition was computed within the ROIs using a nonlinear least square method from literature.Statistical TestsIntergroup comparisons were performed using t tests.ResultsIn axSpA, male patients had significantly higher monounsaturated FA compared to controls in areas with fat lesion in the sacrum (+12%) and in the ilium (+9%), and in areas without fat lesion in the sacrum (+10%). Significantly lower polyunsaturated FAs were found in areas with fat lesion in the sacrum (−10%) and ilium (−11%), and lower saturated FAs were found in areas without fat lesion in the sacrum (−6%). In female, patients with axSpA had significantly higher saturated FAs in areas with fat lesion in the ilium (+7%) in comparison to controls.Data ConclusionFA composition of the sacroiliac joint alters in patients with axSpA, and it can be detected using CSE MRI based analysis.
Predicting the bandgap and efficiency of perovskite solar cells using machine learning methods
Authors: Khan Asad , Kandel Jeevan , Tayara Hilal , Chong Kil To 
Published: December 2023

AbstractRapid and accurate prediction of bandgaps and efficiency of perovskite solar cells is a crucial challenge for various solar cell applications. Existing theoretical and experimental methods often accurately measure these parameters; however, these methods are costly and time‐consuming. Machine learning‐based approaches offer a promising and computationally efficient method to address this problem. In this study, we trained different machine learning(ML) models using previously reported experimental data. Among the different ML models, the CatBoostRegressor performed better for both bandgap and efficiency approximations. We evaluated the proposed model using k‐fold cross‐validation and investigated the relative importance of input features using Shapley Additive Explanations (SHAP). SHAP interprets valuable insights into feature contributions of the prediction of the proposed model. Furthermore, we validated the performance of the proposed model using an independent dataset, demonstrating its robustness and generalizability beyond the training data. Our findings show that machine learning‐based approaches, with the aid of SHAP, can provide a promising and computationally efficient method for the accurate and rapid prediction of perovskite solar cell properties. The proposed model is expected to facilitate the discovery of new perovskite materials and is freely available at GitHub (https://github.com/AsadKhanJBNU/perovskite_bandgap_and_efficiency.git) for the perovskite community.
Extension of a shell‐like RVE model to represent transverse shear effects in textile reinforced composites
Authors: Khattabi Omar , Landgraf Ralf , Ihlemann Jörn 
Published: December 2023

AbstractTextile reinforcements have long been used in shell‐like components like tires, belts, hoses and, in particular, air spring bellows. These bellows consist of a certain number of cords embedded in soft rubber, resulting in high membrane stiffness to absorb tensile forces and low resistance to changes in curvature. The embedded cords are produced by twisting multifilament yarns. Modelling and simulation of bellows is a challenging task. Thereby, the complex internal geometry, large deformations as well as the strongly anisotropic and nonlinear material behavior have to be taken into account in a computationally efficient manner. One approach is the application of multiscale analyses in conjunction with representative volume elements (RVE). Within this study, a through‐thickness RVE based on in‐plane periodic microstructures is applied. The local behavior of the cords is represented by an anisotropic constitutive model that regards directions and mechanical properties of filaments, which result from previous cord twisting simulations. In this contribution, an extension of the classical periodic boundary conditions (PBC) is presented, which considers curvature, pressure load, and, in particular, transverse shear. The RVE is used to simulate the stresses and strains in cord‐rubber composites under realistic load conditions. Moreover, it is employed for homogenizing the mechanical behavior and, thus, for developing a suitable constitutive model for shells.
Online Processing Shows Advantages of Bimodal Listening‐While‐Reading for Vocabulary Learning: An Eye‐Tracking Study
Authors: Valentini Alessandra , Pye Rachel E. , Houston‐Price Carmel , Ricketts Jessie , Kirkby Julie A. 
Published: December 2023

AbstractChildren can learn words incidentally from stories. This kind of learning is enhanced when stories are presented both aurally and in written format, compared to just a written presentation. However, we do not know why this bimodal presentation is beneficial. This study explores two possible explanations: whether the bimodal advantage manifests online during story exposure, or later, at word retrieval. We collected eye‐movement data from 34 8‐to 9‐year‐old children exposed to two stories, one presented in written format (reading condition), and the second presented aurally and written at the same time (bimodal condition). Each story included six unfamiliar words (non‐words) that were repeated three times, as well as definitions and clues to their meaning. Following exposure, the learning of the new words' meanings was assessed. Results showed that, during story presentation, children spent less time fixating the new words in the bimodal condition, compared to the reading condition, indicating that the bimodal advantage occurs online. Learning was greater in the bimodal condition than the reading condition, which may reflect either an online bimodal advantage during story presentation or an advantage at retrieval. The results also suggest that the bimodal condition was more conducive to learning than the reading condition when children looked at the new words for a shorter amount of time. This is in line with an online advantage of the bimodal condition, as it suggests that less effort is required to learn words in this condition. These results support educational strategies that routinely present new vocabulary in two modalities simultaneously.
A gender perspective of climate change perceptions and the intention to migrate in Copán
Authors: Hernández‐Albújar Yolanda , Sánchez‐Carrasco Alfonso 
Published: December 2023

AbstractIn this intervention, we present preliminary results from field work conducted in six municipalities of Honduras as part of a research project that explores climate change perceptions and the intention to migrate, with a gender perspective. The main goal of the research is to understand to which extent the ways in which people perceive the effects of climate change upon their daily life may urge some more than others to actively start the process of international migration. The project is a mixed method study combining questionnaires and focus groups. In this briefing, we concentrate on the analysis of the focus groups to explain the descriptive results of some of the variables.
Na2CeF6: A Highly Laser Damage‐Tolerant Double Perovskite Type Ce(IV) Fluoride Exhibiting Strong Second‐Harmonic Generation Effect
Authors: Tang Ru‐Ling , Xu Wei , Lian Xin , Wei Yue‐Qi , Lv Yi‐Lei , Liu Wenlong , Guo Sheng‐Ping 
Published: December 2023

AbstractPerovskite structure compounds are significant candidates for designing new optical function materials due to their structural variability. Here, an inorganic tetravalent cerium fluoride, Na2CeF6, is derived from the perovskite structure through double‐site cation co‐substitution. Na2CeF6 crystalizes in the non‐centrosymmetric space group . Edge‐sharing connected NaF9 and CeF9 polyhedra build the whole 3D structure of Na2CeF6. Importantly, it represents the first Ce(IV) fluoride nonlinear optical (NLO) crystal and can produce a strong and phase‐matchable second‐harmonic generation (SHG) effect of ≈2.1 times that of KH2PO4 (KDP), making it the strongest among non‐lone pair electron metal fluoride system. Further, it exhibits a high laser‐induced damage threshold (LIDT) of 74.65–76.25 MW cm−2, which is over 20 times that of AgGaS2. It also exhibits a wide transparent region (0.5−14.3 µm). This work provides a facile route for exploring high‐performance halide NLO materials.
Transition Metal Phosphides: The Rising Star of Lithium–Sulfur Battery Cathode Host
Authors: Liu Luzhi , Yin Xiangshao , Li Wenjiao , Wang Ding , Duan Jianguo , Wang Xianshu , Zhang Yiyong , Peng Dong , Zhang Yingjie 
Published: December 2023

AbstractLithium–sulfur batteries (LSBs) with ultra‐high energy density (2600 W h kg−1) and readily available raw materials are emerging as a potential alternative device with low cost for lithium‐ion batteries. However, the insulation of sulfur and the unavoidable shuttle effect leads to slow reaction kinetics of LSBs, which in turn cause various roadblocks including poor rate capability, inferior cycling stability, and low coulombic efficiency. The most effective way to solve the issues mentioned above is to rationally design and control the synthesis of the cathode host for LSBs. Transition metal phosphides (TMPs) with good electrical conductivity and dual adsorption‐conversion capabilities for polysulfide (PS) are regarded as promising cathode hosts for new‐generation LSBs. In this review, the main obstacles to commercializing the LSBs and the development processes of their cathode host are first elaborated. Then, the sulfur fixation principles, and synthesis methods of the TMPs are briefly summarized and the recent progress of TMPs in LSBs is reviewed in detail. Finally, a perspective on the future research directions of LSBs is provided.
Cuttlefish‐Inspired Photo‐Responsive Antibacterial Microparticles with Natural Melanin Nanoparticles Spray
Authors: Song Chuanhui , Wu Xiangyi , Wang Yu , Wang Jinglin , Zhao Yuanjin 
Published: December 2023

AbstractTopical antibiotics can be utilized to treat periodontitis, while their delivery stratagems with controlled release and long‐lasting bactericidal inhibition are yet challenging. Herein, inspired by the defensive behavior of cuttlefish expelling ink, this work develops innovative thermal‐responsive melanin‐integrated porous microparticles (MPs) through microfluidic synthesis for periodontitis treatment. These MPs are composed of melanin nanoparticles (NPs), poly(N‐isopropylacrylamide) (PNIPAM), and agarose. Benefiting from the excellent biocompatibility and large surface area ratio of MPs, they can deliver abundant melanin NPs. Under near‐infrared irradiation, the melanin NPs can convert photo energy into thermal energy. This leads to agarose melting and subsequent shrinkage of the microspheres induced by pNIPAM, thereby facilitating the release of melanin NPs. In addition, the released melanin NPs can serve as a highly effective photothermal agent, displaying potent antibacterial activity against porphyromonas gingivalis and possessing natural anti‐inflammatory properties. These unique characteristics are further demonstrated through in vivo experiments, showing the antibacterial effects in the treatment of infected wounds and periodontitis. Therefore, the catfish‐inspired photo‐responsive antibacterial MPs with controlled‐release drug delivery hold tremendous potential in clinical antibacterial applications.
Offsets in tide-gauge reference levels detected by satellite altimetry: ten case studies
Authors: Ray R. D. , Widlansky M. J. , Genz A. S. , Thompson P. R. 
Published: December 2023

AbstractComparing measurements of absolute sea level by satellite altimetry and relative sea level by a tide gauge can reveal errors in either measurement system. Combining the measurements can determine vertical land motion (VLM) at the tide gauge. We here discuss ten case studies in which a tide gauge has likely experienced a small ($$\le 10$$

≤
10

cm), discontinuous offset in the vertical, suggesting inadvertent loss of reference-level stability. Proper interpretation of offsets is helped if independent VLM measurements from nearby geodetic stations are available. In two cases, earthquake-induced VLM cannot be ruled out, although it appears unlikely. Offsets as small as 1–2 cm can be detected when both altimeter and tide gauge successfully observe the same ocean signal. This is most likely to occur for tide gauges located on small, open-ocean islands. Tide gauges near large land masses are typically more challenging owing to inadequacies of satellite altimetry near land and to differences between coastal and open-ocean sea levels. The case studies highlight the utility of satellite altimetry for tide-gauge quality control.
Does SANAD II help with gender-specific problems in epilepsy treatment?—English Version
Authors: Tettenborn B. , Baumgartner C. , Schmitz B. , Steinhoff B. J. 
Published: December 2023

AbstractGender-specific differences in the treatment of epilepsy are a continuous challenge in the choice of treatment. Earlier studies on antiseizure medication often only or predominantly included male patients. The establishment of pregnancy registries including girls and women of childbearing age with epilepsy in Europe and North America have given many more insights into the side effects as well the teratogenic effects of antiseizure medications (ASM) on their children. The SANAD II study provided essential new data on the clinical effectiveness as well as the cost-effectiveness of the most frequently used antiseizure medications in focal, generalized and unclassifiable epilepsies. These results were taken into account for the new revised guidelines of the German, Austrian and Swiss neurological societies on epilepsy treatment in adults; however, several aspects regarding the gender-specific choice of antiseizure medication remain controversial, especially the use of valproate in generalized epilepsy.
Comparing the views of mental health professionals and volunteers on volunteering in mental health care in the UK
Authors: Pinto da Costa Mariana , Aviron Paula 
Published: December 2023

AbstractVoluntary schemes can serve to address reduced social functioning experienced by people with mental illness. However, the views of the key stakeholders in such provision remains under-researched.This article aimed to compare the views of mental health professionals and volunteers on volunteering in mental health care in the UK through a qualitative study analysing the data of six focus groups with n = 27 participants using thematic analysis.Six overarching themes were identified: (i) An act of friendship but not a true friendship, (ii) Addressing a social agenda, (iii) Structure and responsibility of volunteering schemes, (iv) Challenges of volunteering (v) Role of technology in volunteering and (vi) Impact on wider mental health care. Whilst various commonalities were identified, nuances in participants views suggest stakeholders may place differing levels of importance on the volunteering framework.Volunteering as a social intervention for people with mental illness was deemed to hold significant importance in wider mental health care. The divergent views expressed between stakeholders can be attributed to their own direct experiences with patients in practice and suggests there is a need for flexibility in the design and delivery of voluntary programmes.
Adherence of patients with schizophrenia to hypothyroidism treatment
Authors: Gur Shay , Weizman Shira , Hermesh Haggai , Matalon Andre , Meyerovitch Joseph , Krivoy Amir 
Published: December 2023

Abstract
Adherence to prescription medications is critical for both remission from schizophrenia and control of physical comorbidities. While schizophrenia with comorbid hypothyroidism is common, there is little research on adherence to hypothyroidism treatment in this population. The current study used a retrospective, matched case-control design. The cohort included 1,252 patients diagnosed with schizophrenia according to ICD-10 and 3,756 controls matched for gender, age, socioeconomic status and ethnicity without diagnosis of schizophrenia. All data were retrieved from the electronic medical database of a large health maintenance organization. Retrieved data included demographics, thyroid functionality test results and prescribed medications. Measures of adherence to therapy were used for analyses as were data from follow-ups of patients with hypothyroidism. A diagnosis of hypothyroidism was found in 299 patients, 115 of whom were also diagnosed with schizophrenia. The 184 without schizophrenia constituted the control group. No statistically significant differences were found between the two groups regarding prescriptions for L-thyroxin and TSH levels and number of TSH tests. Adherence of patients with schizophrenia to hypothyroidism treatment was found to be as good as that of individuals without a schizophrenia diagnosis.
Isoprene Production and Its Driving Factors in the Northwest Pacific Ocean
Authors: Wang Jian , Zhang Hong‐Hai , Booge Dennis , Zhang Yue‐Qi , Li Xiao‐Jun , Wu Ying‐Cui , Zhang Jia‐Wei , Chen Zhao‐Hui 
Published: December 2023

AbstractMarine isoprene plays a crucial role in the formation of secondary organic aerosol within the remote marine boundary layer. Due to scarce field measurements of oceanic isoprene and limited laboratory‐based studies of isoprene production, assessing the importance of marine isoprene on atmospheric chemistry and climate is challenging. Calculating in‐field isoprene production rates is a crucial step to predict marine isoprene concentrations and the subsequent emissions to the atmosphere. The distribution, sources, and dominant environmental factors of isoprene were determined in the Northwest Pacific Ocean in 2019. The nutrient enrichment in the Kuroshio Oyashio Extension (KOE) surface seawater, driven by the upwelling and atmospheric deposition, promoted the growth of phytoplankton and elevated the isoprene concentration. This was confirmed by observed responses of isoprene to nutrients and aerosol dust additions in a ship‐based incubation experiment, where the isoprene concentrations increased by 70% (t = 4.417, p < 0.001) and 35% (t = 2.387, p < 0.05), respectively. Biogenic isoprene production rates in the deck incubation experiments were positively related to chlorophyll a, temperature, and solar radiation, with an average production of 7.33 ± 4.27 pmol L−1 day−1. Photochemical degradation of dissolved organic matter was likely an abiotic source of isoprene, contributing to approximately 14% of the total production. Driven by high isoprene production and extreme physical disturbance, the KOE showed very high emissions of isoprene of 46.0 ± 13.0 nmol m−2 day−1, which led to a significant influence on the oxidative capacity of the local atmosphere.
Correlation between coronavirus conspiracism and antisemitism: a cross-sectional study in the United Kingdom
Authors: Allington Daniel , Hirsh David , Katz Louise 
Published: December 2023

AbstractThis article presents the findings of a survey of UK-resident adults ($$n$$
n
= 1790) carried out in December 2021 and designed to test for a relationship between antisemitism and coronavirus conspiracism. Antisemitism was measured using the Generalised Antisemitism (GeAs) scale, and coronavirus conspiracism was measured using a version of the Flexible Inventory of Conspiracy Suspicions (FICS). Hypotheses and methodology were pre-registered, and all data and code are open. There was found to be a positive correlation between coronavirus conspiracy suspicions and Generalised Antisemitism, robust to demographic controls. This correlation appears to be entirely accounted for by older forms of antisemitism: antisemitism as expressed in relation to Israel and its supporters was found to be associated with coronavirus conspiracism only because both of these variables were associated with antisemitism as expressed in relation to Jews identified as Jews. Statistical analysis suggests that these findings may be generalised from the sample to the UK adult population with some confidence, although no data were collected in other national contexts, such that generalisation to other national contexts must remain speculative.