bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multimodal Single‐Cell Sequencing of B Cells in Primary Sjögren's Syndrome
Authors: Arvidsson Gustav , Czarnewski Paulo , Johansson Alina , Raine Amanda , Imgenberg‐Kreuz Juliana , Nordlund Jessica , Nordmark Gunnel , Syvänen Ann‐Christine 
Published: August 2023

ObjectiveB cells are important in the pathogenesis of primary Sjögren's syndrome (pSS). Patients positive for Sjögren's syndrome antigen A/Sjögren syndrome antigen B (SSA/SSB) autoantibodies are more prone to systemic disease manifestations and adverse outcomes. We aimed to determine the role of B cell composition, gene expression, and B cell receptor usage in pSS subgroups stratified for SSA/SSB antibodies.MethodsOver 230,000 B cells were isolated from peripheral blood of patients with pSS (n = 6 SSA−, n = 8 SSA+ single positive and n = 10 SSA/SSB+ double positive) and four healthy controls and processed for single‐cell RNA sequencing (scRNA‐seq) and single‐cell variable, diversity, and joining (VDJ) gene sequencing (scVDJ‐seq).ResultsWe show that SSA/SSB+ patients present the highest and lowest proportion of naïve and memory B cells, respectively, and the highest up‐regulation of interferon‐induced genes across all B cell subtypes. Differential usage of IGHV showed that IGHV1‐69 and IGHV4‐30‐4 were more often used in all pSS subgroups compared with controls. Memory B cells from SSA/SSB+ patients displayed a higher proportion of cells with unmutated VDJ transcripts compared with other pSS patient groups and controls, indicating altered somatic hypermutation processes. Comparison with previous studies revealed heterogeneous clonotype pools, with little overlap in CDR3 sequences. Joint analysis using scRNA‐seq and scVDJ‐seq data allowed unsupervised stratification of patients with pSS and identified novel parameters that correlated to disease manifestations and antibody status.ConclusionWe describe heterogeneity and molecular characteristics in B cells from patients with pSS, providing clues to intrinsic differences in B cells that affect the phenotype and outcome and allowing stratification of patients with pSS at improved resolution.
Chinese anatomy educators' perceptions of blended learning in anatomy education: A national survey in the post‐COVID‐19 era
Authors: Cheng Xin , Xu Yiru , Tang Hao , Chan Unman , Li Yun‐Qing , Yang Xuesong 
Published: August 2023

AbstractBlended learning, which combines face‐to‐face lectures with online learning, has emerged as a suitable teaching approach during the COVID‐19 pandemic. This study used a national survey of anatomy educators in Mainland China to evaluate the changes in the implementation of blended learning in anatomical pedagogy. A total of 297 responses were collected from medical schools across all provinces. Respondents included 167 males and 130 females, with an average age of 44.94 (±8.28) and average of 17.72 (±9.62) years of professional experience. The survey showed adoption of online teaching and assessment by Chinese anatomy educators increased by 32.7% and 46.8%, respectively, compared to pre‐pandemic levels. Perceptions of blended learning outcomes varied, with 32.3% and 37% educators considering it superior and inferior to traditional teaching, respectively. Faculty training programs related to blended learning increased significantly, fostering a collaborative learning environment; however, challenges remained in achieving satisfactory online assessment outcomes. Anatomy educators' attitudes reflected a strong preference for classroom learning (4.941 ± 0.856) and recognition of the importance of relevant technology (4.483 ± 0.954), whereas online learning received lower acceptance (4.078 ± 0.734). Female anatomy teachers demonstrated effective time management in online teaching. Meanwhile, educators with over 15 years of experience encountered difficulties with relevant technology, consistent with negative attitudes toward blended learning. Overall, this survey highlights the persistent challenges in implementing blended learning in anatomy education and provides insights for enhancing the pedagogical model in the post‐COVID‐19 era.
Effect of Synthetic Methodology on the Physicochemical Attributes and Electrocatalytic Activity of NiAl‐LDHs for the Oxygen Evolution Reaction
Authors: Hanif Aamir , Khan M. Yusuf , Ehsan M. Ali , Helal Aasif , Abdul Aziz M. , Khan Abuzar 
Published: August 2023

AbstractLayered double hydroxides (LDHs) are promising materials for oxygen evolution reactions (OERs), a key component of water splitting to produce hydrogen and oxygen via water electrolysis. However, the performance of LDHs can be limited by their low surface area and poor accessibility of active sites. In this work, we synthesized highly exfoliated 2D NiAl‐LDHs by aqueous miscible solvent treatment method (AMOST) and compared its electrocatalytic efficiency with its analogue synthesised via slow urea hydrolysis. We demonstrate that the exfoliated 2D LDHs prepared by AMOST method have a higher surface area and more active sites than the crystalline LDHs obtained through urea hydrolysis, resulting in a superior OER activity and efficiency. The exfoliated 2D LDHs required a lower overpotential of 280 mV to reach a current density of 50 mA cm−2 and it also outperformed IrO2, a benchmark OER catalyst, in terms of overpotential and stability. We demonstrate that the physicochemical properties of nanosheets derived from NIAl‐LDH‐based materials are strongly influenced by the synthetic methodology, which affects the exfoliation degree, surface area and active site density. These factors are crucial for improving the OER catalytic performance of these materials, as shown by our results.
Evaluation of Asymmetric Flow Rates for Better Performance Vanadium Redox Flow Battery
Authors: Fetyan Abdulmonem , Bamgbopa Musbaudeen O. , Andisetiawan Anugrah , Alhammadi Ayoob , Susantyoko Rahmat A. 
Published: August 2023

AbstractElectrolyte imbalance caused by water and ion crossover is one of the main factors affecting the capacity of vanadium redox flow battery system over cycling. Ion crossover and the associated water transfer towards the positive half‐cell is mainly caused by the transfer of the vanadium ions, its bounded water and the water driven by osmosis. The different viscosity of the vanadium (III) ions in the negative half‐cell builds inconsistent pressure profiles at both half‐cells during charge‐discharge cycling and therefore magnifies ions and water transfer tendency. To mitigate the effect of electrolyte imbalance, herein we report an experimental study on the effect of using asymmetric flow rates in the negative and positive half‐cells. Over different current densities of 50, 100, and 150 mA cm−2, the use of one magnitude flow factor lower in the negative half‐cell and one magnitude flow factor higher in the positive half‐cell is superior to the symmetric flow rates on reducing electrolyte imbalance and subsequently, improving the capacity retention. At 100 mA cm−2, a gain of 5 % in discharge capacity coupled with energy efficiency improvement of around 3 % is achieved using a cell with asymmetric flow rates compared to a cell with the symmetric flow rates after 50 cycles. Low magnitude of flow rate asymmetry can sufficiently compensate for the half‐cells pressures imbalance, higher increment in flow rate asymmetry showed that positive‐to‐negative crossover become more favourable.
Evaluating two iterations of a paired stimulus preference assessment
Authors: MacNaul Hannah , Nguyen Anh , Wilson Shannon , Cividini‐Motta Catia , Mandel Natalie 
Published: August 2023

AbstractThe paired stimulus preference assessment (PSPA) is commonly used in both research and practice. However, two iterations have been described: a single‐presentation arrangement in which each tested stimulus is paired with one another once and a double‐presentation arrangement in which each tested stimulus is paired twice with counterbalanced placement. Each arrangement may have different advantages; however, no direct comparison exists. Thus, the purpose of the current study was to conduct both PSPA iterations to determine whether there are differences in the results obtained and which iteration was most efficient regarding time to administer. Seven participants were included, and results demonstrated high degrees of correspondence across preference assessment formats. The average time to administer the single‐presentation PSPA (M =6.6 min) was almost half the time to administer a double‐presentation PSPA (M =12.9 min), and no significant differences were observed for problem behavior, side biases, or latency to stimulus selection.
Personalising monitoring for chemotherapy patients through predicting deterioration in renal and hepatic function
Authors: Chambers Pinkie , Watson Matthew , Bridgewater John , Forster Martin D. , Roylance Rebecca , Burgoyne Rebecca , Masento Sebastian , Steventon Luke , Harmsworth King James , Duncan Nick , al Moubayed Noura 
Published: August 2023

AbstractBackgroundIn those receiving chemotherapy, renal and hepatic dysfunction can increase the risk of toxicity and should therefore be monitored. We aimed to develop a machine learning model to identify those patients that need closer monitoring, enabling a safer and more efficient service.MethodsWe used retrospective data from a large academic hospital, for patients treated with chemotherapy for breast cancer, colorectal cancer and diffuse‐large B‐cell lymphoma, to train and validate a Multi‐Layer Perceptrons (MLP) model to predict the outcomes of unacceptable rises in bilirubin or creatinine. To assess the performance of the model, validation was performed using patient data from a separate, independent hospital using the same variables. Using this dataset, we evaluated the sensitivity and specificity of the model.Results1214 patients in total were identified. The training set had almost perfect sensitivity and specificity of >0.95; the area under the curve (AUC) was 0.99 (95% CI 0.98–1.00) for creatinine and 0.97 (95% CI: 0.95–0.99) for bilirubin. The validation set had good sensitivity (creatinine: 0.60, 95% CI: 0.55–0.64, bilirubin: 0.54, 95% CI: 0.52–0.56), and specificity (creatinine 0.98, 95% CI: 0.96–0.99, bilirubin 0.90, 95% CI: 0.87–0.94) and area under the curve (creatinine: 0.76, 95% CI: 0.70, 0.82, bilirubin 0.72, 95% CI: 0.68–0.76).ConclusionsWe have demonstrated that a MLP model can be used to reduce the number of blood tests required for some patients at low risk of organ dysfunction, whilst improving safety for others at high risk.
Molecular Docking‐Based Identification of Potential Natural Neuroprotective Molecules for Parkinson's Disease
Authors: Bhadauriya Poonam , Varshney Vibhav , Goyal Ahsas 
Published: August 2023

AbstractBackground: Parkinson's disease (PD) is a common progressive neurodegenerative and the prevailing treatments are ineffective in the early stages of the disease. Therefore, other strategies must be devised to halt the steady decrease of dopaminergic neurons in the brain. In Parkinson's disease, a dysregulated ACE/Ang II/AT1R axis in the brain causes free radical damage, apoptosis, and neuronal destruction. Current PD treatments only alleviate symptoms and do not reverse the degradation mechanism of dopaminergic neurons. As a result, it is critical to discover alternate, dependable medicines for the treatment of Parkinson's disease. Method: In the present study, homology modelling of MAS receptor, in silico docking and molecular dynamic studies (MDS) were employed to determine the efficacy of flavonoids as MASR activators. Result: The flavonoids Pterosupin and Amentoflavone exhibited best binding and therefore, the stability of these complexes were evaluated with MDS studies. The Pterosupin‐MASR complex demonstrated better stability, stronger interactions and minimal fluctuation than the Amentoflavone‐MASR complex. Conclusion: The data from the present study indicated that the flavonoid Pterosupin possesses better binding, favourable pharmacokinetic properties and stability. However, subsequent in vitro and in vivo assessments are necessary to validate its efficacy.
Construction of [NbO]6−x‐xS Structure to Change Charge Density and Regulate Spontaneous Polarization to Achieve Efficient Pyro‐Photo‐Electric Water Splitting System of NaNbO3
Authors: Li Tianhao , Ruan Mengnan , Guo Zhengang , Wang Chengyi , Liu Zhifeng 
Published: August 2023

AbstractPyroelectric materials in the field of photoelectrochemical (PEC) water splitting still face the problems of difficult low spontaneous polarization intensity and excessive carrier recombination. Based on the above problems, we altered the interaction between S−Nb−S in the [NbO]6−x‐xS structure, and the constructed [NbO]6−x‐xS structure achieved the regulation of charge density change and spontaneous polarization. The results show that under the stimulation of light and temperature fluctuations, the current density of the NS‐4 photoanode is as high as 0.574 mA/cm2 at 1.23 VRHE, which is about 1.59 times higher than the pure NaNbO3 current density value, and the NS −4 photoanode achieves IPCE value of 16.08 %. The first‐principles density‐functional theory calculations (DFT) reveal the principle of the [NbO]6−x‐xS structure for the suppression function of the carrier recombination and the improvement function of the pyroelectric effect. The analysis shows that the S‐doping leads to the weakening of S−Nb−S interactions in the [NbO]6−x‐xS structure, which improves the pyroelectric effect and suppresses the photo/pyro‐generated carrier recombination, and effectively enhances the performance of the pyro‐photo‐electric synergistic water splitting system. This work promotes the development of pyroelectric materials in the field of photoelectrochemical water splitting.
Thick Active‐Layer Organic Solar Cells†
Authors: Liu Zesheng , Li Tengfei , Lin Yuze 
Published: August 2023

Comprehensive SummaryOrganic solar cells (OSCs) present a promising renewable energy technology due to their cost‐effectiveness, adaptability, and lightweight nature. The advent of non‐fullerene acceptors has further boosted their significance, allowing for power conversion efficiencies surpassing 19% even with an active layer thickness of about 100 nm. However, in order to achieve large scale production, it is necessary to fabricate OSCs with thicker active layers exceeding 300 nm that are compatible with large‐area printing techniques. Nevertheless, OSCs with thick active layers have inferior performance compared to those with thin active layers. To expedite the transition of OSCs from laboratory to industrial high‐throughput manufacturing, considerable efforts have been made to comprehend the performance limitations of thick active‐layer OSCs, develop novel photoactive materials that are high‐performance and tolerant towards the thickness of the active layer, and optimize the morphology of the photoactive layer and device structure. This review aims to provide a comprehensive summary of the mechanisms that lead to efficiency loss in thick active‐layer OSCs, the representative works on molecular design, and the optimization strategies for high‐performance thick active‐layer OSCs, and the remaining challenges that must be addressed.
Translational practice of fluorescence in situ hybridisation to identify neuroblastic tumours with TERT rearrangements
Authors: Yu Yongbo , Zhang Meng , Yao Xingfeng , Guan Xiaoxing , Jia Chao , Chu Ping , Zhang Ruqian , Yang Yeran , Jin Yaqiong , Wang Huanmin , Ni Xin , He Lejian , Guo Yongli 
Published: August 2023

AbstractRecently, telomerase reverse transcriptase (TERT) gene rearrangements have been identified in neuroblastoma (NB), the typical pathological type of neuroblastic tumours (NTs); however, the prevalence of TERT rearrangements in other types of NT remains unknown. This study aimed to develop a practical method for detecting TERT defects and to evaluate the clinical relevance of TERT rearrangements as a biomarker for NT prognosis. A TERT break‐apart probe for fluorescence in situ hybridisation (FISH) was designed, optimised, and applied to assess the genomic status of TERT in Chinese children with NTs at the Beijing Children's Hospital from 2016 to 2019. Clinical, histological, and genetic characteristics of TERT‐rearranged NTs were further addressed. Genomic TERT rearrangements could be effectively detected by FISH and were mutually exclusive with MYCN amplification. TERT rearrangements were identified in 6.0% (38/633) of NTs overall, but 12.4% (31/250) in high‐risk patients. TERT rearrangements identified a subtype of aggressive NTs with the characteristics of Stage 3/4, high‐risk category, over 18 months old, and presenting all histological subtypes of NB and ganglioneuroblastoma nodular. Moreover, TERT rearrangements were significantly associated with elevated TERT expression levels and decreased survival chances. Multivariable analysis confirmed that it was an independent prognostic marker for NTs. FISH is an easily applicable method for evaluating TERT defects, which define a subgroup of NTs with unfavourable prognosis. TERT rearrangements would contribute to characterising NT molecular signatures in clinical practice.
Diaschisis in the human brain reveals specificity of cerebrocerebellar connections
Authors: Guell Xavier , Schmahmann Jeremy D. 
Published: August 2023

AbstractAnatomical studies in animals and imaging studies in humans show that cerebral sensorimotor areas map onto corresponding cerebellar sensorimotor areas and that cerebral association areas map onto cerebellar posterior lobe regions designated as the representation of the association (cognitive and limbic) cerebellum. We report a patient with unilateral left hemispheric status epilepticus, whose brain MRI revealed diffuse unihemispheric cerebral cortical FLAIR and diffusion signal hyperintensity but spared primary motor, somatosensory, visual, and to lesser extent auditory cerebral cortices. Crossed cerebellar diaschisis (dysfunction at a site remote from, but connected to, the location of the primary lesion) showed signal hyperintensity in the right cerebellar posterior lobe and lobule IX, with sparing of the anterior lobe, and lobule VIII. This unique topographic pattern of involvement and sparing of cerebral and cerebellar cortical areas matches the anatomical and functional connectivity specialization in the cerebrocerebellar circuit. This first demonstration of within‐hemispheric specificity in the areas affected and spared by cerebrocerebellar diaschisis provides further confirmation in the human brain for topographic organization of connections between the cerebral hemispheres and the cerebellum.
A Detailed Insight into the Effects of Morphologies of Cerium Oxide on Fenton‐like Reactions for Different Applications
Authors: Ding Meijuan , Jia Dexin , Yang Min , Yu Yan , Lin Guochang , Zhang Xuelin 
Published: August 2023

AbstractAs an exceptional Fenton‐like reagent, cerium oxide (CeO2) finds applications in biomedical science and organic pollutants treatment. The Fenton‐like reaction catalyzed by CeO2 typically encompasses two distinct processes: one resembling the classical Fenton reaction, wherein cerium (Ce3+) triggers the decomposition of hydrogen peroxide (H2O2) to yield reactive oxygen species (ROS), and the other involves the complexation of H2O2 on the Ce3+ surface, leading to the formation of peroxides. However, the influence of diverse CeO2 morphologies on these two reaction pathways has not been comprehensively explored. In this study, CeO2 exhibiting three typical morphologies, rods, cubes, and spheres, were prepared. The generation of ROS and peroxides was evaluated using the 3,3,5,5‐tetramethylbenzidine (TMB) oxidation reaction and the reduction current of H2O2, respectively. Moreover, the impacts of pH variations and CeO2/H2O2 concentrations on the production and conversion of these two reaction products were investigated. To corroborate the distinctions between the resultant products and their applicability, apoptosis assays and acid orange 7 (AO7) degradation analyses were performed. Notably, CeO2 rods exhibited the highest proportion of Ce3+, predominantly engaging in complexation with H2O2 to foster peroxide formation, thereby facilitating the robust degradation of AO7. However, the generated peroxides appeared to occupy Ce3+ sites, thereby impeding the H2O2 decomposition process. Conversely, Ce3+ species on the surface of CeO2 cubes were primarily involved in H2O2 decomposition, leading to heightened ROS production, and thus showcasing substantial potential for damaging A549 tumor cells. It is worth noting that the ability of these Ce3+ species to form peroxides through complexation with H2O2 was comparatively reduced. In summation, this study sheds light on the intricate interplay between distinct CeO2 morphologies and their divergent impacts on Fenton‐like reactions. These findings expand our comprehension of the influences on its reactivity of CeO2 morphologies and open new insights for applications in diverse domains, from organic dye degradation to tumor therapy.
Chemical Tailoring Assisted non‐TADF to TADF Switching in Carbazole‐Benzophenone Emitter – An In‐silico Investigation
Authors: Nair Aparna G. , Das Arathi , Chathoth Nayana Edavan , Pratim Sarmah Manash , Anjukandi Padmesh 
Published: August 2023

AbstractOrganic light‐emitting diodes (OLEDs) have become one of the most popular lighting technologies since they offer several advantages over conventional devices. In carbazole‐benzophenone (CzBP) OLED devices, the polymeric form of the compound is previously reported to be Thermally Activated Delayed Fluorescence (TADF)‐active (ΔEST ≈0.12 eV), while the monomer (CzBP) (ΔEST≈0.39 eV) does not. The present study examines the effect of chemical tailoring on the optical and photophysical properties of CzBP using DFT and TDDFT methods. The introduction of a single −NO2 group or di‐substitution (−NO2, −COOH or −CN) in the selected LUMO region of the reference CzBP monomer significantly reduces ΔEST≈0.01 eV, projecting these systems as potential TADF‐active emitters. Furthermore, the chemical modification of CzBP‐LUMO alters the two‐step TADF mechanism (T1→T2→S1) in CzBP (ES₁>ET2>ET₁) to the Direct Singlet Harvesting (T1→S1) mechanism (ET2>ES₁>ET₁), which has recently been identified in the fourth‐generation OLED materials.
Bromine Adsorption and Thermal Stability on Rh(111): A Combined XPS, LEED and DFT Study
Authors: Freiberger Eva Marie , Steffen Julien , Waleska‐Wellnhofer Natalie J. , Harrer Anton , Hemauer Felix , Schwaab Valentin , Görling Andreas , Steinrück Hans‐Peter , Papp Christian 
Published: August 2023

AbstractThis study addresses a fundamental question in surface science: the adsorption of halogens on metal surfaces. Using synchrotron radiation‐based high‐resolution X‐ray photoelectron spectroscopy (XPS), temperature‐programmed XPS, low‐energy electron diffraction (LEED) and density functional theory (DFT) calculations, we investigated the adsorption and thermal stability of bromine on Rh(111) in detail. The adsorption of elemental bromine on Rh(111) at 170 K was followed in situ by XPS in the Br 3d region, revealing two individual, coverage‐dependent species, which we assign to fcc hollow‐ and bridge‐bound atomic bromine. In addition, we find a significant shift in binding energy upon increasing coverage due to adsorbate‐adsorbate interactions. Subsequent heating shows a high thermal stability of bromine on Rh(111) up to above 1000 K, indicating strong covalent bonding. To complement the XPS data, LEED was used to study the long‐range order of bromine on Rh(111): we observe a (√3×√3)R30° structure for low coverages (≤0.33 ML) and a star‐shaped compression structure for higher coverages (0.33–0.43 ML). Combining LEED and DFT calculations, we were able to visualize bromine adsorption on Rh(111) in real space for varying coverages.