bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation of a benziodazole-type iodine(III) compound and its application as a nitrating reagent for synthesis of furazans via a copper-catalyzed cascade process
Authors: Yang Zhifang , Xu Jun , Sun Yuli , Li Xuemin , Jia Bohan , Du Yunfei 
Published: July 2024

AbstractThe existing hypervalent I(III) reagents bearing ONO2 group are limited in types and their applications primarily focused on the nitrooxylation reactions featuring a fully-exo fashion. Herein, a benziodazole-type O2NO-I(III) compound was prepared and its reaction with β-monosubstituted enamines in the presence of CuI could trigger a radical nitration/cyclization/dehydration cascade to provide a series of less explored but biologically interesting furazan heterocycles. Mechanistically, the benziodazole-type O2NO-I(III) compound acts as a nitrating reagent and incorporates its NO moiety into the final furazan product in a fully-endo model, a process of which was proposed to involve nitration, cyclization and dehydration.
Iridium-catalysed synthesis of C,N,N-cyclic azomethine imines enables entry to unexplored nitrogen-rich 3D chemical space
Authors: Almehmadi Yaseen A. , McGeehan Jack , Guzman Nandini J. , Christensen Kirsten E. , Yamazaki Ken , Dixon Darren J. 
Published: July 2024

AbstractThree-dimensional nitrogen-rich bridged ring systems are of great interest in drug discovery owing to their distinctive physicochemical and structural properties. However, synthetic approaches towards N–N-bond-containing bridged heterocycles are often inefficient and require tedious synthetic strategies. Here we delineate an iridium-catalysed reductive approach to such architectures from C,N,N-cyclic hydrazide substrates using IrCl(CO)[P(OPh)3]2 and 1,1,3,3-tetramethyldisiloxane (TMDS), which provided efficient access to the unstabilized and highly reactive C,N,N-cyclic azomethine imine dipoles. These species were stable and isolable in their dimeric form, but, upon dissociation in solution, reacted with a broad range of dipolarophiles in [3 + 2] cycloaddition reactions with high yields and good diastereoselectivities, enabling the direct synthesis of nitrogen-rich sp3-hybridized pyrazoline polycyclic ring systems. Density functional theory calculations were performed to elucidate the origin of the diastereoselectivity of the cycloaddition reaction, and principal moment of inertia (PMI) analysis was conducted to enable visualization of the topological information of the dipolar cycloadducts.
Evolution at Spike protein position 519 in SARS-CoV-2 facilitated adaptation to humans
Authors: Cereghino C. , Michalak K. , DiGiuseppe S. , Guerra J. , Yu D. , Faraji A. , Sharp A. K. , Brown A. M. , Kang L. , Weger-Lucarelli J. , Michalak P. 
Published: July 2024

AbstractAs the COVID-19 pandemic enters its fourth year, the pursuit of identifying a progenitor virus to SARS-CoV-2 and understanding the mechanism of its emergence persists, albeit against the backdrop of intensified efforts to monitor the ongoing evolution of the virus and the influx of new mutations. Surprisingly, few residues hypothesized to be essential for SARS-CoV-2 emergence and adaptation to humans have been validated experimentally, despite the importance that these mutations could contribute to the development of effective antivirals. To remedy this, we searched for genomic regions in the SARS-CoV-2 genome that show evidence of past selection around residues unique to SARS-CoV-2 compared with closely related coronaviruses. In doing so, we identified a residue at position 519 in Spike within the receptor binding domain that holds a static histidine in human-derived SARS-CoV-2 sequences but an asparagine in SARS-related coronaviruses from bats and pangolins. In experimental validation, the SARS-CoV-2 Spike protein mutant carrying the putatively ancestral H519N substitution showed reduced replication in human lung cells, suggesting that the histidine residue contributes to viral fitness in the human host. Structural analyses revealed a potential role of Spike residue 519 in mediating conformational transitions necessary for Spike prior to binding with ACE2. Pseudotyped viruses bearing the putatively ancestral N519 also demonstrated significantly reduced infectivity in cells expressing the human ACE2 receptor compared to H519. ELISA data corroborated that H519 enhances Spike binding affinity to the human ACE2 receptor compared to the putatively ancestral N519. Collectively, these findings suggest that the evolutionary transition at position 519 of the Spike protein played a critical role in SARS-CoV-2 emergence and adaptation to the human host. Additionally, this residue presents as a potential drug target for designing small molecule inhibitors tailored to this site.
KRIT1 in vascular biology and beyond
Authors: Glading Angela J. 
Published: July 2024

Abstract
KRIT1 is a 75 kDa scaffolding protein which regulates endothelial cell phenotype by limiting the response to inflammatory stimuli and maintaining a quiescent and stable endothelial barrier. Loss-of-function mutations in KRIT1 lead to the development of cerebral cavernous malformations (CCM), a disease marked by the formation of abnormal blood vessels which exhibit a loss of barrier function, increased endothelial proliferation, and altered gene expression. While many advances have been made in our understanding of how KRIT1, and the functionally related proteins CCM2 and PDCD10, contribute to the regulation of blood vessels and the vascular barrier, some important open questions remain. In addition, KRIT1 is widely expressed and KRIT1 and the other CCM proteins have been shown to play important roles in non-endothelial cell types and tissues, which may or may not be related to their role as pathogenic originators of CCM. In this review, we discuss some of the unsettled questions regarding the role of KRIT1 in vascular physiology and discuss recent advances that suggest this ubiquitously expressed protein may have a role beyond the endothelial cell.
Multi‐scale skeleton simplification graph convolutional network for skeleton‐based action recognition
Authors: Zhang Fan , Chongyang Ding , Liu Kai , Hongjin Liu 
Published: July 2024

AbstractHuman action recognition based on graph convolutional networks (GCNs) is one of the hotspots in computer vision. However, previous methods generally rely on handcrafted graph, which limits the effectiveness of the model in characterising the connections between indirectly connected joints. The limitation leads to weakened connections when joints are separated by long distances. To address the above issue, the authors propose a skeleton simplification method which aims to reduce the number of joints and the distance between joints by merging adjacent joints into simplified joints. Group convolutional block is devised to extract the internal features of the simplified joints. Additionally, the authors enhance the method by introducing multi‐scale modelling, which maps inputs into sequences across various levels of simplification. Combining with spatial temporal graph convolution, a multi‐scale skeleton simplification GCN for skeleton‐based action recognition (M3S‐GCN) is proposed for fusing multi‐scale skeleton sequences and modelling the connections between joints. Finally, M3S‐GCN is evaluated on five benchmarks of NTU RGB+D 60 (C‐Sub, C‐View), NTU RGB+D 120 (X‐Sub, X‐Set) and NW‐UCLA datasets. Experimental results show that the authors’ M3S‐GCN achieves state‐of‐the‐art performance with the accuracies of 93.0%, 97.0% and 91.2% on C‐Sub, C‐View and X‐Set benchmarks, which validates the effectiveness of the method.
Automating psychological hypothesis generation with AI: when large language models meet causal graph
Authors: Tong Song , Mao Kai , Huang Zhen , Zhao Yukun , Peng Kaiping 
Published: July 2024

AbstractLeveraging the synergy between causal knowledge graphs and a large language model (LLM), our study introduces a groundbreaking approach for computational hypothesis generation in psychology. We analyzed 43,312 psychology articles using a LLM to extract causal relation pairs. This analysis produced a specialized causal graph for psychology. Applying link prediction algorithms, we generated 130 potential psychological hypotheses focusing on “well-being”, then compared them against research ideas conceived by doctoral scholars and those produced solely by the LLM. Interestingly, our combined approach of a LLM and causal graphs mirrored the expert-level insights in terms of novelty, clearly surpassing the LLM-only hypotheses (t(59) = 3.34,p = 0.007 andt(59) = 4.32,p < 0.001, respectively). This alignment was further corroborated using deep semantic analysis. Our results show that combining LLM with machine learning techniques such as causal knowledge graphs can revolutionize automated discovery in psychology, extracting novel insights from the extensive literature. This work stands at the crossroads of psychology and artificial intelligence, championing a new enriched paradigm for data-driven hypothesis generation in psychological research.
Upgrading the production of plasma-activated water for sterilization by preloading long-lived reactive species
Authors: Wang Zifeng , Wang Xiangyu , Xu Shenghang , Liu Dingxin , Zhang Jingyao , Yue Qiuyi , Wang Luge , Zhang Pengfei , Jia Yikang , Zhang Jishen , Guo Li , Pei Dandan , Liu Chang , Rong Mingzhe 
Published: July 2024

Abstract
Plasma-activated water (PAW) has broad prospects in the medical field because it is rich in reactive nitrogen and oxygen species. However, in most production processes of PAW, a large proportion of gaseous reactive species is converted into long-lived aqueous species with minor biochemical activity, and only a small proportion is converted into crucial short-lived aqueous species, which results in inefficient activation of PAW. Given the indispensability and easy availability of long-lived aqueous species, this study proposes to preload HNO3 and H2O2 into water and then generate plasma to induce short-lived aqueous species, thus improving the production rate of PAW. The addition of 1 mM HNO3 and 0.5% H2O2 results in a 100-fold increase in the production rate of the PAW with a bactericidal rate exceeding 99.9999%, and the preloaded HNO3 and H2O2 promote the dissolution of O3 and the generation of short-lived aqueous species, respectively. Moreover, the preloaded species improve the validity period of PAW and the resistance of sterilization to acid-base neutralizers. This study offers a novel approach for upgrading the production of PAW, which holds promise for realizing rapid PAW production with a portable device for clinical medical applications.
Patterning optimization for device realization of patterned GaAsSbN nanowire photodetectors
Authors: Johnson Sean , Pokharel Rabin , Lowe Michael , Dawkins Kendall , Li Jia , Iyer Shanthi 
Published: July 2024

Abstract
Vertically grown nanowires (NWs) are a research interest in optoelectronics and photovoltaic applications due to their high surface to volume ratio and good light trapping capabilities. This study presents the effects of process and design parameters on self-catalyzed GaAsSbN NWs grown by plasma-assisted molecular beam epitaxy on patterned silicon substrates using electron beam lithography. Vertical alignment of the patterned NWs examined via scanning electron microscopy show the sensitivity of patterned NW growth to the parameters of NW diameter, pitch, dose time, etching techniques and growth plan. Diameters range from 90 nm to 250 nm. Pitch lengths of 200 nm, 400 nm, 600 nm, 800 nm, 1000 nm, and 1200 nm were examined. Dry etching of the oxide layer of the silicon substrate and PMMA coating is performed using reactive ion etching (RIE) for 20 s and 120 s respectively. Comparisons of different HF etch durations performed pre and post PMMA removal are presented. Additionally, the report of an observed surfactant effect in dilute nitride GaAsSbN NWs in comparison to non-nitride GaAsSb is presented. Optimizations to patterning, RIE, and HF etching are presented to obtain higher vertical yield of patterned GaAsSbN NWs, achieving ∼80% of the expected NW µm2. Room temperature and 4 K photoluminescence results show the effect of nitride incorporation for further bandgap tuning, and patterned pitch on the optical characteristics of the NWs which gives insights to the compositional homogeneity for NWs grown at each pitch length.
Investigation of superparamagnetic iron oxide nanoparticles in air environment for elevated saturation magnetization
Authors: Karaagac Oznur , Köçkar Hakan 
Published: July 2024

Abstract
Iron oxide nanoparticles have garnered interest for their unique properties and wide application areas. For applications, superparamagnetic nanoparticles are required so that they can be magnetized by an external magnetic field and rapidly demagnetize again when the field is removed. High saturation magnetization, Ms is also required for applications to provide easy magnetic control over separation and targeting. For magnetically controlled applications, superparamagnetic iron oxide nanoparticles with a high Ms are important. In this study, superparamagnetic iron oxide nanoparticles were co-precipitated under air atmosphere and the effects of alkali concentration, stirring rate and reaction time on the structural and related magnetic properties were investigated to obtain the high Ms for each parameter. According to the structural results, it is challenging to obtain magnetite nanoparticles under air atmosphere due to oxidizing effect. The increase of Ms values with the increase of alkali concentration may come from the phase of the samples although the crystal size of the nanoparticles is getting smaller. It can be said that there is an optimum stirring rate to obtain the highest Ms under air atmosphere rather than an uptrend/downtrend. The maximum Ms of 69.2 emu g−1 was obtained for superparamagnetic iron oxide nanoparticles synthesized at 700 rpm. With the increase of reaction time, magnetic size of the nanoparticles is observed to decrease in contrast with the increase of physical particle size. The maximum Ms value for the reaction time parameter is 67.3 emu g−1 at 15 min. Due to their high Ms values and superparamagnetic nature, the nanoparticles synthesized under study may find use in magnetic separation, water purification, and other related fields.
Thermal conductivity of iron under the Earth’s inner core pressure
Authors: Hu 胡 Cui-E 翠娥 , Jiao 焦 Mu-Xin 亩鑫 , Yang 杨 Xue-Nan 学楠 , Zeng 曾 Zhao-Yi 召益 , Chen 陈 Jun 军 
Published: July 2024

Abstract
The thermal conductivity of ε-iron at high pressure and high temperature is a key parameter to constrain the dynamics and thermal evolution of the Earth’s core. In this work, we use first-principles calculations to study the Hugoniot sound velocity and the thermal transport properties of ε-iron. The total thermal conductivity considering lattice vibration is 200 W/mK at the Earth’s inner core conditions. The suppressed anharmonic interactions can significantly enhance the lattice thermal conductivity under high pressure, and the contribution of the lattice thermal conductivity should not be ignored under the Earth’s core conditions.
Research on the manufacturing of nickel coatings by jet electrodeposition after laser pretreatment with different media
Authors: Jiang Wei , Cheng Wenwei , Zhai Xiangguo , Liu Julian , Chen Yuanlong 
Published: July 2024

Abstract
This study aims to address the corrosion issues faced by 45 steel to meet its usage requirements and propose a method combining liquid-phase assisted laser and jet electrodeposition. In this method, the sample surface was the first laser pretreated in different media, and then Ni was deposited on its surface using jet electrodeposition. This paper investigates in detail the effects of laser pretreatment on the surface quality of nickel coating after jet electrodeposition in four different media (Air, Water, Saturated NaHCO3, 95%C2H5OH+5%H2O2). The experimental results indicate that liquid-phase assisted laser pretreatment had improved the surface quality of Ni coating. Especially after laser pretreatment in saturated NaHCO3 medium, the adhesion of the deposited coating increased by 50% compared to air, and the roughness decreased from 20.945 μm in the air to 0.373 μm. The corrosion current density decreased from 120.2 μA·cm−2 on the substrate to 1.605 μA·cm−2.
Preliminary compact torus injection experiments on the Keda Torus eXperiment reversed field pinch
Authors: LAN 兰 Tao 涛 , CHEN 陈 Chen 晨 , XIAO 肖 Chijin 持进 , DING 丁 Weixing 卫星 , WU 吴 Jie 捷 , MAO 毛 Wenzhe 文哲 , ZHANG 张 Sen 森 , KONG 孔 Defeng 德峰 , ZHANG 张 Shoubiao 寿彪 , WU 吴 Zhengwei 征威 , DONG 董 Qilong 期龙 , ZHOU 周 Yongkang 永康 , XU 许 Hangqi 航齐 , WU 邬 Jiaren 佳仁 , WEI 卫 Zian 子安 , WEN 温 Xiaohui 晓辉 , WANG 汪 Hai 海 , ZHOU 周 Chu 楚 , LIU 刘 Adi 阿娣 , LI 李 Hong 弘 , XIE 谢 Jinlin 锦林 , LIU 刘 Wandong 万东 , ZHUANG 庄 Ge 革 
Published: July 2024

Abstract
A new compact torus injector (KTX-CTI) has been built for injection experiments on the Keda Torus eXperiment (KTX) reversed field pinch (RFP). The aim is to study the fundamental physics governing the compact torus (CT) central fueling processes. In experiments conducted under the sole influence of a 0.1 T toroidal magnetic field, the injected CT successfully penetrated the entire toroidal magnetic field, reaching the inner wall of the KTX vacuum vessel. Upon reaching the inner wall, the CT diffused both radially outward and toroidally within the vessel at a discernible diffusion speed. Moreover, the inherent helicity within the CT induced a modest KTX plasma current of 200 A, consistent with predictions based on helicity conservation. CT injection demonstrated the capability to initiate KTX discharges at low loop voltages, suggesting its potential as a pre-ionization and current startup technique. During RFP discharges featuring CT injection, the central plasma density was found to exceed the Greenwald density limit, with more peaked density profiles, indicating the predominant confinement of CT plasma within the core region of the KTX bulk plasma.
Dhobis of Delhi
Authors: Mitra Channa Subhadra 
Published: July 2024

Abstract
This is an ethnography using traditional anthropological fieldwork methods that record the journey of an untouchable washerman (dhobi) community over a span of more than forty years. The temporal span of this work is extended beyond the years of personal interaction with the help of historical and literary sources. This is one of the first and only detailed descriptions of the dhobi way of life, their economy and political life, their identity based on their community (biradari), and their cosmology and value systems. It is a story of their adaptation to the changing urban milieu in which they have been embedded since the inception of the present city of Delhi as Shahjahanabad. This book also traces the transformations of the city, seen through the eyes of a community situated at its bottom. Although marginalized, the dhobis use all strategies and tactics required to navigate their lives and occupation to be viable. Caste is seen here not just as a hierarchical system but also as a means to form strong and viable horizontal ties that confer identity and security. The book is a study of community life and resilience as well as the politics of daily life and strategies for survival of those in a precarious position. The focus is on the lived experiences of caste and community life and not on social relations that are viewed as flexible and adaptive. The book critiques the biased urban planning with its top-down approach that ignores those who have been historically disadvantaged.
Bayesian estimation of covariate assisted principal regression for brain functional connectivity
Authors: Park Hyung G 
Published: July 2024

Abstract
This paper presents a Bayesian reformulation of covariate-assisted principal regression for covariance matrix outcomes to identify low-dimensional components in the covariance associated with covariates. By introducing a geometric approach to the covariance matrices and leveraging Euclidean geometry, we estimate dimension reduction parameters and model covariance heterogeneity based on covariates. This method enables joint estimation and uncertainty quantification of relevant model parameters associated with heteroscedasticity. We demonstrate our approach through simulation studies and apply it to analyze associations between covariates and brain functional connectivity using data from the Human Connectome Project.
A case of atypical meningioma presenting spontaneous infarction: the findings of magnetic resonance imaging, including amide proton transfer-chemical exchange saturation transfer imaging
Authors: Iida Etsushi , Inoue Atsuo , Tanabe Masaya , Kamamura Naohiko , Ito Katsuyoshi 
Published: July 2024

Abstract
We report the MRI findings of a patient with an atypical meningioma who presented with spontaneous infarction. A 67-year-old man with histories of recurrent meningioma complained of left ocular protrusion and a subsequent biopsy revealed atypical meningioma. Contrast-enhanced CT showed a uniformly enhancing tumour in the left ethmoid sinus, but MRI 2 days later showed no enhancement on Gd-T1WI and severe diffusion restriction on DWI, indicating spontaneous infarction. APT-CEST imaging showed slight hypointensity in comparison to the normal brain with a mean MTR asymmetry value of 0.48%. Tumour regrowth was confirmed on MRI after 2 months. The recurrent tumour showed moderate diffusion restriction on DWI and hyperintensity with a mean MTR asymmetry value of 2.59% on APT-CEST imaging. The decreased signal on APT-CEST at the time of spontaneous infarction may have been attributed to intratumoral acidosis and loss of viable tumour. APT-CEST imaging is useful for evaluating the intratumoral condition and tumour viability of the infarcted or ischemic tumour.
The haunting of classics in the Dark Academia aesthetic
Authors: Lee Tori F 
Published: July 2024

Abstract
This article explores the online aesthetic ‘Dark Academia’ from the perspective of Classical reception. Dark Academia became popular during the COVID-19 era as an internet subculture revolving around bookishness, university culture, the Gothic, and the Classical. From its beginning as a Tumblr fandom around Donna Tartt’s The Secret History (1992), Dark Academia has grown to reach millions of followers worldwide across numerous social media platforms. This article argues that we can think of Dark Academia’s reception of Classics as a ‘haunting’ as defined by James Uden in Spectres of Antiquity (2020), made up of fragmentary, disconnected references — similar to the reception of Classics in Gothic literature. Dark Academia’s reception, however, is twofold: a reception of Classical antiquity itself, but also of the academic discipline of Classics. As such, the field is twice implicated. Classics must address Dark Academia both as a potential gateway for attracting interest in the ancient world, but also as another phenomenon that reflects and amplifies its own pernicious disciplinary legacy.