bluuebunny/crossref_metadata_2025 huggingface dataset:
Neural correlates of reward valuation in individuals with nonsuicidal self-injury under uncertainty
Authors: Lee Jae Oh , Moon Hyeri , Zoh Soo-Min , Jo Eunjin , Hur Ji-Won
Published: September 2024

Background

Attitudes toward risk and ambiguity significantly influence how individuals assess and value rewards. This fMRI study examines the reward valuation process under conditions of uncertainty and investigates the associated neural mechanisms in individuals who engage in nonsuicidal self-injury (NSSI) as a coping mechanism for psychological pain.

Methods

The study involved 44 unmedicated individuals who reported five or more NSSI episodes in the past year, along with 42 age-, sex-, handedness-, IQ-, and socioeconomic status-matched controls. During the fMRI scans, all participants were presented with decision-making scenarios involving uncertainty, both in terms of risk (known probabilities) and ambiguity (unknown probabilities).

Results

In the NSSI group, aversive attitudes toward ambiguity were correlated with increased emotion reactivity and greater method versatility. Whole-brain analysis revealed notable group-by-condition interactions in the right middle cingulate cortex and left hippocampus. Specifically, the NSSI group showed decreased neural activation under ambiguity v. risk compared to the control group. Moreover, reduced hippocampal activation under ambiguity in the NSSI group was associated with increased emotion regulation problems.

Conclusions

This study presents the first evidence of reduced brain activity in specific regions during value-based decision-making under conditions of ambiguity in individuals with NSSI. These findings have important clinical implications, particularly concerning emotion dysregulation in this population. This study indicates the need for interventions that support and guide individuals with NSSI to promote adaptive decision-making in the face of ambiguous uncertainty.
Certainly Uncertainty
Authors: Altenmüller Marlene S. , Stark Johannes , Schlegl Sonja , Englhardt Kerstin , Dengl Petra , Henning Wiebke , Bloemer Julia , Gollwitzer Mario
Published: September 2024

Abstract: Science museums face the challenge of communicating the inherent uncertainties of science without risking the public’s trust and interest in science. Here, we investigated potential museum visitors’ (N = 466) reception and support for such uncertainty communication by combining an experimental and survey approach as well as quantitative and qualitative data. First, we experimentally manipulated whether historic consensus uncertainty was communicated (a) not at all, (b) incidentally, or (c) explicitly. Uncertainty neither affected visitors’ trust nor interest in the presented information, in a hypothetical exhibition, or in science in general, or their attitudes towards current scientific debates. Second, we asked participants directly about their opinion towards uncertainty communication in science museums, revealing overwhelmingly positive attitudes and 12 times as many statements in support of (vs. against) communicating uncertainty in science exhibitions. These findings suggest that potential museum visitors’ do not only tolerate but actively support uncertainty communication in science museums.
Time for an Update
Authors: Schreiner Marcel R. , Quevedo Pütter Julian , Rebholz Tobias R.
Published: September 2024

Abstract: Scientific evidence for many effects tends to be ambiguous. Here we investigated how psychological novices update their preexisting beliefs about psychological effects based on ambiguous scientific evidence. Specifically, we investigated various predictors and systematic patterns of belief updating. Participants were presented a series of fictitious hypotheses, accompanied by a series of fictitious study outcomes. For each hypothesis, we assessed participants’ preexisting beliefs and subjective expertise regarding the topic, as well as their posterior beliefs after presentation of scientific evidence. We found a negative effect of subjective expertise and positive effects of trust in psychological science and number of studies investigating an effect on belief updating. We further found evidence for a belief updating pattern according to which participants weight the outcome of the most recent study stronger than that of previous studies. The results advance our understanding of evidence-based belief updating and provide practical implications for science communication.
Deciphering the Significant Role of Biological Ice Nucleators in Precipitation at the Organic Molecular Level
Authors: Niu Mutong , Hu Wei , Huang Shu , Chen Jie , Zhong Shujun , Huang Ziye , Duan Peimin , Pei Xiangyu , Duan Jing , Bi Kai , Chen Shuang , Jin Rui , Sheng Ming , Yang Ning , Wu Libin , Deng Junjun , Zhu Jialei , Shen Fangxia , Wu Zhijun , Zhang Daizhou , Fu Pingqing
Published: September 2024

Biological particles, as a fraction of organic particles, potentially play a crucial role in ice nucleation processes. However, the contributions and relationships of biological components and organic matter (OM) to atmospheric ice nucleation remain largely unexplored. Here, total ice nucleating particles (INPs), heat‐resistant INPs, lysozyme‐resistant INPs, nanoscale INPs (<0.22 μm), and heat‐resistant nanoscale INPs in precipitation collected at the summit of Mt. Lu, China, were determined using droplet freezing assays coupled with corresponding pretreatments. Heat‐sensitive INPs and lysozyme‐sensitive INPs were considered as biological INPs and bacterial INPs, respectively. Microorganisms and OM molecules in precipitation were identified by high‐throughput sequencing technology and ultrahigh‐resolution mass spectrometry, respectively. Results revealed a predominant biological (heat‐sensitive) composition (78.8% and 93.2%) of total and nanoscale INPs at temperatures above −15°C. Specifically, bacterial (lysozyme‐sensitive) INPs accounted for 36.1% of the biological INPs at temperatures above −15°C. A notable correlation between sulfur‐containing organic compounds, mainly proteinaceous and lignin‐like substances, and INPs was uncovered, with a co‐occurrence network linking these compounds to Gram‐positive bacteria and Agaricomycetes. This study underscored the possible significance of sulfur‐containing organic compounds in the ice nucleation capacity of biological INPs, further shedding light on the ice nucleation mechanisms and potential sources of biological INPs.
Effects of Sea Ice on Arctic Delta Evolution: A Modeling Study of the Colville River Delta, Alaska
Authors: Cooper Caroline , Eidam Emily , Seim Harvey , Nienhuis Jaap
Published: September 2024

Seasonal sea ice impacts Arctic delta morphology by limiting wave and river influences and altering river‐to‐ocean sediment pathways. However, the long‐term effects of sea ice on delta morphology remain poorly known. To address this gap, 1D morphologic and hydrodynamic simulations were set up in Delft3D to study the 1500‐year development of Arctic deltas during the most energetic Arctic seasons: spring break‐up/freshet, summer open‐water, and autumn freeze‐up. The model focused on the deltaic clinoform (i.e., the vertical cross‐sectional view of a delta) and used a floating barge structure to mimic the effects of sea ice on nearshore waters. From the simulations we find that ice‐affected deltas form a compound clinoform morphology, that is, a coupled subaerial and subaqueous delta separated by a subaqueous platform that resembles the shallow platform observed offshore of Arctic deltas. Nearshore sea ice affects river dynamics and promotes sediment bypassing during sea ice break‐up, forming an offshore depocenter and building a subaqueous platform. A second depocenter forms closer to shore during the open‐water season at the subaerial foreset that aids in outbuilding the subaerial delta and assists in developing the compound clinoform morphology. Simulations of increased wave activity and reduced sea‐ice, likely futures under a warming Arctic climate, show that deltas may lose their shallow platform on centennial timescales by (a) sediment infill and/or (b) wave erosion. This study highlights the importance of sea ice on Arctic delta morphology and the potential morphologic transitions these high‐latitude deltas may experience as the Arctic continues to warm.
RAB17 promotes endometrial cancer progression by inhibiting TFRC-dependent ferroptosis
Authors: Zhou Xing , Nie Miaomiao , Xin Xiaoyan , Hua Teng , Zhang Jun , Shi Rui , Dong Kejun , Shu Wan , Yan Bei , Wang Hongbo
Published: September 2024

Studies have indicated that RAB17 expression levels are associated with tumor malignancy, and RAB17 is more highly expressed in endometrial cancer (EC) tissues than in peritumoral tissues. However, the roles and potential mechanisms of RAB17 in EC remain undefined. The present study confirmed that the expression of RAB17 facilitates EC progression by suppressing cellular ferroptosis-like alterations. Mechanistically, RAB17 attenuated ferroptosis in EC cells by inhibiting transferrin receptor (TFRC) protein expression in a ubiquitin proteasome-dependent manner. Because EC is a blood-deprived tumor with a poor energy supply, the relationship between RAB17 and hypoglycemia was investigated. RAB17 expression was increased in EC cells incubated in low-glucose medium. Moreover, low-glucose medium limited EC cell ferroptosis and promoted EC progression through the RAB17-TFRC axis. The in vitro results were corroborated by in vivo studies and clinical data. Overall, the present study revealed that increased RAB17 promotes the survival of EC cells during glucose deprivation by inhibiting the onset of TFRC-dependent ferroptosis.
Maintenance of magnesium homeostasis by NUF2 promotes protein synthesis and anaplastic thyroid cancer progression
Authors: Bao Lisha , Gong Yingying , Che Yulu , Li Ying , Xu Tong , Chen Jinming , Wang Shanshan , Tan Zhuo , Huang Ping , Pan Zongfu , Ge Minghua
Published: September 2024

Thyroid cancer is the most frequently observed endocrine-related malignancy among which anaplastic thyroid cancer (ATC) is the most fatal subtype. The synthesis of protein is active to satisfy the rapid growth of ATC tumor, but the mechanisms regulating protein synthesis are still unknown. Our research revealed that kinetochore protein NUF2 played an essential role in protein synthesis and drove the progression of ATC. The prognosis of patients with thyroid carcinoma was positively correlated with high NUF2 expression. Depletion of NUF2 in ATC cells notably inhibited the proliferation and induced apoptosis, while overexpression of NUF2 facilitated ATC cell viability and colony formation. Deletion of NUF2 significantly suppressed the growth and metastasis of ATC in vivo. Notably, knockdown of NUF2 epigenetically inhibited the expression of magnesium transporters through reducing the abundance of H3K4me3 at promoters, thereby reduced intracellular Mg2+ concentration. Furthermore, we found the deletion of NUF2 or magnesium transporters significantly inhibited the protein synthesis mediated by the PI3K/Akt/mTOR pathway. In conclusion, NUF2 functions as an emerging regulator for protein synthesis by maintaining the homeostasis of intracellular Mg2+, which finally drives ATC progression.
Methyltransferase METTL3 governs the modulation of SH3BGR expression through m6A methylation modification, imparting influence on apoptosis in the context of Down syndrome-associated cardiac development
Authors: Shi Weili , Chen Rui , Zhou Mingjie , Li Yunian , Zhang Yuwei , Wang Jikui , Hao Bingtao , Liao Shixiu
Published: September 2024

Down syndrome (DS), caused by an additional chromosome 21, has a high risk of congenital heart defects (CHD), one of the primary causes of mortality in DS newborns. To elucidate the pathogenetic mechanisms underlying this condition, we explored the role of RNA m6A methylation, regulated by METTL3, in DS cardiac development and its impact on the expression of SH3BGR, a gene located at Down syndrome congenital heart disease (DS-CHD) minimal region. We analyzed DS fetal cardiac tissues to assess RNA m6A methylation levels and identify potential contributors. RNA sequencing was performed to detect differentially expressed genes in the same tissues. To further understand METTL3’s function in heart development, we inactivated Mettl3 in the developing mouse heart to mimic the significantly reduced METTL3 observed in DS cardiac development. Additionally, human cardiomyocyte AC16 cells were used to investigate the molecular mechanism by which METTL3 regulates SH3BGR expression. Apoptosis was analyzed to evaluate METTL3’s effect on heart development through SH3BGR regulation. Reduced m6A modification and decreased METTL3 expression were observed in human DS fetal hearts, along with a significant increase of SH3BGR expression. METTL3, through m6A modification, was found to regulate SH3BGR expression, by influencing mRNA stability. METTL3-deficient mouse embryos exhibited heart malformation with increased apoptosis, emphasizing its role in heart development. In DS hearts, METTL3 downregulation and SH3BGR upregulation, potentially orchestrated by abnormal m6A modification, contribute to gene dysregulation and apoptosis. This study reveals novel insights into DS cardiac pathology, highlighting the intricate role of METTL3 in DS congenital heart defects and presenting the m6A modification of SH3BGR as a potential therapeutic target.
Light-gated integrator for highlighting kinase activity in living cells
Authors: Lin Wei , Phatarphekar Abhishek , Zhong Yanghao , Liu Longwei , Kwon Hyung-Bae , Gerwick William H. , Wang Yingxiao , Mehta Sohum , Zhang Jin
Published: September 2024

Protein kinases are key signaling nodes that regulate fundamental biological and disease processes. Illuminating kinase signaling from multiple angles can provide deeper insights into disease mechanisms and improve therapeutic targeting. While fluorescent biosensors are powerful tools for visualizing live-cell kinase activity dynamics in real time, new molecular tools are needed that enable recording of transient signaling activities for post hoc analysis and targeted manipulation. Here, we develop a light-gated kinase activity coupled transcriptional integrator (KINACT) that converts dynamic kinase signals into “permanent” fluorescent marks. KINACT enables robust monitoring of kinase activity across scales, accurately recording subcellular PKA activity, highlighting PKA activity distribution in 3D cultures, and identifying PKA activators and inhibitors in high-throughput screens. We further leverage the ability of KINACT to drive signaling effector expression to allow feedback manipulation of the balance of GαsR201C-induced PKA and ERK activation and dissect the mechanisms of oncogenic G protein signaling.
Divergent mechanisms of steroid inhibition in the human ρ1 GABAA receptor
Authors: Fan Chen , Cowgill John , Howard Rebecca J. , Lindahl Erik
Published: September 2024

ρ-type γ-aminobutyric acid-A (GABAA) receptors are widely distributed in the retina and brain, and are potential drug targets for the treatment of visual, sleep and cognitive disorders. Endogenous neuroactive steroids including β-estradiol and pregnenolone sulfate negatively modulate the function of ρ1 GABAA receptors, but their inhibitory mechanisms are not clear. By combining five cryo-EM structures with electrophysiology and molecular dynamics simulations, we characterize binding sites and negative modulation mechanisms of β-estradiol and pregnenolone sulfate at the human ρ1 GABAA receptor. β-estradiol binds in a pocket at the interface between extracellular and transmembrane domains, apparently specific to the ρ subfamily, and disturbs allosteric conformational transitions linking GABA binding to pore opening. In contrast, pregnenolone sulfate binds inside the pore to block ion permeation, with a preference for activated structures. These results illuminate contrasting mechanisms of ρ1 inhibition by two different neuroactive steroids, with potential implications for subtype-specific gating and pharmacological design.
Experimental evolution of yeast shows that public-goods upregulation can evolve despite challenges from exploitative non-producers
Authors: Lindsay Richard J. , Holder Philippa J. , Hewlett Mark , Gudelj Ivana
Published: September 2024

Microbial secretions, such as metabolic enzymes, are often considered to be cooperative public goods as they are costly to produce but can be exploited by others. They create incentives for the evolution of non-producers, which can drive producer and population productivity declines. In response, producers can adjust production levels. Past studies suggest that while producers lower production to reduce costs and exploitation opportunities when under strong selection pressure from non-producers, they overproduce secretions when these pressures are weak. We challenge the universality of this trend with the production of a metabolic enzyme, invertase, by Saccharomyces cerevisiae, which catalyses sucrose hydrolysis into two hexose molecules. Contrary to past studies, overproducers evolve during evolutionary experiments even when under strong selection pressure from non-producers. Phenotypic and competition assays with a collection of synthetic strains - engineered to have modified metabolic attributes - identify two mechanisms for suppressing the benefits of invertase to those who exploit it. Invertase overproduction increases extracellular hexose concentrations that suppresses the metabolic efficiency of competitors, due to the rate-efficiency trade-off, and also enhances overproducers’ hexose capture rate by inducing transporter expression. Thus, overproducers are maintained in the environment originally thought to not support public goods production.
Practical feature filter strategy to machine learning for small datasets in chemistry
Authors: Hu Yang , Sandt Roland , Spatschek Robert
Published: September 2024

Many potential use cases for machine learning in chemistry and materials science suffer from small dataset sizes, which demands special care for the model design in order to deliver reliable predictions. Hence, feature selection as the key determinant for dataset design is essential here. We propose a practical and efficient feature filter strategy to determine the best input feature candidates. We illustrate this strategy for the prediction of adsorption energies based on a public dataset and sublimation enthalpies using an in-house training dataset. The input of adsorption energies reduces the feature space from 12 dimensions to two and still delivers accurate results. For the sublimation enthalpies, three input configurations are filtered from 14 possible configurations with different dimensions for further productive predictions as being most relevant by using our feature filter strategy. The best extreme gradient boosting regression model possesses a good performance and is evaluated from statistical and theoretical perspectives, reaching a level of accuracy comparable to density functional theory computations and allowing for physical interpretations of the predictions. Overall, the results indicate that the feature filter strategy can help interdisciplinary scientists without rich professional AI knowledge and limited computational resources to establish a reliable small training dataset first, which may make the final machine learning model training easier and more accurate, avoiding time-consuming hyperparameter explorations and improper feature selection.
Uptake of substances into living mammalian cells by microwave induced perturbation of the plasma membrane
Authors: Milden-Appel Manuela , Paravicini Markus , Milden Jannick P. , Schüßler Martin , Jakoby Rolf , Cardoso M. Cristina
Published: September 2024

Delivering foreign molecules and genetic material into cells is a crucial process in life sciences and biotechnology, resulting in great interest in effective cell transfection methods. Importantly, physical transfection methods allow delivery of molecules of different chemical composition and are, thus, very flexible. Here, we investigated the influence of microwave radiation on the transfection and survival of mammalian cells. We made use of an optimized microwave-poration device and analyzed its performance (frequency and electric field strength) in comparison with simulations. We, then, tested the effect of microwave irradiation on cells and found that 18 GHz had the least impact on cell survival, viability, cell division and genotoxicity while 10 GHz drastically impacted cell physiology. Using live-cell fluorescence microscopy and image analysis, we tested the uptake of small chemical substances, which was most efficient at 18 GHz and correlated with electric field strength and frequency. Finally, we were able to obtain cellular uptake of molecules of very different chemical composition and sizes up to whole immunoglobulin antibodies. In conclusion, microwave-induced poration enables the uptake of widely different substances directly into mammalian cells growing as adherent cultures and with low physiological impact.
Observational evidence reveals the significance of nocturnal chemistry in seasonal secondary organic aerosol formation
Authors: Liu Lu , Hohaus Thorsten , Franke Philipp , Lange Anne C. , Tillmann Ralf , Fuchs Hendrik , Tan Zhaofeng , Rohrer Franz , Karydis Vlassis , He Quanfu , Vardhan Vaishali , Andres Stefanie , Bohn Birger , Holland Frank , Winter Benjamin , Wedel Sergej , Novelli Anna , Hofzumahaus Andreas , Wahner Andreas , Kiendler-Scharr Astrid
Published: September 2024

Oxidized Organic Aerosol (OOA), a major component of fine atmospheric particles, impacts climate and human health. Previous experiments and atmospheric models emphasize the importance of nocturnal OOA formation from NO3· oxidation of biogenic VOCs. This seasonal study extends the understanding by showing that nocturnal oxidation of biomass-burning emissions can account for up to half of total OOA production in fall and winter. It is the first to distinguish nocturnal OOA characteristics from daytime OOA across all seasons using bulk aerosol measurements. Summer observations of nocturnal OOA align well with regional chemistry transport model predictions, but discrepancies in other seasons reveal a common model deficiency in representing biomass-burning emissions and their nocturnal oxidation. This study underscores the significance of near-ground nocturnal OOA production, proposes a method to differentiate it using bulk aerosol measurements, and suggests model optimization strategies. These findings enhance the understanding and prediction of nighttime OOA formation.
Readout error mitigated quantum state tomography tested on superconducting qubits
Authors: Aasen Adrian Skasberg , Di Giovanni Andras , Rotzinger Hannes , Ustinov Alexey V. , Gärttner Martin
Published: September 2024

Quantum technologies rely heavily on accurate control and reliable readout of quantum systems. Current experiments are limited by numerous sources of noise that can only be partially captured by simple analytical models and additional characterization of the noise sources is required. We test the ability of readout error mitigation to correct noise found in systems composed of quantum two-level objects (qubits). To probe the limit of such methods, we designed a beyond-classical readout error mitigation protocol based on quantum state tomography (QST), which estimates the density matrix of a quantum system, and quantum detector tomography (QDT), which characterizes the measurement procedure. By treating readout error mitigation in the context of state tomography the method becomes largely readout mode-, architecture-, noise source-, and quantum state-independent. We implement this method on a superconducting qubit and evaluate the increase in reconstruction fidelity for QST. We characterize the performance of the method by varying important noise sources, such as suboptimal readout signal amplification, insufficient resonator photon population, off-resonant qubit drive, and effectively shortened T1 and T2 coherence. As a result, we identified noise sources for which readout error mitigation worked well, and observed decreases in readout infidelity by a factor of up to 30.
The influence of AHR on immune and tissue biology
Authors: Stockinger Brigitta , Diaz Oscar E , Wincent Emma
Published: September 2024

The aryl hydrocarbon receptor is a ligand dependent transcription factor which functions as an environmental sensor. Originally discovered as the sensor for man made pollutants such as 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD) it has recently gained prominence as an important mediator for environmental triggers via the diet or microbiota which influences many physiological functions in different cell types and tissues across the body. Notably AHR activity contributes to prevent excessive inflammation following tissue damage in barrier organs such as skin, lung or gut which has received wide attention in the past decade. In this review we will focus on emerging common AHR functions across cell types and tissues and discuss ongoing issues that confound the understanding of AHR physiology. Furthermore, we will discuss the need for deeper molecular understanding of the functional activity of AHR in different contexts with respect to development of potential therapeutic applications.
Development of a sensitive LC-MS/MS method for determination of N-nitrosopiperazine in levocetirizine
Authors: Lim Yujin , Kim Aelim , Lee Yong-Moon , Cho Hwangeui
Published: September 2024

Levocetirizine is one of the widely used antihistamines and has the potential to form N-nitrosopiperazine (NPZ) during drug synthesis, manufacturing, or storage.
Direct C(sp3)–H functionalization with aryl and alkyl radicals as intermolecular hydrogen atom transfer (HAT) agents
Authors: Tu Jia-Lin , Huang Binbin
Published: September 2024

Recent years have witnessed the emergence of direct intermolecular C(sp3)–H bond functionalization using in situ generated aryl/alkyl radicals as a unique class of hydrogen atom transfer (HAT) agents.
Regioselective Markovnikov hydrothiolation of 1-aryl-1,3-butadienes with dithiocarbamic acid to allyl dithiocarbamates
Authors: Fernandes Rodney A. , Moharana Sanjita , Choudhary Priyanka , Ranjan Ravikant S.
Published: September 2024

An excellent regioselective Markovnikov dithiocarbamic acid addition to 1-aryl-1,3-butadienes under metal, ligand and solvent-free conditions to yield allyl dithiocarbamates has been developed.
Supramolecular-macrocycle-based functional organic cocrystals
Authors: Ren Susu , Qiao Guan-Yu , Wu Jia-Rui
Published: September 2024

This Review highlights the advancements in the field of functional organic cocrystals based on supramolecular macrocycles, detailing their design principles, preparation strategies, assembly modes, and diverse functions and applications.
Charge separation in a copper(i) donor–chromophore–acceptor assembly for both photoanode and photocathode sensitization
Authors: Singh Zujhar , Chiong Joseph D. , Ricardo-Noordberg Joseph F. , Kamal Saeid , Majewski Marek B.
Published: September 2024

A copper(i) donor–chromophore–acceptor triad bearing 1,8-napthalenemonoimide and triphenylamine is explored as a photosensitizer for the preparation of both photoanodes and photocathodes.
Catalytic fast pyrolysis of cellulose to oxygenates: roles of homogeneous and heterogeneous catalysts
Authors: Zhang Yingchuan , Li Zijing , Zhou Tao , Jia Guangri
Published: September 2024

Catalytic fast pyrolysis (CFP) of biomass is an efficient approach that can overcome the structural recalcitrance of solid biomass (e.g., crystalline cellulose) to produce sugar monomers and their derivatives within seconds.
On the design of optimal computer experiments to model solvent effects on reaction kinetics
Authors: Gui Lingfeng , Armstrong Alan , Galindo Amparo , Sayyed Fareed Bhasha , Kolis Stanley P. , Adjiman Claire S.
Published: September 2024

Model-based design of experiments using the D-optimality criterion can help select computer experiments to generate more information-rich training sets and leads to more reliable surrogate models that can be used for efficient molecular design.
A novel symmetrical mononuclear zinc complex: synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, and application in a supercapacitor electrode
Authors: Lakhdari-Idir Houria , Ait Ramdane-Terbouche Chafia , Terbouche Achour , Ait Kaci Azzou Katia , Ait Ramdane Khaled , Roisnel Thierry , Aoulmi Fodil , Manseri Amar , Hauchard Didier
Published: September 2024

The development of supercapacitor electrodes based on metal complexes constitutes an interesting step toward different biomedical applications.
Superior performance of iron-doped manganese dioxide for low-temperature propane oxidation
Authors: Yang Zhengqiang , Yu Xinyi , Zhao Jianchao , Wang Rui , Zhang Chuanhui , Cao Haijie
Published: September 2024

Iron-doped manganese dioxide has attracted extensive attention in the abatement of propane, but the application potential at low temperatures remains a challenge.
Potentiometric sensing of glycoprotein: targeting alpha-fetoprotein detection
Authors: Wang Ranxin , Lv Linhui , Qu Ke
Published: September 2024

A potentiometric biosensor was fabricated to detect glycoprotein, which relied on the surface blocking of the ion-selective electrode under zero-current conditions.
Immunomodulatory nanoparticles activate cytotoxic T cells for enhancement of the effect of cancer immunotherapy
Authors: Wells Kory , Liu Tongrui , Zhu Lei , Yang Lily
Published: September 2024

This review explores recent advances in the development of cancer immunotherapy using nanoparticles for tumor vaccine, stimulating tumor specific T cells, and delivering immuno-activation and modulatory agents to activate cytotoxic T cells.
Manipulating the interfacial water structure by electron redistribution for the hydrogen evolution reaction
Authors: He Wei , Feng Weihang , Sun ZhengMing
Published: September 2024

Introducing Ni in a NiRu alloy triggers charge transfer from Ni to Ru, creating electron-rich Ru sites. This attracts K+ cation-hydrated water molecules with an H-down configuration, improving hydrogen evolution reaction performance.
One-pot sequential synthesis of unsymmetrical diarylmethanes using methylene chloride as a C1-synthon
Authors: Cui Xueli , Chen Chunming , Xie Mei , Zhao Taotao , Yi Jianfeng , Sun Weiqiang , Xiong Zhuang , Hu Jinhui , Wong Wing-Leung , Wu Jia-Qiang
Published: September 2024

A practical synthesis of asymmetric diarylmethanes using dichloromethane as a C1 synthon with indole, phenol or aniline is described.
Samarium diiodide/samarium-mediated direct deoxygenative hydroborylation of ketones with hydroborane esters
Authors: Liang Yongqi , Ma Yilin , Zhou Wei , Cui Yongmei , Szostak Michal , Liu Chengwei
Published: September 2024

A direct deoxygenative hydroborylation of ketones with hydroborane ester promoted by a combination of samarium diiodide, samarium and nickel has been developed.
Exchange of equatorial ligands in protein-bound paddlewheel Ru25+ complexes: new insights from X-ray crystallography and quantum chemistry
Authors: Terán Aarón , Fasulo Francesca , Ferraro Giarita , Sánchez-Peláez Ana Edilia , Herrero Santiago , Pavone Michele , Muñoz-García Ana Belén , Merlino Antonello
Published: September 2024

The reactivity of [Ru2Cl(D-p-CNPhF)(O2CCH3)3]n (D-p-CNPhF− = N,N′-bis(4-cyanophenyl)formamidinate) with the model protein RNase A has been investigated by X-ray crystallography and Quantum Chemistry.
Design and evaluation of sulfadiazine derivatives as potent dual inhibitors of EGFRWT and EGFRT790M: integrating biological, molecular docking, and ADMET analysis
Authors: Abd El-Lateef Hany M. , Ezelarab Hend A. A. , Ali Ali M. , Alsaggaf Azhaar T. , Mahdi Wael A. , Alshehri Sultan , El Hamd Mohamed A. , Aboelez Moustafa O.
Published: September 2024

A series of derivatives (5–14) were synthesized through the diazotization of sulfadiazine with active methylene compounds.
New multifunctional hybrids as modulators of apoptosis markers and topoisomerase II in breast cancer therapy: synthesis, characterization, and in vitro and in silico studies
Authors: Alhamdi Heba W. , Alfaifi Mohammad Y. , Shati Ali A. , Elbehairi Serag Eldin I. , Er-rajy Mohammed , Elshaarawy Reda F. M. , Hassan Yasser A. , Zakrya Rozan
Published: September 2024

Recently, molecular hybrids of two or more active pharmacophores have shown promise for designing and synthesizing anticancer drugs.
Carbonylations in flow: tube-in-tube reactor vs. gas–liquid slug flow
Authors: Ładosz Agnieszka , Friedli Astrid , Lhuillery Arnaud , Rueedi Georg
Published: September 2024

In order to improve the performance of carbonylation reactions in flow we compared the tube-in-tube system to a gas–liquid two-phase setup.
Stabilizing an exotic dianionic tetrazine bridge in a Ln2 metallocene
Authors: Mavragani Niki , Kitos Alexandros A. , Mansikkamäki Akseli , Murugesu Muralee
Published: September 2024

The first structurally and physically characterized complexes bearing the dianion radical of an s-tetrazine are presented and highlight the extraordinary ability of tetrazines to store more than one electron within their six-membered ring.
Revisiting the activity origin of the PtAu24(SR)18 nanocluster for enhanced electrocatalytic hydrogen evolution by combining first-principles simulations with the experimental in situ FTIR technique
Authors: Sun Fang , Qin Lubing , Tang Zhenghua , Tang Qing
Published: September 2024

We combined first-principles calculations and in situ FTIR characterizations to reveal that the enhanced HER activity of the PtAu24(SR)18 nanocluster is contributed not only by the central Pt atom but also by the exposed bridged Au sites.
Encapsulated TADF macrocycles for high-efficiency solution-processed and flexible organic light-emitting diodes
Authors: Ban Xinxin , Cao Qingpeng , Zhang Wenhao , Bian Wenzhong , Yang Caixia , Wang Jiayi , Qian Youqiang , Xu Hui , Tao Chuanzhou , Jiang Wei
Published: September 2024

An encapsulated TADF macrocycle was constructed with a flexible linker. The solution-processed OLEDs achieve high EQE up to 32.3%. The flexible OLEDs based on the TADF macrocycle exhibit higher brightness, color purity and bending resistance.
Ambient catalyst-free oxidation reactions of aromatic amines using water radical cations
Authors: Zhang Xiaoping , Hu Pinghua , Duan Minmin , Chingin Konstantin , Balabin Roman , Zhang Xinglei , Chen Huanwen
Published: September 2024

Hydroxyl quaternization through the direct oxidation reaction of aromatic amines, facilitated by water radical cations within water microdroplets, is explored.
Explaining the spread in measurement of PDMS elastic properties: influence of test method and curing protocol
Authors: Varner Hannah , Cohen Tal
Published: September 2024

Accuracy in the measurement of mechanical properties is essential for precision engineering and for the interrogation of composition–property relationships.
Structural fluctuations in active glasses
Authors: Yoshida Masaki , Mizuno Hideyuki , Ikeda Atsushi
Published: September 2024

We reveal that three distinct models of active glasses show identical structural fluctuations, indicating universal aspects of vibrational excitations.
Supporting Participation Through Project-Based Intervention: A Tutorial for Working With People With Aphasia in Individual Sessions
Authors: Sather Thomas W. , Strong Katie A.
Published: September 2024

Purpose:

Participation is an integral focus of services to people with aphasia and is considered best practice within the scope of practice for speech-language pathology. The Life Participation Approach to Aphasia encourages meaningful participation in life for people living with aphasia. In theory, providing participation-based services to people with aphasia seems logical; however, embedding these constructs of participation into practice can be challenging for speech-language pathologists (SLPs). Project-based intervention (PBI) provides an authentic opportunity to target participation and support identity reformulation in aphasia intervention. Historically, projects have been provided primarily in group-based settings, which may be difficult for the majority of SLPs who primarily offer individual sessions due to reimbursement. This tutorial provides a framework for using PBI in individual sessions for clients with aphasia using five evidence-based components: (a) shared decision making, (b) patient-reported outcomes, (c) goal setting, (d) the project, and (e) ongoing evaluation. Evidence-based tools and a case example are provided to support each component.

Conclusions:

Projects and PBI provide tangible means of placing participation at the center of intervention while also providing opportunities to target language impairments, identity reconstruction, and various environments in a meaningful and personalized way. Projects can be scaled to the client's needs and abilities as well as to the constraints and options of the service delivery setting.
Multi‐modal fusion attention sentiment analysis for mixed sentiment classification
Authors: Xue Zhuanglin , Xu Jiabin
Published: September 2024

Mixed sentiment classification (MSC) technology has a significant research value and application potential in understanding and analysing sentimental interactions. In the process of identifying and analysing complex sentiments, it is still necessary to overcome the difficulties of multi‐dimensional sentiment recognition and improve sensitivity to subtle sentimental differences. Therefore, a multi‐modal fusion attention sentiment analysis based on MSC to address this challenge is proposed. Firstly, the sentiment analysis fusion strategy based on multi‐modal fusion is studied, which can fully utilise the information of multi‐modal inputs such as text, audio, and video, thereby gaining a more comprehensive understanding and recognition of sentiments. Secondly, a sentiment analysis model based on multi‐modal fusion attention is constructed, which focuses on the key information of multi‐modal inputs to achieve an accurate recognition of mixed sentiments. The experimental results show that the proposed method outperforms existing sentiment analysis methods on both datasets, with F1 values of 83.17 and 84.19, accuracy of 39.15 and 39.98, and errors of 0.516 and 0.524, respectively. The accuracy range is 95.38%–99.89%, verifying the superiority of the method in sentiment analysis. It can be seen that this method provides a more effective and reliable MSC solution, which has practical significance for improving the accuracy and recall of sentiment analysis.
A coordinated scheduling optimization method for integrated energy systems with data centres based on deep reinforcement learning
Authors: Sun Yi , Ding Yiyuan , Chen Minghao , Zhang Xudong , Tao Peng , Guo Wei
Published: September 2024

As an emerging multi‐energy consumption subject, data centres (DCs) are bound to become crucial energy users for integrated energy systems (IES). Therefore, how to fully tap the potential of the collaborative operation between DCs and IES to improve total energy efficiency and economic performance is becoming a pressing need. In this article, the authors research an optimization coordinated by the energy scheduling and information service provision within the scenario of an integrated energy system with a data centre (IES‐DC). The mathematical model of IES‐DC is first established to reveal the energy conversion process of the electricity‐heat‐gas IES and the DC's energy consumption affected by the scale of active IT equipment. For dynamical providing multi‐energy and computing service by coordinating scheduling energy and information equipment, the formulations of IES‐DC scheduling, which is described as a Markov decision process (MDP), are presented, and it is solved by introducing the twin‐delayed deep deterministic policy gradient (TD3), which is a model‐free deep reinforcement learning (DRL) algorithm. Finally, the numerical studies show that compared with benchmarks, the proposed method based on the TD3 algorithm can effectively control the operation of energy conversion equipment and the number of active servers in IES‐DC.
Cervical‐YOSA: Utilizing prompt engineering and pre‐trained large‐scale models for automated segmentation of multi‐sequence MRI images in cervical cancer
Authors: Xia Yanwei , Ou Zhengjie , Tan Lihua , Liu Qiang , Cui Yanfen , Teng Da , Zhao Dan
Published: September 2024

Cervical cancer is a major health concern, particularly in developing countries with limited medical resources. This study introduces two models aimed at improving cervical tumor segmentation: a semi‐automatic model that fine‐tunes the Segment Anything Model (SAM) and a fully automated model designed for efficiency. Evaluations were conducted using a dataset of 8586 magnetic resonance imaging (MRI) slices, where the semi‐automatic model achieved a Dice Similarity Coefficient (DSC) of 0.9097, demonstrating high accuracy. The fully automated model also performed robustly with a DSC of 0.8526, outperforming existing methods. These models offer significant potential to enhance cervical cancer diagnosis and treatment, especially in resource‐limited settings.
Maximum torque per ampere control of permanent magnet reluctance hybrid rotor dual stator synchronous motor based on sliding mode speed controller
Authors: Jin Wuhen , Jin Shi , Yu Siyang , Wang Hao , Zhang Zhaoyu
Published: September 2024

This paper proposes a maximum torque per ampere (MTPA) control method for a permanent magnet reluctance hybrid rotor dual stator synchronous motor (PMRHRDSSM) based on a sliding mode speed controller, in response to the complex and special electromagnetic relationship of the motor. The paper focuses on the special electromagnetic relationship of PMRHRDSSM with stator winding series structure. Firstly, the trajectory equation of PMRHRDSSM MTPA stator current vector is derived, and based on the relationship between PMRHRDSSM torque and reluctance dq‐axis current, a PMRHRDSSM current controller that meets MTPA constraints is designed. Afterwards, a PMRHRDSSM sliding mode speed controller was designed with input speed error and output reference torque. Finally, an experimental platform for the proposed control method was established, and the control method was experimentally validated.
x2DL: A high throughput architecture for binary‐ring‐learning‐with‐error‐based post quantum cryptography schemes
Authors: Ahmadunnisa Shaik , Mathe Sudha Ellison
Published: September 2024

Lattice‐based cryptography is one of the most promising cryptographic scheme which lies on the hardness of ring‐learning‐with‐error (RLWE). A new variant of RLWE, known as binary‐ring‐learning‐with‐error (BRLWE), has less key size and more efficient hardware implementations compared to RLWE‐based schemes. The key arithmetic operation for BRLWE‐based encryption scheme is the implementation of arithmetic operation represented by , where both and are integer polynomials, and is a binary polynomial. An efficient architecture to perform the arithmetic operation over a polynomial ring is proposed. We employ two linear feedback shift register structures comprising ‐net units in our design to reduce the computational time. This reduction in computational time yields to a significant improvement in the other performance metrics such as delay, area‐delay product (ADP), power‐delay product, throughput and efficiency compared to the existing designs. As per the experimental results, the authors’ proposed design has improvement in ADP when compared to the recently reported work.
Spin states of X-complex asteroids in the inner main belt
Authors: Athanasopoulos D. , Hanuš J. , Avdellidou C. , van Belle G. , Ferrero A. , Bonamico R. , Gazeas K. , Delbo M. , Rivet J. P. , Apostolovska G. , Todorović N. , Novakovic B. , Bebekovska E. V. , Romanyuk Y. , Bolin B. T. , Zhou W. , Agrusa H.
Published: September 2024

Context. Based on the V-shape search method, two families, Athor and Zita, have been identified within the X-complex population of asteroids located in the inner main belt. The Athor family is ~3 Gyr old while the Zita family could be as old as the Solar System. Both families were found to be capable of delivering near-Earth asteroids (NEAs). Moreover, the Athor family was linked to the low-iron enstatite (EL) meteorites.

Aims. The aim of our study is to characterise the spin states of the members of the Athor and Zita collisional families and test whether these members have a spin distribution consistent with a common origin from the break up of their respective family parent asteroids.

Methods. To perform this test, our method is based on the well-established asteroid family evolution, which indicates that there should be a statistical predominance of retrograde-rotating asteroids on the inward side of family’s V-shape, and prograde-rotating asteroids on the outward side of family’s V-shape. To implement the method, we used photometric data from our campaign and the literature in order to reveal the spin states, and hence their rotation sense (prograde or retrograde), of the asteroids belonging to these families. We combined dense and sparse-in-time photometric data in order to construct asteroid rotational light curves; we performed the light curve inversion method to estimate the sidereal period and 3D convex shape along with the spin axis orientation in space of several family member asteroids.

Results. We obtained 34 new asteroid models for Athor family members and 17 for Zita family members. Along with the literature and revised models, the Athor family contains 60% (72% considering only the family’s core) of retrograde asteroids on the inward side and, conversely, 76% (77% considering only the family’s core) of prograde asteroids on the outward side. We also found that the Zita family exhibits 80% of retrograde asteroids on the inward side. In addition, the Zita family presents an equal amount of prograde and retrograde rotators (50% each) on the outward side. However, when we applied Kernel density estimation (KDE), we also found a clear peak for prograde asteroids on the outward side, as expected from the theory.

Conclusions. The spin states of these asteroids validate the existence of both families, with the Athor family exhibiting a stronger signature for the presence of retrograde-rotating and prograde-rotating asteroids on the inner and outer side of the family, respectively. Our work provides an independent confirmation and characterisation of these very old families, whose presence and characteristics offer constraints for theories and models of the Solar System’s evolution.
Micro-power design of a fully autonomous energy harvesting circuit for arrays of piezoelectric transducers
Authors: Sivanantham A. , Devaraj J. , Vengala Shravan Kumar , Abbas Haider M. , Lalitha Y. Sri
Published: September 2024

Piezoelectric energy harvesting is a promising technology due to its ability to convert vibrations into electricity with a simple design and adaptable sizing. This technology allows us to capture energy from everyday movements and power devices. The size of the harvester significantly impacts its weight, how it’s made, the amount of power it generates, and where it can be used.While a single piezoelectric element can harvest energy, an array of them combined with a vibration source can produce more power. However, the material properties of commonly used piezoelectrics, like Lead Zirconate Titanate (PZT), can limit efficiency. To improve this, additional circuits with rectifier bridges and capacitors are used.