bluuebunny/crossref_metadata_2025 huggingface dataset:
Boosting Lithium Storage Performance of Small‐Molecule Organic Cathodes through Synergistic Molecular Engineering and Nanostructure Design
Authors: Peng Huiling , Han Yu , Zhang Lei , Geng Yaheng , Yu Zehao , Xu Chen , Yuan Yizhi , Zhou Zhiqun , Liang Xiao , Zhu Jian , Zhu Zhiqiang
Published: February 2025

Small‐molecule organic carbonyl compounds (SMOCCs) featuring high theoretical capacities are promising cathodes for lithium‐ion batteries (LIBs), but facing challenges in cycling stability and rate performance owing to their high solubility in organic electrolytes and low conductivity. Herein, we propose a novel architecture wherein nanosized SMOCCs with N‐heterocycle‐extended π‐conjugation are uniformly immobilized on reduced graphene oxide (rGO). This approach leverages the N‐heterocycles to create additional active sites and strengthen π‐π interactions with rGO, while the homogeneous distribution of nanosized SMOCCs on rGO facilitates efficient charge transport and electrolyte infiltration. As a demonstration, we synthesize a composite material using dipyrido[3’,2’:5,6;2′′,3′′:7,8]quinoxalino[2,3‐i]dipyrido[3,2‐a:2’,3’‐c] phenazine‐10,21‐dione (DQDPD) as the active component, which exhibits remarkable electrochemical properties in LIBs, including an ultrahigh capacity of 505 mAh g−1 at 0.2 A g−1, exceptional cycle stability with 82 % capacity retention after 3000 cycles at 5 A g−1, and outstanding rate capability of 290 mAh g−1 at 10 A g−1. Our approach, which integrates molecular engineering and nanostructure design, provides a novel paradigm for simultaneously realizing high capacity, long lifespan, and rapid rate capability in SMOCCs.
Metal Nanoclusters as Highly Efficient, Versatile Type‐II Photoinitiators via Generating Radicals from Non‐Conventional Hydrogen Donors
Authors: Chen Zijie , Tang Jin , Zheng Letian , Ren An , Ma Liang , Li Qi
Published: February 2025

Development of highly efficient photocatalysis or photoinitiation systems that are applicable to various types of illumination source is critical to virtually all the light‐driven applications. Here, we report a generalizable strategy to achieve highly sensitive, versatile photoinitiation systems based on the combination of metal nanoclusters with non‐conventional hydrogen donors (co‐initiators). Discovery of this type‐II photoinitiation pathway in metal nanoclusters not only improves their two‐photon initiation sensitivity by up to three‐orders‐of‐magnitude, it further opens the door for metal nanoclusters to trigger the photopolymerization using the low‐power UV light‐emitting diodes. Different from molecular type‐II photoinitiators, we found that the selection rules of hydrogen donors for metal nanoclusters are largely dependent on their ligand structures. More importantly, using electron paramagnetic resonance and mass spectroscopy, we for the first time demonstrate that the photoexcited metal nanoclusters can function as versatile hydrogen atom abstractors which generate various types of previously unreported thiyl and nitrogen‐centered radicals. This finding indicates the broad opportunity of the future application of metal nanoclusters in light‐driven organic synthesis and radical chemistry.
Selective Hydrodisulfuration of Alkenes with Dithiosulfonate
Authors: Li Wenhao , Wei Haonan , Wang Baoxu , He Xihang , Jiang Yao , Nie Mengna , Yan Hang , Hu Zijing , Gao Qianwen , Qu Shuanglin , Wang Xi
Published: February 2025

In this study, we have discovered the versatility of the dithiosulfonate reagent (ArSO2‐SSR) in transition metal catalyzed selective hydrodisulfuration of unactivated alkenes. The hydrodisulfuration displays a unique Markovnikov selectivity with a Salen‐cobalt complex, while an anti‐Markovnikov selectivity is observed when employing a nickel/bidentate N‐donor ligand. Furthermore, precise control over nickel/ligand enables the successful achievement of remote site‐selective hydrodisulfuration for both internal and terminal alkenes via a chain‐walking process. In these processes, silanes are employed as a hydride source. Mechanistic insights into these innovative catalytic systems are also elucidated. Experimental findings suggest that Markovnikov hydrodisulfuration is likely to proceed through radical substitution on dithiosulfonate reagents, while nickel catalyzed anti‐Markovnikov selectivity and remote site‐selectivity likely occur via the radical addition of the reductively formed dithiosulfonate radical anion ([ArSO2‐SSR]⋅−) to alkyl Ni(II) species (alkyl‐Ni(II)LnX) and subsequent reductive elimination on Ni(III) intermediate (alkyl–Ni(III)Ln(X)‐SSR) as the key steps based on DFT calculation analysis.
Surface‐like NOx Reduction at an Atomically‐Precise Tricopper Cluster
Authors: Beamer Andrew W. , Buss Joshua Alan
Published: February 2025

The combustion of nitrogen‐containing fuels and increasing use of nitrogen‐rich fertilizers is accumulating NOx pollutants in the environment. Copper is an attractive catalyst material for reductive NOx remediation, yet ambiguity persists regarding the elementary bond‐making and bond‐breaking steps occurring at the catalyst interface. Starting from a molecular tricuprous µ3‐oxo complex (1), an unusually reduced and highly reactive surface‐like cluster (2) has been prepared. Characterization data and electronic structure calculations are consistent with 2 featuring σ‐aromaticity that primes the tricopper core for two‐electron chemistry. Cluster 2 mediates catalytic reductive coupling of NO to N2, proceeding through N2O, via sequential oxygen atom transfer steps. Stoichiometric reduction of NO3– and NO2– is also disclosed, mapping the complete denitrification cycle at an atomically‐precise molecular cluster.
Inverse Electron Demand Diels–Alder Reaction on M3N@C80 (M=Lu, Sc): Reactivity and Reversibility Enable Chemical Separation of Metallofullerenes
Authors: Sun Yue , Abella Laura , Emge Thomas J. , Zhu Sheng , Li Yanbang , Ferraro Ian , Li Anyin , Stevenson Steven , Poblet Josep M. , Rodríguez‐Fortea Antonio , Zhang Jianyuan
Published: February 2025

Endohedral metallofullerenes are chemically more inert compared to empty fullerenes, primarily due to their intramolecular electron transfer. In this work, we report an inverse electron demand Diels–Alder (IEDDA) reaction on M3N@C80 (M=Lu, Sc), where they show significantly higher reactivity than empty fullerenes. The molecular structures of the [4+2] cycloadducts were unambiguously characterized. Moreover, the cycloadducts can fully revert to pristine M3N@C80 via retro‐cycloaddition upon thermal treatment. With the unusual reactivity and reversibility, the IEDDA reaction enables an effective separation approach for metallofullerenes from their soot extracts, opening path to efficient and economical scale‐up synthesis of metallofullerenes in laboratory and industrial settings.
On‐Paper Enzyme‐Linked and Metal‐Linked Immunosorbent Assays for Low‐Cost Decentralized Testing of Carcinoembryonic Antigen
Authors: Mermiga Electra , Pagkali Varvara , Soulis Dionysios , Kokkinos Christos , Economou Anastasios
Published: February 2025

This work reports two simplified paper‐based approaches for immunosensing of carcinoembryonic antigen (CEA) in serum. On‐paper enzyme‐linked immunosorbent assay (p‐ELISA) (using enzymatic generation of a colored product) and metal‐linked immunosorbent assay (p‐MeLISA) (using gold nanoparticles (AuNPs) as labels) were implemented using low‐cost diagnostic bio‐conjugated paper mini disks as platforms for the fast colorimetric immunosensing of CEA in human serum. The colour intensity was captured with a commercial scanner and analyzed using an open‐source software. Different parameters of the preparation of the bioconjugated disks and of the immunoassays were studied and, under the selected conditions, LODs of 0.4 ng mL−1 with p‐ELISA and 0.1 ng mL−1 with p‐MeLISA were achieved while recoveries of CEA in serum samples were in the range from 88 to 112 % with coefficient of variation of <12 %. The assay time was 90 s for p‐ELISA and 85 s for p‐MeLISA. The immunoassays exhibited satisfactory selectivity in the presence of other cancer biomarkers and good stability under storage. Thanks to simple and rapid fabrication and modification, simple analysis protocol, affordability (<0.05 € per device), equipment‐free quantification, low sample and reagents requirments, stability and satisfactory analytical characteristics, these approaches are fit‐for‐purpose for assay of CEA in serum at the point‐of care in resource‐limited settings.
Synthesis of Heterometallic Rare Earth‐Zinc Aryloxido Complexes and Their Application in Macrocyclic Lactones Polymerization
Authors: Kowaliński Adrian , Petrus Rafał , Chomiak Katarzyna , Lis Tadeusz
Published: February 2025

A series of heterometallic trinuclear aryloxides, [REZn2(sal‐Me)4Cl3(H2O)] (Hsal‐Me = methyl salicylate; REIII = YIII (3), HoIII (4), ErIII (5)), or hexanuclear aryloxides, [RE2Zn4(μ3‐OH)2(μ‐OMe)2(sal‐Me)6Cl4] (REIII = YIII (6), HoIII (7), ErIII (8)) were synthesized via the reaction of zinc precursors [Zn4(sal‐Me)8] (1) or [Zn4(μ3‐OMe)2(sal‐Me)6] (2) with 2 equiv of rare earth chlorides (RECl3). The catalytic activity of complexes 1–8 was evaluated in the ring‐opening polymerization (ROP) of pentadecanolide (PDL) and hexadecanolide (HDL) to assess the effect of the initiator structure on the polymerization process and the physicochemical properties of the resulting polyesters. The obtained low molecular weight polypentadecanolides (PPDLs) and polyhexadecanolides (PHDLs) were investigated as modifying agents for commercial polylactide (PLLA) resin and used to prepare PLLA/PPDL or PLLA/PHDL blends.

Blending PLLA with PPDL or PHDL broadens its cold crystallization exotherm, shifts the Tcc to higher temperatures, and hinders the growth of PLLA crystals, ultimately leading to reduced thermostability and faster degradation.
Construction of Type II Bi‐TCPP/Bi2S3 Heterojunction With Oxygen‐Rich Vacancy for Enhanced Photocatalytic Activity
Authors: Yuan Zehua , Tuerhong Munire , Aisikaer Xirenayi , Mamtmin Gulgina
Published: February 2025

The Type II heterojunction, characterized by its favorable band alignment, facilitated efficient charge separation in photocatalysts. Concurrently, oxygen vacancies can enhance light absorption and activated reactants, thereby improving photocatalytic efficiency. This study presented the synthesis of Bi‐TCPP/Bi2S3 heterojunction photocatalysts, which were rich in oxygen vacancies, using a green, one‐pot method. The composite exhibited superior photoelectrochemical and photocatalytic reduction properties, achieving a rate constant of 0.03829 min−1 for Cr(VI) reduction and a remarkable reduction rate of 95.73%. After five cycles, the photocatalytic activity remained above 91.30%, demonstrating excellent stability and efficiency in reducing persistent pollutants. This work introduced a novel strategy for photocatalyst design and made a significant contribution to the fields of environmental remediation and green chemistry.
Effects of Incorporation of Organic Montmorillonite on Improving the Wear Resistance of Nylon 66/Glass Fiber Based Composites and the Mechanisms
Authors: Jiang Feng , Shi Yanqin , Zhang Xutao , Chen Si , Zhou Lihui , Lu Longwei , Lu Jinqiang , Che Shijun , Wang Xu
Published: February 2025

Different content of organic montmorillonite was added into Nylon 66/glass fiber composites to improve the wear resistance of the composites. It found that the wear loss and wear rate of the nylon 66/glass fiber composites with 0.5 wt% organic montmorillonite were only 8.83 mg and 0.52%, reduced by 25.4% and 29.3% compared with the nylon 66/glass fiber composite without organic montmorillonite. Moreover, the friction curves of nylon 66/glass fiber/organic montmorillonite composites with a small coefficient of friction entered the stable friction stage quickly. Especially, the glass fiber in nylon 66/glass fiber/organic montmorillonite composites was arranged more regularly and was worn less as shown in the images of SEM. The wear resistance mechanisms of the nylon 66/glass fiber/organic montmorillonite composites were regarded as that organic montmorillonite with self‐lubricating effect oriented in the nylon 66/glass fiber composites and enhanced the crystallinity of the nylon 66 matrix. Moreover, organic montmorillonite aggregated on the surface of glass fiber due to the hydrogen bonds between organic montmorillonite and glass fiber, resulting in the orientation of glass fiber, the increase of the flowability of the composites, and the decrease of the “floating fiber” problems. Thus, this work revealed that when there were glass fiber and organic montmorillonite in nylon 66, the interaction between glass fiber and organic montmorillonite had an obvious effect on the wear resistance of the composites.
Electrical Manipulation of Intervalley Trions in Twisted MoSe2 Homobilayers at Room Temperature
Authors: Rosa Bárbara L. T. , Junior Paulo E. Faria , Cadore Alisson R. , Yang Yuhui , Koulas‐Simos Aris , Palekar Chirag C. , Tongay Seth Ariel , Fabian Jaroslav , Reitzenstein Stephan
Published: February 2025

The impressive physics and applications of intra‐ and interlayer excitons in a transition metal dichalcogenide twisted‐bilayer make these systems compelling platforms for exploring the manipulation of their optoelectronic properties through electrical fields. This work studies the electrical control of excitonic complexes in twisted MoSe2 homobilayer devices at room temperature. Gate‐dependent micro‐photoluminescence spectroscopy reveals an energy tunability of several meVs originating from the emission of excitonic complexes. Furthermore, this study investigates the twist‐angle dependence of valley properties by fabricating devices with stacking angles of θ ∼ 1°, θ ∼ 4° and θ ∼ 18°. Strengthened by density functional theory calculations, the results suggest that, depending on the twist angle, the conduction band minima and hybridized states at the Q‐point promote the formation of intervalley hybrid trions involving the Q‐and K‐points in the conduction band and the K‐point in the valence band. By revealing the gate control of exciton species in twisted homobilayers, these findings open new avenues for engineering multifunctional optoelectronic devices based on ultrathin semiconducting systems.
A Bright Red Molecular Marker for Super‐Resolution Imaging of DNA Nanoscale Organization in Cells
Authors: Chandra Mondal Iswar , Anjum Farhan , Salam Abdul , Deka Snata , Mandal Sayan , Karmakar Anirban , Kanti Nandi Chayan , Ghosh Subrata
Published: February 2025

SEZ‐NDEA, a long‐range emissive molecular marker, can be used in fluorescence microscopy for super‐resolution imaging (SRRF) of DNA nanoscale organization in cells. The developed probe stains the cell nucleus with minimum cytoplasmic leakage with good contrast. It showed good photostability in cellular medium.
Diverse Fluorescent Probe Concepts for Detection and Monitoring of Reactive Oxygen Species
Authors: Chaturvedi Vineeta , Kumari Ritu , Sharma Prakriti , Pati Avik K.
Published: February 2025

World‐wide research on reactive oxygen species (ROS) continues to reveal new information about the role and impact of ROS on human health and disease. ROS are generated in live cells as a byproduct of aerobic metabolism. Physiological concentrations of cellular ROS are important for signaling and homeostasis, but excessive generation of ROS causes apoptotic and necrotic cell death and various health disorders. Fluorescence technology is a powerful tool to detect, monitor, and image cellular ROS. The present review provides an overview of diverse organic dye‐based fluorescent probe concepts that involve modifications of traditional fluorescent dyes utilizing basic principles of dye chemistry and photophysics. Fluorescence responses of the probes and their specificity towards ROS are discussed through analyses of their photophysical and photochemical parameters. We also provide an outlook on future directions of ROS‐responsive fluorescent dyes, which could enable the design and development of advanced probes for gaining deeper insights into redox biology.
Self‐assembled Supra‐Plate from Gold Nanoparticle with Zn(II) and 1H‐pyrazole‐3,5‐dicarboxylic Acid for Antibacterial Studies
Authors: Sahu Jitendra K. , Adhikary Rajsekhar , Dalal Sancharika , Hazra Saugata , Sadhu Kalyan K.
Published: February 2025

Interactions of aromatic nitrogen and carboxylate group of 1H‐pyrazole‐3,5‐dicarboxylic acid (PDC) with bivalent Zn(II) metal ions and gold nanoparticle (AuNP, average diameter ~16 nm) surface has been targeted in this current study. The time‐dependent absorption and structural analysis experimentally demonstrate the combined role of PDC and metal ion towards the self‐assembly of AuNP. The collective interaction in solution triggers self‐assembly, which results in the synthesis of unique Au/Zn@PDC supra‐plates at room temperature. The Zn(II) induced supra‐plates have been further characterized by X‐ray diffraction (XRD) and X‐ray photoelectron spectroscopy (XPS). The selectivity of the self‐assembly for supra‐plate architectures has been verified with handful of other metal ions such as Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Mg(II) and Pb(II). Among these studied metal ions, Pb(II) only provides the self‐assembled supra‐sphere formation under identical conditions. Pb(II) being a toxic metal ion, antibacterial properties have been explored for Au/Zn@PDC supra‐plates with four significant human pathogens: Methicillin‐resistant Staphylococcus aureus (MRSA) ATCC BAA‐44, Methicillin‐sensitive Staphylococcus aureus (MSSA) S18 (clinical isolate), Klebsiella pneumoniae ATCC BAA‐1706, and Klebsiella pneumoniae MDR 36 (clinical isolate). Compared to the parent constituents, these bacterial cells experience greater damage to the cell wall, when treated with Au/Zn@PDC supra‐plates with a minimum inhibitory concentration (MIC) of 0.2‐0.8 ng/mL.
Bayesian Forecasting of Value‐at‐Risk and Expected Shortfall in Cryptocurrency Markets: A Nonlinear Semi‐Parametric Framework
Authors: Chen Cathy W. S. , Chen Po‐Hui , Hsu Ying‐Lin
Published: February 2025

Cryptocurrencies exhibit high volatility, emphasizing the importance of accurately measuring tail risk in their markets. This research incorporates a threshold‐switching mechanism into Taylor's ES‐CAViaR models that unveil features such as asymmetry and jump phenomena. These enhancements effectively capture the diverse tail risks of cryptocurrencies while enabling the simultaneous forecasting of both Value‐at‐Risk (VaR) and Expected Shortfall (ES). The proposed models incorporate two types of functions to address the VaR and ES nexus with the option to use the rolling standard deviation of returns as a short‐term volatility proxy as a regressor. We estimate the parameters and forecast tail risk within a Bayesian framework. Taking the two largest cryptocurrencies by market capitalization, Bitcoin and Ethereum, we assess the one‐step‐ahead forecasting performance over a four‐year out‐of‐sample period using a rolling window approach. The comparative results from backtests and five scoring functions among eight competing models support the conclusion that models with a threshold mechanism capture the tail risk of cryptocurrencies more accurately than other risk models.
Einfluss des Trainingszeitraums auf die Anomalieerkennung in Monitoringdaten von Brücken
Authors: Wedel Frederik , Marx Steffen
Published: February 2025

Der Erhalt von Brückenbauwerken bei gleichzeitiger Gewährleistung der Sicherheit erhöht die Relevanz automatisierter Monitoringsysteme. Die Regression Based Thermal Response Prediction Method (RBTRPM) aus dem Bereich des maschinellen Lernens ist eine vielversprechender Ansatz zur automatisierten Erkennung struktureller Änderungen. Die auf Grundlage von Temperaturmessungen vorhergesagten Tragwerksreaktionen mithilfe von Machine‐Learning‐Modellen werden dem gemessenen Tragverhalten gegenübergestellt und die Abweichungen erkannt und bewertet. Obwohl die RBTRPM bereits 2014 eingeführt wurde, war die praktische Anwendung bisher begrenzt. In dem Beitrag wird die Anwendung der RBTRPM am Beispiel der Eisenbahnüberführung (EÜ) Itztalbrücke in der Praxis analysiert. Fokus der Untersuchungen sind der Zeitpunkt des Trainings der ML‐Modelle sowie die Länge des Trainingszeitraums. Beide Parameter haben einen signifikanten Einfluss auf die Vorhersagegenauigkeit. Ziel ist es, die Methode möglichst schnell in die Anwendung zu bringen, um strukturelle Anomalien frühzeitig zu erkennen. Bei einem kleinen Zeitraum können die Modelle jedoch u. U. keine hohe Genauigkeit erzielen. Diese Gratwanderung wird untersucht und entsprechende Empfehlungen werden aufgezeigt. Zudem wird festgestellt, dass das Extrapolieren mithilfe solcher Modelle zu ungewünschten Effekten führt. Die Untersuchungen bestätigen die Wirksamkeit der RBTRPM auch in der Praxis, sie erfordert jedoch eine sorgfältige Auswahl der Trainingsparameter.
Investigating the impact of Ras‐related protein RAB7A on colon adenocarcinoma behavior and its clinical significance
Authors: Shan Zhili , Chen Xin , Chen Hong , Zhou Xiaojun
Published: February 2025

The Ras‐related protein RAB7A has been implicated in the development and prognosis of various cancers. This study aims to investigate the prognostic significance of RAB7A in colon adenocarcinoma (COAD). We conducted a retrospective cohort study of COAD cases to assess RAB7A expression and its clinical relevance. The chi‐square test was employed to establish associations between clinical features and RAB7A expression. Survival analyses, including Kaplan–Meier and Cox regression, were employed to evaluate the impact of RAB7A expression and clinical characteristics on COAD patient outcomes. Furthermore, we validated our clinical findings using The Cancer Genome Atlas (TCGA) dataset. To elucidate the tumor‐related role of RAB7A in COAD, we conducted cellular assays and mouse models. Elevated RAB7A expression in COAD tissues exhibited significant associations with tumor size, invasion depth, and lymph node metastasis (all p < 0.05). Univariate and multivariate analyses revealed that high RAB7A expression was significantly correlated with poorer overall survival. In vitro cellular assays, coupled with knockdown strategies, demonstrated that RAB7A promotes COAD tumor proliferation and invasion, a finding further substantiated by in vivo xenograft experiments. RAB7A may serve as a valuable biomarker and potential therapeutic target in the management of COAD.
Conceptual Approach for Aerobic Autotrophic Gas Cultivation in Shake Flasks: Overcoming the Inhibitory Effects of Oxygen in Cupriavidus necator
Authors: Di Bisceglie Federico , García Navarro Javier , Lombard Eric , Kratzer Regina , Kourist Robert , Guillouet Stéphane E.
Published: February 2025

This study conceptualizes the design of a small‐scale system (250 mL–1 L) for the autotrophic cultivation of hydrogen‐oxidizing bacteria, such as the representative strain Cupriavidus necator. The research aimed to systematically investigate the impact of bottle volume and gas composition, particularly oxygen concentration, on the growth and performance of C. necator during autotrophic cultivations. To this end, customized, pressure‐tight, baffled glass bottles of various sizes (250, 500, and 1000 mL) and gas mixtures with varying oxygen concentrations (4%, 8%, and 12% v/v) were tested. Growth was monitored by measuring optical density. The maximum specific growth rate (µmax), the biomass production rate (BPR), the volumetric gas–liquid mass transfer coefficient (kLa), and the oxygen transfer rate were calculated. Among the various combinations, the 1000‐mL bottles demonstrated the highest µmax (0.13 h−1) and the second‐highest BPR (0.074 g L−1 h−1) at an oxygen concentration of 8%, without the need to refill the headspace. The proposed small‐scale system offers a swift and replicable method for concurrently investigating multiple autotrophic cultivations. In this regard, increasing the size of the bottle flask proved to be an efficient strategy to minimize the periodicity for gas refilling. Due to the inhibitory effect of oxygen, changing the liquid–gas volume ratio in hydrogen‐driven shake flask cultivation had so far strongly influenced the growth rate. Our results provide a solid foundation for the scaling and optimization of small‐scale cultivation of chemolithotrophic bacteria and will facilitate future parallelization and, hence, optimization of metabolic aspects.
Population‐Based Norms for the Montreal Cognitive Assessment in Arab Adults
Authors: Amro Iman , Hamadi Aisha M. Al , Salem Alaa A. El , Chivese Tawanda , Wilkins Stacy S. , Khaled Salma M.
Published: February 2025

Objective

The Montreal Cognitive Assessment (MoCA) is a brief screening instrument for detecting mild cognitive dysfunction, a precursor to many cognitive disorders, such as dementia, which have increased in prevalence globally. Qatar, a small high‐income country, has the largest projected increase in dementia of any country in the Middle East. Yet no population‐based norms for cognitive function are available to date.

Methods

As part of the first national cross‐sectional study of mental health, a total of 395 Qatari and non‐Qatari Arabs, 18–74 years of age, were evaluated face‐to‐face using the Arabic version of the original MoCA (version 7.1). We computed raw and demographically (gender, age in years, and four education categories) adjusted scores for the overall MoCA test and six domains (visuospatial, executive function, attention, language, delayed memory, and orientation). The percentile ranking of raw and adjusted normative (z) scores was computed. The 5th percentile ranking was used to derive potential cut‐offs for the overall test and the six related domains.

Results

Female gender, older age, and lower levels of education were associated with poorer overall test scores. The following MoCA overall test and domains cut‐off scores (rounded to the nearest integer) were identified: MoCA (22), visuospatial (2), executive (2.5), attention (4), language (4), and delayed memory (3).

Conclusions

On the basis of our population‐based data, scores below these 5th percentile cut‐offs may warrant further testing and clinical follow‐up for mild cognitive impairment (MCI) in otherwise healthy Arab adults.
The Mediating Role of Financial Reporting Quality in the Relationship Between CEO Power and Carbon Emission Disclosures: Evidence From Vietnamese Companies
Authors: Khuong Nguyen Vinh , Tai Vu Tran Trong , Anh Le Huu Tuan
Published: February 2025

This study investigates the impact of chief executive officer (CEO) power on carbon emission disclosures (CDI) and the mediating role of financial reporting quality (FRQ) in this relationship. We employ the two‐step system generalized method of moments (Sys‐GMM) estimator to examine the relationship between CEO power and CDI and the mediating role of FRQ. We utilize a dataset of Vietnamese listed firms between 2015 and 2022, totalling 494 firm‐year observations. We further perform a battery of robustness tests. We find that CEO power positively influences CDI, indicating that CEOs may enhance transparency to bolster their reputation. However, our results also reveal a negative impact of CEO power on FRQ, supporting the notion that powerful CEOs might prioritize personal interests at the expense of reporting integrity. Additionally, we demonstrate that FRQ mediates the relationship between CEO power and CDI, suggesting that while CEOs promote environmental disclosure' transparency, they may concurrently engage in earnings management practices that diminish FRQ. This research contributes to the literature by providing empirical evidence on the role of CEO power in facilitating both financial and environmental disclosures in an emerging market context. The study highlights the mediating role of FRQ, offering new insights into the governance mechanisms that influence corporate transparency.
School shooting incidents remain high and deadly
Authors: Sutton Halley
Published: February 2025

Gun violence in America was down in 2024, but deaths and injuries incurred during school shootings were up, and incidents of school shootings and mass shootings still remain high, according to a recent report released by Omnilert. Omnilert compiled its annual Gun Violence Statistics for 2024, summarizing gun violence tragedies, and their adverse effects on American life quality and economy.
Novel Multifunctional Aldose Reductase Inhibitors Based on Quinoxalin‐2(1H)‐one Scaffold for Treatment of Diabetic Complications: Design, Synthesis, and Biological Evaluation
Authors: Hao Xin , Wang Xuying , Jiang Qianxi , Zhu Yannan , Zhu Yuqing , Chen Mengmeng , Qi Gang , Zhu Changjin , Han Zhongfei
Published: February 2025

Diabetic complications, such as nephropathy, cataracts, and retinopathy, are the main threat and primary reason for death in diabetic patients. Numerous pieces of evidence demonstrated aldose reductase (ALR2) and oxidative stress are the two most important intervention targets for the treatment of diabetic complications. We designed a new type of multifunctional ALR2 inhibitor (ARI) based on the quinoxalin‐2(1H)‐one scaffold, which combined the inhibition of aldose reductase and direct antioxidation into an organic whole. Most of the compounds 6 showed potent ALR2 inhibition with IC50 values ranging from 0.091 to 10.214 µM, and 2‐(4‐(4‐bromo‐2‐fluorobenzyl)‐2‐oxo‐3,4‐dihydroquinoxalin‐1(2H)‐yl)acetic acid (6g) was the most active. All compounds were slightly active with an aldehyde reductase inhibition percentage of no more than 40.7%, demonstrating good selectivity for ALR2. Further introduction of a phenolic hydroxyl group to obtain compounds (6j–l), (6l) containing phenolic 3,5‐dihydroxyl showed the best antioxidant activity with 2,2‐diphenyl‐1‐picrylhydrazyl radical scavenging 94.62%, 90.21%, and 82.75% at the concentration of 100, 50, and 10 µM, respectively, even as strong as the well‐known antioxidant Trolox. Molecular docking was also consistent with the biological data and explained the ALR2 inhibition and selectivity reasonably. Therefore, these results suggested success in the construction of multifunctional ARIs having potency for ALR2 inhibition and antioxidation.
Onosma rutila (Boraginaceae) Plant Extract: Chemical Composition, Biological Analysis, and Film Forming Potential With Polymers
Authors: Binzet Riza , Binzet Gun , Turunc Ersan , Cevik Pınar Küce , Demir Didem , Arslan Hakan
Published: February 2025

This study aimed to integrate the ethanolic extract obtained from the aerial parts of endemic Onosma rutila as a new bioactive ingredient into polymeric films and to produce biofunctional composite thin films for use in biomedical applications. Initially, the definition of the plant extract was carried out in terms of chemical composition and biological activities. The main component of the extract was revealed as 9,12‐octadecadienoic acid (15.90%). Antimicrobial activity was evaluated against a total of five microorganisms by the well diffusion method and microdilution technique. MIC99 results showed the lowest inhibition against Candida albicans, suggesting a stronger antifungal effect than antibacterial activity. Also, the 2,2‐diphenyl‐1‐picrylhydrazyl scavenging activity of O. rutila, ascorbic acid, and butylated hydroxytoluene at 500 µg/mL showed values ​​of 87.63, 90.13, and 46.82%, respectively. In the next phase, the extract, which was revealed to be an effective biological agent, was incorporated into the polymer solutions prepared based on chitosan and polyvinyl alcohol at different ratios to produce a series of thin films. For application purposes, the thin films' chemical compositions, water retention capacities, and morphological properties were determined and their potential for use as wound dressing material was evaluated.
Mutagenesis to Orient Conjugation and Preserve Self‐adjuvant Properties of Flagellin in Conjugates
Authors: Laneque Laura , Lambert Annie , Cayet Delphine , Gilleron Caroline , Courtois Emmanuelle , Cloteau Chloé , Broussard Cédric , Annic Bastien , Bessonnet Thomas , Camberlein Emilie , Sirard Jean-Claude , Grandjean Cyrille
Published: February 2025

Bacterial flagellins are unique for their capacity to activate both the innate and the adaptive immune response through a Toll‐like receptor 5 (TLR5) signaling cascade. Used as a carrier protein in conjugate vaccines it is crucial to preserve their self‐adjuvant properties during the conjugation step. Considering the absence of cysteine in the Salmonella enterica flagellin FliC sequence, we have investigated the impact of five mutations (A2C, K180C, T240C, D251C and S306C) alone or in combination on TLR5 activation. The FliC mutated at the four positions K180C, T240C, D251C and S306C displayed much the same activity as native flagellin whether the cysteine residues were free or conjugated. These results pave the way for the preparation of self‐adjuvanting conjugate vaccines based on cysteine‐mutated FliC as a carrier protein.
Giardiasis: Report of a Case Refractory to Treatment
Authors: Atnafu Thomas Asfaw , Usman Abdurahim Wereka , Azerefegne Eskedar Ferdu , Shemsu Elham Sany
Published: February 2025

Giardiasis, an intestinal infection caused by Giardia duodenalis, remains a significant global health concern. Although standard treatments such as metronidazole are typically effective, there are increasing reports of treatment resistance, highlighting the need for alternative therapeutic strategies for which established guidelines do not exist. This case report illustrates the challenges in diagnosing and managing treatment‐refractory giardiasis. A 32‐year‐old male presented with chronic symptoms of watery diarrhea, abdominal pain, and significant weight loss, despite multiple rounds of standard therapies, including metronidazole and albendazole. The persistent presence of Giardia lamblia in stool samples despite appropriate treatments, underscores the necessity for clinicians to recognize treatment failures and explore alternative strategies in the absence of standard protocols. This instance, prolonged combination therapy with metronidazole and albendazole proved effective after previous treatment failures, resulting in symptom resolution and negative stool tests. Clinicians should consider treatment‐refractory giardiasis as a differential diagnosis in patients with chronic gastrointestinal complaints and a history of giardiasis treatment, enabling earlier diagnosis and intervention. This case emphasizes the need for ongoing monitoring of treatment‐refractory giardiasis and calls for further study of resistant strains. It also provides an effective approach for managing cases of treatment‐resistant giardiasis.
Association Between Anti‐TIF1‐γ Antibody and Triple‐Negative Breast Carcinoma in Dermatomyositis Patients: A Case Report
Authors: Zhang Fan , Guo Hailing , Ma Jia
Published: February 2025

Dermatomyositis (DM) is always associated with various types of malignancies in previously published reports. Anti‐transcription intermediary factor 1‐γ (anti‐TIF1‐γ) antibody is more prevalent in DM patients with malignancy than in those without malignancy. In this paper, we want to show a possible relation between anti‐TIF1‐γ and triple‐negative breast carcinoma.
Dynamic Dissolution Equilibrium of Ni, Mo, and Fe sites Synergistically Boosts the Oxygen Evolution Reaction
Authors: Jing Changdi , Zhang Shuo , Huang Huabo , Belfiore Laurence A , Jiang Qianqian , Tang Jianguo
Published: February 2025

The construction of heterostructures is one of the commonly used modification methods for electrocatalysts. Therefore, a hybrid synthesis method combining hydrothermal and electrodeposition techniques has been utilized to produce an amorphous bimetallic oxide/hydroxide (NiMoO4/NiFe LDH). The construction of amorphous nature and heterostructure of materials has greatly promoted the catalytic activity. More importantly, XPS analysis indicates that after CV activation, metal atoms undergo electron transfer, greatly promoting charge transfer and the production of oxygen evolution reactions. Therefore, the catalyst exhibits a low overpotential, reaching 10 mA·cm‐2 only at a voltage of 1.45V. Additionally, it has a Tafel slope of 32.35 mV⋅dec−1, indicating excellent reaction kinetics. The design and construction of the catalyst can offer a new strategy for energy conversion and sustainable energy storage.
Boron Catalysis to Expedite the Synthesis of Organic Carbonates from Carbon Dioxide
Authors: Kleij Arjan Willem , Kilic Ahmet , Aytar Emine
Published: February 2025

Global warming and related climate change urgently call for approaches to reduce carbon emissions and simultaneously reuse them as readily available carbon sources. Carbon dioxide (CO2) represents the most familiar one, and conversion of it into useful organic compounds can be both economically and environmentally attractive. To enable these targets, new effective catalysis approaches are warranted allowing for once‐captured CO2 to be transformed. In this context, the synthesis of organic carbonates is a primer example of a nonreductive approximation that has been well‐studied and ‐developed over the last two decades. However, the search for alternative catalytic systems for the conversion of CO2 into
organic carbonates still continues. The primary incentive involves the expansion of the chemical space covered by these compounds, their functionality and applications and the
development of mild and environmentally more attractive catalytic processes. Boron‐catalysis, being essentially metal‐free, offers various advantages being affordable, amenable to design and presenting high‐reactive alternatives for metal‐based catalysts. This review covers the most important advances made with boron‐catalysis in the area of organic carbonate synthesis focusing on their synthesis methods, mode of action and opportunities they provide to create new cyclic and polymeric carbonate structures.
Client perceptions of counselor cognitive complexity
Authors: Gantt‐Howrey Alexandra
Published: February 2025

The present study is a quantitative investigation of clients’ (N = 390) perceptions of their counselors’ cognitive complexity (CC) as measured by the Counselor CC (3C)‐Client Perceptions Scale. Results indicate a significant relationship between perceived CC and client satisfaction. Participants’ perceptions that counselors understood their worldview and formed appropriate goals significantly predicted client satisfaction. Implications for how counselor educators and supervisors may use clients’ perspectives to inform the enhancement of counseling students’ CC conclude.
Improving Vapor Pressure Prediction Through Integration of Multiple Molecular Representations: A Super Learner Approach
Authors: Hyun Nam Ji , Lee Seul , Jo Seongil , Kim Jaeoh , Lee Jooyeon , Koo Jahyun , Lee Byounghwak , Jeong Keunhong , Yu Donghyeon
Published: February 2025

Accurate prediction of vapor pressure is essential in chemical engineering, environmental science, and pharmaceutical development, impacting the volatility and stability of compounds. Traditional methods often fall short for complex and new molecular structures. This study introduces an advanced machine learning approach, integrating graph neural networks (GNNs), and CHEM‐BERT models to improve prediction accuracy. Utilizing the largest dataset to date, we derived comprehensive chemical descriptors and fingerprints. We evaluated 19 predictive models, including ridge regression, random forest, support vector regression, and feed‐forward neural networks, trained on diverse features like PaDEL and Morgan fingerprints, chemical descriptors, and Chem‐BERT embeddings. Central to our methodology is the super learner architecture, which combines 19 multiple models to enhance accuracy. The super learner achieved a root mean squared error (RMSE) of 0.8200, outperforming individual models and previous reports. These successful results highlight the effectiveness of integrating GNNs and Chem‐BERT for capturing detailed molecular information, setting a new benchmark for vapor pressure prediction. This study underscores the value of advanced machine learning techniques and comprehensive datasets, offering a robust tool for researchers and paving the way for future advancements in chemical property prediction.
Progress of Complex System Process Analysis Based on Modern Spectroscopy Combined With Chemometrics
Authors: Li Maogang , Cai Qi , Zhang Tianlong , Tang Hongsheng , Li Hua
Published: February 2025

In recent years, the role of analytical chemistry has undergone a gradual transformation, evolving from a mere participant to a pivotal decision‐maker in process optimisation. This shift can be attributed to the advent of sophisticated analytical instrumentation, which has ushered in a new era of analytical capabilities. This article presents a review of the developments in the application of intelligent analysis techniques, including infrared (IR) spectroscopy, Raman spectroscopy, and laser‐induced breakdown spectroscopy (LIBS), in the processing of complex systems over the past decade. The review provides an introduction to the fundamental principles of these analytical techniques and examines the evolution of their instrumentation to accommodate online process monitoring. The analysis of spectral data in complex system processes represents a fundamental aspect of the attainment of on‐site quality monitoring, process optimisation and control. Accordingly, the review provides a comprehensive overview of the methodologies employed in process chemometrics, encompassing spectral preprocessing, feature selection, modelling techniques, and optimisation strategies for model performance. Furthermore, this article presents a summary of three intelligent spectral analysis tools, namely infrared spectroscopy, Raman spectroscopy, and LIBS, which are widely employed in process simulation, monitoring, optimisation, and control across multiple disciplines, including the environment, energy, biology, and food. The objective of this review is to provide a valuable reference point and guidance for the further promotion and utilisation of spectral intelligent analysis instruments, with the aim of promoting their in‐depth application and development in a greater number of fields.
Identification of Natural Killer Cell Enhancers Through Mimicking of the Tumor Microenvironment
Authors: Binici Aylin , Hennes Elisabeth , Koska Sandra , Niemann Jens Alexander , Reich Alisa , Pfaff Christiane , Sievers Sonja , Kahnt Astrid Stefanie , Thomas Dominique , Ziegler Slava , Watzl Carsten , Waldmann Herbert
Published: February 2025

The tumor microenvironment (TME) is a pro‐cancerous niche harboring immunosuppressive factors that are secreted by cancer cells and the surrounding cancer‐supportive tissue, such as kynurenine, prostaglandin E2 and transforming growth factor β (TGFβ). These factors dampen the activity of cytotoxic lymphocytes like natural killer (NK) cells, allowing evasion of immune cell‐mediated killing. To identify small molecules that counteract the immunosuppressive effect of the TME and restore NK cell‐mediated cytotoxicity, we developed a phenotypic co‐culture assay of cancer cells and primary lymphocytes suitable for medium‐throughput screening. We discovered small molecules that restore NK cell‐mediated cytotoxicity through diverse mechanisms. The potent TGFβ type I receptor (TGFβR‐1) inhibitor, RepSox, stood out as superior to other TGFβR‐1 inhibitors due to its ability to abolish the effects of both inhibitory factors used in our setup. This mode of action goes beyond
TGFβR‐1 inhibition and is related to the simultaneous abrogation of cyclooxygenase 1 (COX1) activity.
Preoxidation Assisted Alkali Activation Constructs Polyacrylonitrile‐Based Porous Carbon for Supercapacitors
Authors: Ma Weijun , Zhu Zejia , Qiu Xuxin , Yan Yaocheng , Zhang Dongdong , Jiang Yongdong
Published: February 2025

The porous structural tailoring of polyacrylonitrile‐based carbon materials is the key to maximize capacitive performance. Herein, hierarchical porous carbons (HPC) with high specific surface area and controllable porosity are synthesized by preoxidation assisted alkali activation strategy using polyacrylonitrile as the precursor. The results show that high preoxidation temperature is beneficial to increase the specific surface area and pore volume of HPC. The optimized HPC‐300 has a high BET specific surface area of 3161 m2 g−1, a micropore volume of 1.45 cm3 g−1, and an AD/AG of 3.56. Electrochemical test shows that the specific capacitances of HPC‐300 in 6 M KOH electrolyte at 1 A g−1 and 10 A g−1 are 314.1 F g−1 and 213.0 F g−1, respectively, with a capacitance retention of 67.8 %. The assembled supercapacitors based on HPC‐300 deliver an energy density of 11.7 Wh kg−1 at a power density of 250.0 W kg−1 in KOH electrolyte and 21.1 Wh kg−1 at 450.0 W kg−1 in Na2SO4 electrolyte and possess a capacitance retention of 98.1 % over 20,000 charge‐discharge cycles. This preoxidation coupled activation method provides a potential strategy for the preparation of PAN‐based porous carbon with high specific surface area and capacitance.
Syntheses of Carbazoles by Photosensitized Electrocyclization of Triarylamines. Effect of Inductive Electron‐Withdrawing Groups on the Photocyclization
Authors: Romero Ivan E. , Vallejos Margarita M. , Barata‐Vallejo Sebastian , Bonesi Sergio M. , Postigo Al
Published: February 2025

The acetone‐sensitized [6π]‐electrocyclization of unsubstituted, mono‐, and disubstituted triarylamines (TAAs: substituents H, CH₃, CH₃O, Cl, CnF₂n+1; n=1, 3, 4, 6, 8, 10) under 310 nm light led to the formation of endo‐ and exo‐carbazoles in high yields; particularly, TAAs substituted with inductive electron‐withdrawing groups (Cl, CnF2n+1) exhibit remarkable endo‐selectivity towards cyclization. For TAAs substituted with both inductive electron‐ withdrawing and donating groups, the photocyclization towards endo carbazoles is dictated by the presence of the electron‐withdrawing groups. Chemical yields (%), quantum yields of conversion (φR), apparent cyclization rate constants (kcyc), and Hammett plots correlations are illustrated for all substituted TAAs in acetone. Photophysical studies reveal that TAAs substituted with resonance electron‐withdrawing groups (OAc, NO2, CHO) do not undergo electrocyclization in acetone at 310 nm due to formation of charge‐transfer states that vastly deactivate the triplet reactive manifold, paralleling the behavior observed in MeCN as solvent. Absorption and emission spectra, Stokes shifts, and singlet excited state energies are illustrated for substituted TAAs and carbazoles. In‐silico studies support the high stereoselectivity observed for the preferred endo‐ photosensitized [6π]‐electrocyclization of Cl‐ and perfluoroalkyl‐substituted TAAs.