bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure–Activity Relationships in Oxygen Electrocatalysis
Authors: Han Jingyi , Sun Jingru , Chen Siyu , Zhang Siying , Qi Luoluo , Husile Anaer , Guan Jingqi 
Published: September 2024

AbstractOxygen electrocatalysis, as the pivotal circle of many green energy technologies, sets off a worldwide research boom in full swing, while its large kinetic obstacles require remarkable catalysts to break through. Here, based on summarizing reaction mechanisms and in situ characterizations, the structure–activity relationships of oxygen electrocatalysts are emphatically overviewed, including the influence of geometric morphology and chemical structures on the electrocatalytic performances. Subsequently, experimental/theoretical research is combined with device applications to comprehensively summarize the cutting‐edge oxygen electrocatalysts according to various material categories. Finally, future challenges are forecasted from the perspective of catalyst development and device applications, favoring researchers to promote the industrialization of oxygen electrocatalysis at an early date.
Supramolecular Architectures of Dendritic Polymers Provide Irreversible Inhibitor to Block Viral Infection
Authors: Mohammadifar Ehsan , Gasbarri Matteo , Dimde Mathias , Nie Chuanxiong , Wang Heyun , Povolotsky Tatyana L. , Kerkhoff Yannic , Desmecht Daniel , Prevost Sylvain , Zemb Thomas , Ludwig Kai , Stellacci Francesco , Haag Rainer 
Published: September 2024

AbstractIn Nature, most known objects can perform their functions only when in supramolecular self‐assembled from, e.g. protein complexes and cell membranes. Here, a dendritic polymer is presented that inhibits severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) with an irreversible (virucidal) mechanism only when self‐assembled into a Two‐dimmensional supramolecular polymer (2D‐SupraPol). Monomeric analogs of the dendritic polymer can only inhibit SARS‐CoV‐2 reversibly, thus allowing for the virus to regain infectivity after dilution. Upon assembly, 2D‐SupraPol shows a remarkable half‐inhibitory concentration (IC50 30 nM) in vitro and in vivo in a Syrian Hamster model has a good efficacy. Using cryo‐TEM, it is shown that the 2D‐SupraPol has a controllable lateral size that can be tuned by adjusting the pH and use small angle X‐ray and neutron scattering to unveil the architecture of the supramolecular assembly. This functional 2D‐SupraPol, and its supramolecular architecture are proposed, as a prophylaxis nasal spray to inhibit the virus interaction with the respiratory tract.
An Ultrastable Aqueous Ammonium‐Ion Battery Using a Covalent Organic Framework Anode
Authors: Tian Zhengnan , Kale Vinayak S. , Thomas Simil , Kandambeth Sharath , Nadinov Issatay , Wang Yizhou , Wahyudi Wandi , Lei Yongjiu , Emwas Abdul‐Hamid , Bonneau Mickaele , Shekhah Osama , Bakr Osman M. , Mohammed Omar F. , Eddaoudi Mohamed , Alshareef Husam N. 
Published: September 2024

AbstractAqueous ammonium ion batteries have garnered significant research interest due to their safety and sustainability advantages. However, the development of reliable ammonium‐based full batteries with consistent electrochemical performance, particularly in terms of cycling stability, remains challenging. A primary issue stems from the lack of suitable anode materials, as the relatively large NH4+ ions can cause structural damage and material dissolution during battery operation. To address this challenge, an Aza‐based covalent organic framework (COF) material is introduced as an anode for aqueous ammonium ion batteries. This material exhibits superior ammonium storage capabilities compared to existing anode materials. It operates effectively within a negative potential range of 0.3 to‒1.0 V versus SCE, achieves high capacity even at elevated current densities (≈74 mAh g−1 at 10 A g−1), and demonstrates exceptional stability, retaining a capacity over 20 000 cycles at 1.0 A g−1. Furthermore, by pairing this COF anode with a Prussian blue cathode, an ammonium rocking‐chair full battery is developedd that maintains 89% capacity over 20 000 cycles at 1.0 A g−1, surpassing all previously reported ammonium ion full batteries. This study offers insights for the design of future anodes for ammonium ion batteries and holds promise for high‐energy storage solutions.
Parallel Concentric Wrinkled Polydimethylsiloxane Patterns and Their Potential Biomedical Applications
Authors: Kim Tai‐Yong , Kim Hyun Jung , Lim Min‐Cheol , Kim Young‐Rok 
Published: September 2024

AbstractThe objective of this study is to examine microbial behavior by fabricating and applying parallel concentric wrinkled patterns to polydimethylsiloxane (PDMS) substrates. The patterns are generated and subsequently relaxed in a rigid silica layer, resulting in the formation of discernible wrinkles that can be analyzed using electron microscopy and light diffraction. The alignment of E. coli and silica microparticles is facilitated by these structures along the creases. Within these creases, E. coli exhibits enhanced attachment and rotational mobility in regions characterized by hydrophobic cracks. Furthermore, the bacteria demonstrate an increase in velocity when propelled by the PDMS creases, suggesting that these structures are capable of guiding microbial motion. In addition, distinct alignment and growth patterns are observed for E. coli proliferation within the PDMS microchannels under confined conditions. The analysis of bacterial morphology and gene expression in response to chemical stimuli, such as isopropyl‐β‐D‐thiogalactopyranoside (IPTG) gradients, demonstrates that the chemical environment has a substantial impact; filamentous cells aligned along the creases. These results illustrate the efficacy of parallel concentric wrinkled PDMS patterns in establishing regulated conditions for investigating microbial behavior and represent significant contributions to the fields of microbiology and biomedicine.
Temperature‐Dependent Reversible Afterglow Between Green, Orange, and Red in Dual‐Delay Organic Doped Material
Authors: Chen Jianai , Liu Jin , Zeng Liang , Dong Guangsheng , Guo Xiaosong , Sun Mingjiao , Liu Haichao , Dong Yujie , Zhang Cheng , Li Weijun 
Published: September 2024

AbstractAchieving a wide‐range color‐tunable and dynamically long‐afterglow emission in a single‐doped system remains a challenge. In this study, a unique host‐guest doped material, TPA‐PTPQ/TPA, exhibits dual‐delay emission at 516 and 605 nm, both with long lifetimes of up to 108 and 145 ms, which derives from thermally activated delayed fluorescence (TADF) and room temperature phosphorescence (RTP) mechanisms, respectively. Notably, this host‐guest material demonstrates a temperature‐dependent dynamically reversible afterglow characteristic, transitioning green, orange, and red with a substantial spectra shift of ≈90 nm under different temperature conditions. This phenomenon is due to the diverse temperature effect on TADF and RTP emissions. These remarkable luminescence properties are successfully applied in security checks and anti‐counterfeiting encryption. This study provides valuable insights into the design of dynamically reversible dual‐delay‐emissive long‐afterglow luminescent materials based on a host‐guest doping system.
Multipurpose Fluorescent Nanocarriers: Environmental Behavior, Toxicity and Internalization on Marine Microalgae
Authors: Campos Bruno G. , Kaczerewska Olga , Oliveira Jacinta M. M. , Figueiredo Joana , Maia Frederico , Tedim João , Sousa Isabel , Abessa Denis M. S. , Loureiro Susana , Martins Roberto 
Published: September 2024

AbstractEngineered nanomaterials (ENMs), such as silica mesoporous nanocapsules (SiNC), have emerged as a powerful tool for the controlled delivery and release of active compounds in various fields. However, the environmental impact of SiNC on marine biota, particularly when they enter the marine environment through wastewater effluents or direct release from maritime coatings, remains poorly understood. Studying their effects is thus crucial for environmental and human health protection, the development of safe‐by‐design ENMs, and informed policy‐making. This study aims to assess the ecotoxicological effects and internalization of industrially‐relevant SiNC in marine phytoplankton, namely on the microalgae Tetraselmis chuii, Nannochloropsis gaditana, and Isochrysis galbana, and diatoms Phaeodactylum tricornutum, and Chaetoceros calcitrans. For this purpose, a fluorescent nanocarrier (SiNC‐UMB) is developed by labeling the SiNC with the fluorescent natural dye umbelliferone (UMB). UV–vis and fluorescence spectroscopic analyses confirmed the successful loading of UMB into SiNC. Phytoplankton can internalize these ENMs, even at low concentrations, although adsorption to the cell wall can also occur. This confirms the internal exposure and growth inhibition observed in the microalgae. These findings highlight the potential of using SiNC‐UMB as a valuable tool for tracking their uptake and assessing their effects on marine biota and beyond.
Highly Stable Sodium Metal Batteries Enabled by Manipulating the Fluorinated Organic Components of Solid‐Electrolyte‐Interphase
Authors: Wang Chaozhi , Dai Shuqi , Wu Kaihang , Liu Shuchang , Cui Jingqin , Shi Yu , Cao Xinrui , Wei Qiulong , Fang Xiaoliang , Zheng Nanfeng 
Published: September 2024

AbstractNa metal batteries (NMBs) stand at the forefront of advancing energy storage technologies, but are severely hampered by Na dendrite issues, especially when using carbonate electrolytes. Suppressing the growth of Na dendrites through constructing NaF‐rich solid‐electrolyte‐interphase (SEI) is a commonly‐used strategy to prolong the lifespan of NMBs. In contrast, fluorinated organic SEI components are often underutilized. Inspired by unveiling the adsorption configuration of fluorinated organic compounds on the surface of Na metal, an optimized SEI architecture for stabilizing NMBs is proposed by investigating the C4H9SO2F‐/C4F9SO2F‐treated Na metal anodes. It is revealed that the SEI built on a fluorinated inorganic/organic hybrid layer exhibit favorable Na passivation capability, significantly improving Na deposition behavior. As a result, the NMB with a high‐loading cathode (15 mg cm−2) and a negative/positive capacity ratio (N/P) ratio of 4 shows a long‐term life span over 1000 cycles with 92.8% capacity retention at 2 C. This work opens a new pathway for developing robust and high‐energy‐density NMBs.
Enhancing HER catalyst screening of modified MXenes through DFT and machine learning integration
Authors: Xu Hui , Lv Wenhao , Yang Shaojie , Yang Shuna , Liu Yawei , Huo Feng 
Published: September 2024

AbstractMXenes doped with non‐metallic and transition metal elements exhibit remarkable potential as catalysts in the hydrogen energy. Nonetheless, efficiently identifying viable materials from a vast array of candidates remains a formidable challenge. Here, we conducted density functional theory (DFT) calculations to obtain the hydrogen adsorption free energy () of 78 types of doped TiVCO2 MXene catalysts. Then we employed machine learning models to categorize the values of the 78 catalysts, resulted in an accurate model which only uses 7 readily available elemental features but has an impressive accuracy of 93.6%. Our model successfully predicting 5 TiVCO2 catalysts doped with S with superior performance, subsequently validated through DFT calculations. This classification methodology not only evaluates the range of effectively but also facilitates qualitative prediction and screening of catalysts, presenting a novel approach for catalytic systems with limited available data.
Clay Nanosheet‐Based Nanocomposite Supramolecular Hydrogel Enabling Rapid, Reversible Phase Transition Only with Visible Light
Authors: Fu Ye , Okuro Kou , Ding Jiandong , Aida Takuzo 
Published: September 2024

AbstractHigh mechanical properties and rapid sol/gel phase transition are mutually exclusive in the hydrogels reported to date, most likely because the 3D crosslinked networks of mechanically robust hydrogels comprise bundled thick fibers that are not rapidly dissociable or formable. Herein, we report a visible light‐responsive hydrogel that showed a rapid, reversible sol/gel phase transition despite its relatively high mechanical properties (storage modulus ~103 Pa). To construct its 3D crosslinked network, we used a design strategy analogous to that employed for our highly water‐rich yet mechanically robust nanocomposite supramolecular hydrogel (“aqua material”). In this case, multiple poly(ethylene glycol) chains carrying ortho‐tetramethoxyazobenzene termini (AzoPEG) were noncovalently crosslinked by clay nanosheets (CNSs) with surface‐immobilized β‐cyclodextrin units using their seven guanidinium ion (Gu+) pendants (GuCD) via a multivalent salt‐bridge. When exposed to visible light at 625 and 450 nm, the azobenzene termini isomerized from trans‐to‐cis and cis‐to‐trans, respectively, and were detached from and attached to the surface‐immobilized GuCD units. The advantage of this CNS‐based nanocomposite supramolecular system is its simple 3D network structure, which forms and breaks rapidly without slow chain entangling and disentangling processes.
Site‐selective Photoredox‐Catalyzed Late‐stage Benzylic Hydrogen Isotope Exchange
Authors: Stinglhamer Martin , Kuhlmann Jan Hendrik , Martinelli Elisa , Perulli Stefania , Sandvoss Martin , Mück‐Lichtenfeld Christian , Derdau Volker , García Mancheño Olga 
Published: September 2024

AbstractA highly regioselective visible light photoredox‐catalyzed hydrogen isotope exchange (HIE) of benzylic positions in both simple and complex molecules is reported. The process follows a dual catalytic approach using an acridinium photocatalyst in combination with a thiol‐based hydrogen atom transfer catalyst, while the use of D2O as an isotope source ensures operational simplicity and cost‐effectiveness. High reactivity has been achieved for electron‐rich benzylic positions. Moreover, targeted radical formation enables unprecedented selective HIE on intramolecular competing benzylic and alpha to heteroatom positions with moderate to excellent deuterium incorporation. The utility of the reaction was demonstrated on the late‐stage HIE of several natural compounds and drug derivatives. Experimental studies and density functional theory (DFT) calculations suggested a single electron transfer (SET) mechanism followed by deprotonation to generate the benzylic radical, and revealed the importance of halogenated solvents or additives. Upon a weak complexation of the halogenated species to the substrate, an oxidation potential lowering effect is induced, as well as a stabilization of the radical‐cation species through spin delocalization.
Cu−Bi Bimetallic Catalysts Derived from Metal–Organic Framework Arrays on Copper Foam for Efficient Glycine Electrosynthesis
Authors: Liao Peisen , Zeng Binning , Li Suisheng , Zhang Yuhao , Xiang Runan , Kang Jiawei , Liu Qinghua , Li Guangqin 
Published: September 2024

AbstractGlycine as one of the most abundant amino acids in human proteins, with extensive applications in both life and industry, is conventionally synthesized through complex procedures or toxic feedstocks. In this study, we present a facile and benign electrochemical pathway for synthesis of glycine through reductive coupling of glyoxylic acid and nitrate over a copper‐bismuth bimetal catalyst derived from a metal–organic framework (MOF) array on copper foam (Cu/Bi−C@CF). Remarkably, Cu/Bi−C@CF achieves a fantastic selectivity of 89 %, corresponding a high Faraday efficiency of 65.9 %. From control experiments, the introduction of Bi caused the binding energy of Cu shift to a lower state, which leads to a high selectivity towards the formation of key intermediate hydroxylamine rather than ammonia product, facilitating the formation of oxime and providing additional sites for subsequent hydrogenation reaction on the way to glycine. Moreover, the derivation of MOF arrays ensures the effective dispersion of Bi and enhances the stability of Cu/Bi−C@CF. This innovative approach not only presents sustainable pathways for the production of value‐added organonitrogen compounds utilizing readily available carbon and nitrogen sources, but also provides novel insights into the design of multistage structural catalysts for sequential reactions.
Design and validation of AQUA CHILD—Pre‐aquatic questionnaire assessing child development
Authors: Frumer Merav Hadar , Napel Huib Ten , Yuste‐Sánchez Maria José , Rodríguez‐Costa Isabel 
Published: September 2024

AbstractPurposeWe developed a proxy questionnaire for parents of children with Developmental Delay (DD) to provide comprehensive information for instructors about the child's functioning before participating in aquatic activities. This dedicated information will enable a high‐quality treatment plan to promote the child's functioning in everyday life.MethodsBased on the International Classification of Functioning, Disability, and Health (ICF) Coreset development and linking rules method, a set of questions was constructed in a preliminary process. A draft version was sent to instructors and parents in Israel. Seventy‐five questionnaires from instructors and 25 from parents returned to the statistical analysis procedure. Reliability and face validity were analyzed by experts.Results and conclusionsThe questionnaire showed high validity and reliability for its purposes and allowed self‐completion by the parents.
Cortical activation during the verbal fluency task for obstructive sleep apnea patients with depressive symptoms: A multi‐channel fNIRS study
Authors: Zhang Xuan , Zhang Ning , Yang Yang , Wang Shuo , Yu Ping , Wang Chun‐Xue 
Published: September 2024

AbstractStudy objectiveThe aim of our study was to elucidate differences in brain activity patterns among obstructive sleep apnea (OSA) patients, OSA patients with depressive symptoms, and healthy controls (HCs). We also investigated the relationship between brain function and depression in OSA patients.MethodsA total of 95 subjects were included in the study, including 34 OSA patients without depressive symptoms, 31 OSA patients with depressive symptoms, and 30 HCs. The 53‐channel functional near‐infrared spectroscopy (fNIRS) was used to monitor the concentration of oxy‐hemoglobin (Oxy‐Hb) in the brain, whereas the participants performed the verbal fluency task, and the degree of depression was scored using the 17‐item Hamilton Rating Scale for Depression (HAMD‐17). Hierarchical regression models were conducted to analyze the association of fNIRS features with depressive symptom.ResultsThe Oxy‐Hb changes of the three groups were significantly different in Channels 25 (H = 9.878, p = .007) and 43 (H = 6.957, p = .031). Inter‐group comparisons showed that the Oxy‐Hb change of Channel 25 (located in the dorsolateral prefrontal cortex [DLPFC]) in OSA group was less than that in HC group (p = .006), and the Oxy‐Hb change of Channel 43 (located in the right frontal polar region) in OSA group with depression was less than that in OSA group (p = .025). Spearman's test showed that there was a significant negative correlation between HAMD‐17 scores and mean Oxy‐Hb changes in Channel 43 (r = −.319, p < .05) in the OSA patients. Using hierarchical regression, Oxy‐Hb changes in Channel 43 accounted for a significant proportion of the variation in outcome variables, even when accounting for other polysomnography features.Conclusions:Changes in the hemodynamic response of DLPFC may be a potential mechanism of executive dysfunction in OSA patients. And the right frontal polar region may be significant in assessing depressive symptoms in patients with OSA.
The volumes of amygdala subregions and peripheral programmed cell death protein‐1 levels are associated with cognitive decline in individuals with knee osteoarthritis
Authors: Zeng Peiling , Zhao Baoru , Li Ming , Wang Yajun , Cai Guiyan , Chen Ruilin , Chen Lidian , Liu Jiao 
Published: September 2024

AbstractBackgroundPersistent pain is a prominent symptom of knee osteoarthritis (KOA) and has been associated with cognitive decline in individuals with KOA. The amygdala, a complex structure consisting of nine subnuclei, and programmed cell death protein‐1 (PD‐1) levels play crucial roles in pain regulation and cognitive processing. This study aims to investigate the relationships among amygdala subregion volumes, cognitive function, and PD‐1 levels to elucidate the underlying mechanism of cognitive decline in KOA.MethodsIn this cross‐sectional study, we recruited 36 patients with KOA and 25 age/gender‐matched healthy controls for neuropsychological tests, structural magnetic resonance imaging scanning, and measurement of serum PD‐1 levels. We used the atlas provided by FreeSurfer software to automatically segment the amygdala subnuclei. Subsequently, we compared the volumes of amygdala subregions between groups and explored their correlation with clinical scores and PD‐1 levels.ResultsCompared to healthy controls, individuals with KOA exhibited significantly lower scores on global cognition tasks, such as long‐delay free recall, short‐delay free recall, and immediate recall tasks. Moreover, they displayed decreased volumes in lateral nucleus basal nucleus paralaminar nucleus while showing increased volumes in accessory basal nucleus, central nucleus, medial nucleus, and cortical nucleus. Within the KOA group specifically, paralaminar volume was negatively correlated with immediate recall scores; pain scores were negatively correlated with global cognition; basal volume was negatively correlated with PD‐1 levels.ConclusionOur findings highlight those alterations in amygdala subregion volumes along with changes in serum PD‐1 levels may contribute to observe cognitive decline among individuals suffering from KOA.
Verbal Weight‐Related Abuse and Binge Eating Behavior: The Mediating Role of Attentional Bias to Threat Cues and Difficulties in Emotion Regulation
Authors: Salemi Elnaz , Zahraei Shaghayegh , Dehshiri Gholamreza , Norouzy Abdolreza 
Published: September 2024

ABSTRACTIntroductionPrevious studies investigated the impact of weight‐related abuse (WRA) on eating pathology. However, the circumstances of such an effect are still unclear. Our study aimed to examine the relationship between verbal WRA and binge eating (BE) behavior via attentional bias (AB) to threat cues and difficulties in emotion regulation.MethodWe conducted a parallel mediation model. On the basis of the purposive sampling method, 183 individuals with obesity and overweight (70.5% female and 28.4% male; Meanage = 32.78), from February to June 2019, were recruited from a nutrition clinic in Tehran. The participants completed the BE scale (BES), the weight‐related abuse questionnaire (WRAQ), the difficulties in emotion regulation scale (DERS), and the dot probe task (DPT).ResultsAB to threat cues had a significantly negative association with verbal WRA and BE. Difficulties in emotion regulation showed a significant positive association with verbal WRA and BE. The parallel mediation model showed a direct effect of verbal WRA on BE. Moreover, the bootstrap analysis revealed that difficulties in emotion regulation could mediate the association between verbal WRA and BE.ConclusionsOur findings suggest that experiences of verbal WRA can contribute to cognitive bias to negative emotion, maladaptive emotion regulation strategies, and behavioral problems like BE.