bluuebunny/crossref_metadata_2025 huggingface dataset:
Regulating Atomically‐Precise Pt Sites for Boosting Light‐Driven Dry Reforming of Methane
Authors: He Chengxuan , Li Qixin , Ye Zhicheng , Wang Lijie , Gong Yalin , Li Songting , Wu Jiaxin , Lu Zhaojun , Wu Shiqun , Zhang Jinlong
Published: August 2024

Light‐driven dry reforming of methane is a promising and mild route to convert two greenhouse gas into valuable syngas. However, developing facile strategy to atomically‐precise regulate the active sites and realize balanced and stable syngas production is still challenging. Herein, we developed a spatial confinement approach to precisely control over platinum species on TiO2 surfaces, from single atoms to nanoclusters. The configuration comprising single atoms and sub‐nanoclusters engenders pronounced electronic metal‐support interactions, with resultant interfacial states prompting surface charge rearrangement. The unique geometric and electronic properties of these atom‐cluster assemblies facilitate effective activation of CH4 and CO2, accelerating intermediate coupling and minimizing side reactions. Our catalyst exhibits an outstanding syngas generation rate of 34.41 mol gPt−1 h−1 with superior durability, displaying high apparent quantum yield of 9.1 % at 365 nm and turnover frequency of 1289 h−1. This work provides insightful understanding for exploring more multi‐molecule systems at an atomic scale.
Ligand‐Enabled Gold‐Catalyzed Cyanation of Organohalides
Authors: Kumar Anil , Bhattacharya Nandita , Mane Manoj V. , Patil Nitin T.
Published: August 2024

Herein, we disclose the first report on gold‐catalyzed C(sp2)‐CN cross‐coupling reaction by employing a ligand‐enabled Au(I)/Au(III) redox catalysis. This transformation utilizes acetone cyanohydrin as a nucleophilic cyanide source to convert simple aryl and alkenyl iodides into the corresponding nitriles. Combined experimental and computational studies highlighted the crucial role of cationic silver salts in activating the stable (P,N)‐AuCN complex towards the oxidative addition of aryl iodides to subsequently generate key aryl‐Au(III) cyanide complexes.
Nickel‐Catalyzed α‐selective Hydroalkylation of Vinylarenes
Authors: Wang Jia‐Wang , Zhu Qing‐Wei , Liu Deguang , Chen Pei‐Wen , Chen Hong‐Zhong , Lu Xi , Fu Yao
Published: August 2024

C(sp3) centers adjacent to (hetero) aryl groups are widely present in physiologically active molecules. Metal‐hydride‐catalyzed hydroalkylation of alkenes represents an efficient means of forging C(sp3)−C(sp3) bonds, boasting advantages as a wide source of substrates, mild reaction conditions, and facile selectivity manipulation. Nevertheless, the hydroalkylation of vinylarenes encounters constraints in terms of substrate scope, necessitating the employment of activated alkyl halides or alkenes containing chelating groups, remains a challenge. In this context, we report a general nickel‐hydride‐catalyzed hydroalkylation protocol for vinylarenes. Remarkably, this system enables α‐selective hydroalkylation of both aryl and heteroaryl alkenes under an extra ligand‐free condition, demonstrating excellent coupling efficiency and selectivity. Furthermore, through the incorporation of chiral bisoxazoline ligands, we have achieved regio‐ and enantioselective hydroalkylation of vinylpyrroles, thereby facilitating the synthesis of α‐branched alkylated pyrrole derivatives.
Screening Strategy Identifies an Overlooked Deep‐Ultraviolet Transparent Nonlinear Optical Crystal
Authors: Zhang Jia‐Xiang , Yue Qing‐Gang , Zhou Sheng‐Hua , Wu Xin‐Tao , Lin Hua , Zhu Qi‐Long
Published: August 2024

In the deep‐ultraviolet (DUV) region, nonlinear optical (NLO) crystals must meet stringent requirements, including a large optical band gap and sufficient second harmonic generation (SHG) response. Typically, these criteria are fulfilled by borates, carbonates and nitrates containing π‐conjugated groups. In contrast, sulfates and phosphates, with polarizabilities significantly smaller than those of π‐conjugated groups, struggle to achieve similar performance. Here, we present the discovery of Mg2PO4Cl, a magnesium‐based phosphate, identified from over 10,000 phosphates based on a polar‐axial‐symmetry screening strategy, which exhibits the highest SHG response (5.2×KH2PO4 (KDP)) with phase‐matching ability among non‐π‐conjugated DUV transparent NLO crystals. This compound belongs to the Pna21 space group, with [PO4] units consistently aligned along the 21 screw axis and glide planes throughout its crystal structure. Theoretical calculations attribute its remarkable SHG effect to the orderly arrangement of heteroanionic [MgO5Cl] and [MgO4Cl2] polyhedra alongside isolated [PO4] tetrahedra, supported by Berry phase analysis. Furthermore, a crystallographic structure analysis of phosphates and sulfates with significant SHG effects validates the effectiveness of our screening strategy. These findings offer valuable insights into the origins of NLO effects in non‐π‐conjugated compounds from both a material design and structural chemistry perspective, inspiring future efforts to revitalize DUV phosphates.
Accessing Therapeutically‐Relevant Multifunctional Antisense Oligonucleotide Conjugates Using Native Chemical Ligation
Authors: Engelhardt Daniel , Nordberg Peter , Knerr Laurent , Malins Lara R.
Published: August 2024

Antisense oligonucleotide (ASO) therapies hold significant promise in the realm of molecular medicine. By precisely targeting RNA molecules, ASOs offer an approach to modulate gene expression and protein production, making them valuable tools for treating a wide range of genetic and acquired diseases. As the precise intracellular targeting and delivery of ASOs is challenging, strategies for preparing ASO‐ligand conjugates are in exceedingly high demand. This work leverages the utility of native chemical ligation to conjugate ASOs with therapeutically relevant chemical modifications including locked nucleic acids and phosphorothioate backbone modifications to peptides and sugars via a stable amide linkage. A suite of post‐ligation functionalizations through modification of the cysteine ligation handle are highlighted, including chemoselective radical desulfurization, lipidation, and alkylation with a range of valuable handles (e.g. alkyne, biotin, and radionuclide chelating ligands), affording multifunctional constructs for further applications in biology and medicine. Application of the methodology to a clinically‐relevant triantennary‐GalNAc ASO conjugate and validation of its binding and functional activity underpins the applicability of the technique to oligonucleotide‐based therapeutics.
Accelerated First‐Principles Exploration of Structure and Reactivity in Graphene Oxide
Authors: El‐Machachi Zakariya , Frantzov Damyan , Nijamudheen A. , Zarrouk Tigany , Caro Miguel A. , Deringer Volker L.
Published: August 2024

Graphene oxide (GO) materials are widely studied, and yet their atomic‐scale structures remain to be fully understood. Here we show that the chemical and configurational space of GO can be rapidly explored by advanced machine‐learning methods, combining on‐the‐fly acceleration for first‐principles molecular dynamics with message‐passing neural‐network potentials. The first step allows for the rapid sampling of chemical structures with very little prior knowledge required; the second step affords state‐of‐the‐art accuracy and predictive power. We apply the method to the thermal reduction of GO, which we describe in a realistic (ten‐nanometre scale) structural model. Our simulations are consistent with recent experimental findings, including X‐ray photoelectron spectroscopy (XPS), and help to rationalise them in atomistic and mechanistic detail. More generally, our work provides a platform for routine, accurate, and predictive simulations of diverse carbonaceous materials.
Unraveling the Anionic Redox Chemistry in Aqueous Zinc‐MnO2 Batteries
Authors: Wang Tianhao , Jin Junteng , Zhao Xudong , Qu Xuanhui , Jiao Lifang , Liu Yongchang
Published: August 2024

Activating anionic redox reaction (ARR) has attracted a great interest in Li/Na‐ion batteries owing to the fascinating extra‐capacity at high operating voltages. However, ARR has rarely been reported in aqueous zinc‐ion batteries (AZIBs) and its possibility in the popular MnO2‐based cathodes has not been explored. Herein, the novel manganese deficient MnO2 micro‐nano spheres with interlayer “Ca2+‐pillars” (CaMnO‐140) are prepared via a low‐temperature (140 °C) hydrothermal method, where the Mn vacancies can trigger ARR by creating non‐bonding O 2p states, the pre‐intercalated Ca2+ can reinforce the layered structure and suppress the lattice oxygen release by forming Ca−O configurations. The tailored CaMnO‐140 cathode demonstrates an unprecedentedly high rate capability (485.4 mAh g−1 at 0.1 A g−1 with 154.5 mAh g−1 at 10 A g−1) and a marvelous long‐term cycling durability (90.6 % capacity retention over 5000 cycles) in AZIBs. The reversible oxygen redox chemistry accompanied by CF3SO3− (from the electrolyte) uptake/release, and the manganese redox accompanied by H+/Zn2+ co‐insertion/extraction, are elucidated by advanced synchrotron characterizations and theoretical computations. Finally, pouch‐type CaMnO‐140//Zn batteries manifest bright application prospects with high energy, long life, wide‐temperature adaptability, and high operating safety. This study provides new perspectives for developing high‐energy cathodes for AZIBs by initiating anionic redox chemistry.
Enhanced Catalytic Performance of Palladium‐Based Catalysts Modified With the Dibenzofuran Ligand for Acetylene Hydrochlorination
Authors: Ali Shahid , Wang Lu , Yan Haijun , Yang Chao , Wang Jide , Sun Hui , Li Xiaofei , Wu Ronglan , Liang Changhai
Published: August 2024

A new palladium‐based catalyst system modified with dibenzofuran (DBF) was developed for acetylene hydrochlorination. The optimal Pd‐DBF/SAC catalyst with the 0.5 wt% Pd loading and the 15 wt% DBF loading exhibits an elevated performance of 99.9% acetylene conversion and 99.9% vinyl chloride selectivity for more than 400 h. Characterization analysis and density functional theory (DFT) simulations revealed that the presence of oxygen‐containing DBF species of the Pd‐DBF/SAC catalyst prevents the reduction and loss of Pd species, inhibits the carbon deposition and enhances the HCl adsorbability, resulting in superior catalytic activity and stability for acetylene hydrochlorination.
Industrial process fault detection based on dynamic kernel principal component analysis combined with weighted structural difference
Authors: Zhang Cheng , Yan Feng , Deng Chenglong , Li Yuan
Published: August 2024

The practical application of traditional data‐driven techniques for process monitoring encounters significant challenges due to the inherent nonlinear and dynamic nature of most industrial processes. Aiming at the problem of nonlinear dynamic process monitoring, a novel fault detection method based on dynamic kernel principal component analysis combined with weighted structural difference (DKPCA‐WSD) is proposed in this paper. Initially, the proposed method leverages a sophisticated nonlinear transformation to project the augmented matrix of the original input data into a high‐dimensional feature space, thereby facilitating the establishment of a DKPCA model. Subsequently, the WSD statistic is computed, utilizing a widely known sliding window technique, to quantify the mean and standard deviation differences across data structures. Ultimately, the WSD statistic is utilized for fault detection, completing the process monitoring task. By integrating the capability of DKPCA to capture nonlinear dynamic characteristics with the effectiveness of the WSD statistic in mitigating the impact of non‐Gaussian data distributions, DKPCA‐WSD significantly enhances the monitoring performance of traditional DKPCA in nonlinear dynamic processes. The proposed method is evaluated through a numerical case exhibiting nonlinear dynamic behaviors and a simulation model of a continuous stirred tank reactor. A comparative analysis with conventional methods, including principal component analysis (PCA), dynamic principal component analysis, KPCA, PCA similarity factor (SPCA), DKPCA, and moving window KPCA (MWKPCA), demonstrates that DKPCA‐WSD outperforms traditional fault detection techniques in nonlinear dynamic processes, offering a substantial improvement in monitoring performance.
Finite Size Effects in Antiferromagnetic Highly Strained BiFeO3 Multiferroic Films
Authors: Sando Daniel , Appert Florian , Paull Oliver , Yasui Shintaro , Bessas Dimitrios , Findiki Abdeslem , Carrétéro Cécile , Garcia Vincent , Dkhil Brahim , Barthelemy Agnès , Bibes Manuel , Juraszek Jean , Valanoor Nagarajan
Published: August 2024

Epitaxially strain‐engineered tetragonal (T)‐like BiFeO3 (BFO) is a multiferroic material with unique crystallographic and physical properties compared to its bulk rhombohedral parent. While the effect of this structural change on ferroelectric properties is understood, the influence on correlated antiferromagnetic (AFM) properties, especially with reduced film thickness, is less clear. Here, the AFM behavior of T‐like BFO films 9–58 nm thick on LaAlO3 (001) substrates fabricated by pulsed laser deposition was studied using conversion electron Mössbauer spectroscopy and X‐ray diffraction. The key findings include: i) Ultrathin T‐like BFO films (<10 nm) show a decoupling of magnetic and structural transitions, with the polar vector tilted 32 degrees from [001] in 9–13 nm films. ii) Films thinner than 13 nm exhibit no structural transition down to 150 K, with a Néel (TN) transition at ≈290 K, ≈35 K lower than thicker films. Interestingly, the TN scaling with thickness suggests realistic scaling exponents considering a critical correlation length for C‐type AFM order, rather than G‐type. The results show that finite size effects can tailor transition temperatures and modulate AFM wave modes in antiferromagnetic oxides, with implications for AFM spintronics for future information technologies.
Meridional shift of climatological tropical cyclone genesis location in the western North Pacific
Authors: Tong Haoyu , Li Tim , Pan Xiao
Published: August 2024

Climatological monthly mean tropical cyclone (TC) genesis location in the western North Pacific exhibits a marked meridional shift from June to November and the physical cause of such a shift was investigated through the diagnosis of observational and reanalysis datasets. Two genesis potential indices were used to examine key environmental parameters affecting the meridional shift. The diagnosis results indicate that dynamic parameters such as vertical and meridional wind shears play a dominant role in promoting both the northward advance and southward retreat of the mean genesis latitude, while the effect of vertical velocity is negligible. The thermodynamic parameters such as relative humidity and potential intensity in general play a minor role, except that the latter helps promote northward advance during the early TC season. The change of the environmental parameters is closely linked to the sub‐seasonal evolution of the monsoon trough and subtropical high in the western North Pacific. Maximum synoptic‐scale variability also experiences a similar meridional shift, contributing to the TC genesis location shift.
The effect of volatility in linguistic input on prediction behavior in autistic toddlers
Authors: Prescott Kathryn E. , Mathée‐Scott Janine , Bolt Daniel , Saffran Jenny , Ellis Weismer Susan
Published: August 2024

Domain‐general prediction differences have been posited as underlying many aspects of the cognitive‐behavioral profile in autism. An interesting potential implication of such differences is hyperplasticity of learning—the idea that autistic individuals may privilege more recent input over the accumulation of prior learning. Because real world language input is highly variable, hyperplasticity could have serious ramifications for language learning. To investigate potential hyperplasticity during a language processing task, we administered an experimental anticipatory eye movement (AEM) task to 2‐ to 3‐year‐old autistic children and neurotypical (NT) peers. Autistic children's change in anticipation from before to after a switch in contingencies did not significantly differ from NT counterparts, failing to support claims of hyperplasticity in the linguistic domain. Analysis of individual differences among autistic children revealed that cognitive ability was associated with prediction of the initial, stable contingencies, but neither age nor receptive language related to task performance. Results are discussed in terms of clinical implications and the broader context of research investigating prediction differences in autism.
Ein mechanisch konsistenter Ansatz für den Stabilitätsnachweis für Holzträger unter Druck und Biegung um die starke Achse – Teil 2
Authors: Wilden Vera , Hoffmeister Benno , Feldmann Markus
Published: August 2024

Der Stabilitätsnachweis von schlanken, auf Biegung um die starke Achse beanspruchten Holzträgern kann mit einer nichtlinearen Computerberechnung oder nach dem Ersatzstabverfahren erfolgen. Allerdings, im Vergleich zu einem numerischen Querschnittsnachweis nach Theorie 2. Ordnung mit Ersatzimperfektionen, führt der Bauteilnachweis für Biegedrillknicken nach dem Ersatzstabverfahren mit Reduktionsfaktoren nach den derzeitigen Regeln zu unterschiedlichen Ergebnissen. Im vorliegenden Beitrag werden beide Nachweisverfahren näher untersucht. Im ersten Teil wurde ein mechanisch konsistenter Ansatz für Knickkurven des Biegeknickens und Biegedrillknickens unter Verwendung eines geeigneten eigenformaffinen Imperfektionsansatzes vorgestellt, dessen Ergebnisse mit einer geometrisch nichtlinearen Berechnung nach Theorie 2. Ordnung übereinstimmen. Es wurde dargelegt, dass auch die Effekte aus Plastizierung berücksichtigt werden können. In diesem zweiten Teil des Beitrags wird über Ergebnisse von Biegedrillknickversuchen an Brettschichtholzträgern mit weitestgehend idealen Randbedingungen und richtungstreuer Lasteinleitung berichtet. Daraus können weitere Imperfektionsgrößen bestätigt oder modifiziert werden, mit denen der hier vorgestellte Knickkurvenansatz für das Biegedrillknicken bedient werden kann.
Sicherheitsbeurteilung für Bauwerke in langsamen Großmassenbewegungen
Authors: Marte Roman , Hofmann Robert
Published: August 2024

Langsame Großmassenbewegungen (SMLS) mit typischen jährlichen Bewegungsraten im Bereich von wenigen mm bis mehreren dm und Volumina von einigen 100.000 bis mehreren 100 Mio. m3 kommen im alpinen Raum sehr häufig vor und beeinflussen in vielen Fällen Siedlungsräume, Infrastrukturobjekte wie Straßen, Brücken, Tunnelbauwerke, aber auch Wasserspeicheranlagen, Schutzbauwerke etc. Während im Falle kleinerer Massenbewegungen durch den Einbau von geeigneten Stütz‐ und Sicherungsmaßnahmen den gültigen Richtlinien und Normen entsprechende Standsicherheiten nachgewiesen werden können, ist dies für große Massenbewegungen sowohl aus technischen wie auch aus wirtschaftlichen Gründen in vielen Fällen nicht möglich. Im gegenständlichen Beitrag werden alternative Nachweisprozedere und Beurteilungsmethoden für Bauwerke in derartigen langsamen Großmassenbewegungen vorgestellt, aber auch auf offene Fragen und Diskrepanzen zu den Forderungen in den gültigen Normen und Richtlinien eingegangen. Aufbauend auf den bisherigen Erfahrungen mit Praxisbeispielen werden in Abhängigkeit von der Änderung der Sicherheitszahl ΔFOS, den Änderungen von Bewegungsraten, von Sensitivitätsanalysen und der Beobachtungsmethode gezielte Beurteilungskriterien für eine Einschätzung der Nutzbarkeit von Siedlungsbereichen und baulichen Anlagen in SMLS angeführt.
Stumpfstöße von Stahlbetonstützen mit hochfestem Betonstahl und großen Bewehrungsgraden
Authors: Glaßner Johannes , Vojvodic Goran , Tue Nguyen Viet
Published: August 2024

Im Hochhausbau stellen Stahlbetonstützen mit hohem Bewehrungsgrad und hochfesten Betonstählen aufgrund von wesentlichen Vorteilen in Herstellung und Kosten eine gute Alternative zu Stahl‐ und Verbundstützen dar. Ein bedeutendes Konstruktionselement dieses Stützentyps ist der Stumpfstoß aus Stahlplatte und Mörtelfuge, da gewöhnliche Übergreifungen der Bewehrungsstäbe oder Muffenstöße wegen hoher einhergehender Spaltzugkräfte nicht geeignet sind. Zur Untersuchung des Einflusses des Stumpfstoßes auf die Traglast der hochfesten Stahlbetonstützen wurde eine Versuchsserie mit 16 Prüfkörpern durchgeführt. Es zeigt sich, dass durch den Kontaktstoß der Bemessungswert der Streckgrenze des hochfesten Betonstahls überwunden werden kann, sofern der verwendete Beton eine ausreichende Verformungsfähigkeit aufweist. Bei einer Ausführung mit hoher Genauigkeit des Bewehrungskorbs sind kaum Lastumlagerungen zwischen Längsbewehrung und Beton im unmittelbaren Bereich des Stumpfstoßes zu erwarten. Insgesamt konnten entgegen vorangegangener Forschungsergebnisse keine negativen Auswirkungen aufgrund von Stumpfstößen festgestellt werden. Die bei hohen Bewehrungsgraden beobachteten frühzeitig auftretenden lokalen Abplatzungen der Betondeckung konnten auf die Verformung der angrenzenden Stahlplatten gegenüber der Prüfmaschine zurückgeführt werden.
Coconut husk waste products valorization for fabrication of luminescent titanium dioxide NPs as powerful tool for photodecomposition and food born infection: A sustainable strategy
Authors: Thiyakarajan Sutharappa Kaliyamoorthy , Vijayakumar Subramaniyan , Sriban Kannan , Vidhya Elavarasan , Prathipkumar Subramaniyan , Wadaan Mohammad Ahmad , Mythili Raja
Published: August 2024

Fabricating metal oxide nanoparticles has garnered much attention lately because creating safe chemicals, sustainable materials, economic processes, and renewable resources is becoming increasingly important. This research shows how TiO2 nanoparticles (NPs) could be generated in an ecologically responsible way using waste coconut husk with the help of tender coconut. This extract functions as both a reducing agent and a sealing agent. The investigation of TiO2 NPs exploited ultraviolet (UV), X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FT‐IR), and field‐emission scanning electron microscopy (FE‐SEM) with energy‐dispersive X‐ray (EDX) methods. The germicidal properties of TiO2 NPs against food‐borne pathogenic strains were studied using the agar well method. Employing Congo red pigment, the photodecomposition behavior was investigated. The TiO2 NPs produced had a crystallite size measuring 16.2 nm. The average grain size of the sample, as measured by FE‐SEM inspection, falls within the range of 15 to 25 nm. Impressive anti‐germ effects against food‐borne germs like Gram‐positive (Staphylococcus aureus and Listeria monocytogenes), Gram‐negative (Salmonella typhimurium and Escherichia coli) bacteria, and fungi (Candida albicans and Aspergillus niger) have been proved by the sustainable fabrication of TiO2 NPs. The catalytic effectiveness of Congo red decreased by 88% after 90 min. The findings suggest that sustainable synthesis of TiO2 NPs is an effective tool for food‐borne germicides and photodecomposition behaviors.
Donor–acceptor–donor type AIEgens based on thieno[3.4‐c]pyrrole‐4,6‐dione: Synthesis, electropolymerization, and electrochromism
Authors: Xu Zhe , Ming Shouyi , Zhang Teng , Li Meijing , Zhen Shijie
Published: August 2024

Photoelectric functional materials with electrochemical reversible activity and fluorescence intensities have attracted significant interest due to their wide range of applications in optoelectronic devices. In this work, a series of photoresponsive and electroactive monomers based on thieno[3.4‐c]pyrrole‐4,6‐dione (TPD) are synthesized and characterized. They possess planar geometry with smaller dihedral angles owing to the existence of a noncovalent conformation lock coming from the S atoms and the O atoms. Crystallographic, spectroscopic, and computational results reveal that the introduction of the TPD unit can endow the monomers with aggregation‐induced emission (AIE), reduced energy levels, and increased electrochemical activity. The monomers were successfully polymerized through the electrochemical method, and the corresponding polymers displayed reversible electrochemical activity and stability. Moreover, polymer films based on 3,3‐dimethyl‐3,4‐dihydro‐2H‐thieno[3,4‐b][1,4]dioxepine (ProE)‐TPD have electrochromic properties in the near‐infrared field with a high value of optical contrast ratio (∆T) of 27.1% at 1000 nm.
Innovative indenone‐derivative colorimetric fluorescent probe: A approach for copper ion detection in water
Authors: Hui Peichen , Shi Yanfeng , Xu Zhenghe , Xu Jing , Zhu Baocun , Xu Lirong , Liu Bowen , Zhang Erchi
Published: August 2024

Copper (Cu2+) is a metal chemical element closely related to human life and is widely used in many fields. However, with the discharge of copper wastewater, the water quality will be seriously affected, leading to excessive intake of Cu2+ and a variety of diseases. Hence, there is a pressing need for an effective detection method for Cu2+ in aqueous environments. Leveraging the remarkable attributes of GFP chromophores and indenone derivatives, we have created a novel colorimetric fluorescent probe P‐Cu2+, tailored for efficient copper ion detection. The addition of Cu2+ causes the solution to visibly change from colorless to a pronounced yellow, enabling naked‐eye detection and offering promise for real sample analysis.
Optimization of Alkali Treatment Conditions of Ramie Fabrics Using Box–Behnken Method
Authors: Wagaye Bewuket Teshome , Guo Jiansheng
Published: August 2024

Ramie is a widely used plant fiber for making textiles and reinforcement in biodegradable composites. Pretreating cellulosic fibers with alkali before producing composites is increasingly used to enhance adhesion with polymeric resin. In this work, response surface methodology (RSM) based on the Box–Behnken technique was utilized to investigate the impact of independent variables on ramie fabric characteristics and determine the optimal treatment condition. The impact of alkali concentration, treatment time, and temperature on the breaking load and elongation at break of woven ramie fabrics were evaluated using Design‐Expert software, which established the design matrix and analyzed the experimental data employing numerical and graphical optimization methods. Moreover, the impact of alkali treatment conditions on the surface morphology, structural change of ramie fabrics, and thermal properties was investigated. Based on the analysis of variance (ANOVA) results, the suggested quadratic models can adequately predict the breaking load and elongation at break of the ramie woven fabrics within the range of conditions applied in this investigation. The RSM revealed that an alkali concentration of 6.12%, a treatment time of 30 min, and a temperature of 39.13°C resulted in an optimum treatment condition with a breaking load of 518.28 N and elongation at break of 23.36%.
The effect of beliefs and self‐efficacy on the levels of sexual abuse‐related anxiety in parents of children with disabilities
Authors: Özkan Filiz , Uzdil Nurcan , Karakaya Serkan , Köseoğlu Bülent
Published: August 2024

This study was conducted to investigate the relationship between self‐efficacy, sexual abuse‐related anxiety and belief levels of the parents of children receiving special education support. The study was descriptively conducted with the parents of 141 students who received special education in primary school in Kayseri in the 2021–2022 academic year. Parent information form, Parental Beliefs Form on Child Sexual Abuse (PBFCSA), Sexual Abuse Parental Anxiety Scale (SAPAS) and Parental Self‐Efficacy Instrument for Children with Disabilities (PSICD) were used in the study. Independent samples t test, Pearson rank correlation coefficient and multiple linear regression analysis were used for data analysis. In the study, statistically significant and positive correlations were found between parental beliefs about sexual abuse and anxiety about sexual abuse (r = 0.318; 95% CI [0.188, 0.438]), between anxiety about sexual abuse and parental self‐efficacy (r = 0.389; 95% CI [0.213, 0.531]) and between parental beliefs about sexual abuse and parental self‐efficacy (r = 0.324; 95% CI [0.116, 0.514]). In the study, it was found that 24.4% of parental anxiety was explained by parental self‐efficacy, beliefs about sexual abuse, parent status, working status and age. In the study, a weak but positive and significant relationship was found between parental beliefs about sexual abuse and anxiety about sexual abuse. It is recommended that studies should be conducted to determine appropriate coping methods for parents' concerns about sexual abuse and to monitor changes in their beliefs and self‐efficacy. In addition, it is predicted that applied studies addressing self‐efficacy and beliefs should be conducted to understand how levels of anxiety might be reduced.
Rental subsidies and take‐up barriers in an era of expensive rents: An extended version of the theory of planned behaviour
Authors: Flynn Lindsay , Buscicchio Giulia
Published: August 2024

Despite increasing rent price burdens throughout Europe, many eligible households for rental subsidies do not use them. Understanding determinants of low take‐up is crucial for evaluating program effectiveness and anticipating fiscal implications. To identify those determinants, we built an extended version of the theory of planned behaviour, incorporating dimensions from the claiming costs scale. In an online survey, participants comprising renting households likely eligible for the housing subsidy from Germany (n = 862) and Spain (n = 1032) completed measures of behavioural intention, rental cost burdens, theory of planned behaviour constructs (attitudes, subjective norms, perceived behavioural control, and past behaviour), and claiming costs constructs (information costs, process costs, and stigma). Results supported a multi‐group model, showing different paths for Germany and Spain. Several similar paths were identified for both countries, such as the indirect association of stigma with intention to apply for rental subsidies via attitude, the positive and strong association of subjective norms, and the positive association between perceived behavioural control and intention. The indirect relationship involving information costs was observed for Spain but not Germany, and rental cost burdens operated differently as well. These findings suggest that multiple dimensions, both psychological and policy‐related, should be considered when investigating claiming behaviours for rental subsidies, while emphasizing the need to acknowledge the unique characteristics of each country. This evidence is also relevant to policymakers, offering insights into leveraging established policy tools. Please refer to the Supplementary Material Section to find this article's Community and Social Impact Statement.
METTL3 mediated ferroptosis in chondrocytes and promoted pain in KOA via HMGB1 m6A modification
Authors: Bao Tianchi , Liao Taiyang , Cai Xuefeng , Lu Binjie , Dai Gaole , Pei Shuai , Zhang Yunqing , Li Yuwei , Xu Bo
Published: August 2024

Methyltransferase‐like 3 (METTL3) plays a role in the development of knee osteoarthritis (KOA). However, the mechanism underlying the role of METTL3 in KOA is unclear. This work investigated the effects of MELLT3 on ferroptosis and pain relief in in vitro and in vivo KOA models. Chondrocytes were treated with 10 ng/mL interleukin‐1β (IL‐1β) or 5 μM Erastin (ferroptosis inducer). IL‐1β or Erastin treatment inhibited cell viability and glutathione levels; increased Fe2+, lipid reactive oxygen species and malondialdehyde production; and decreased glutathione peroxidase 4, ferritin light chain and solute carrier family 7 member 11 levels. The overexpression of METTL3 facilitated the N6‐methyladenosine methylation of high mobility group box 1 (HMGB1). HMGB1 overexpression reversed the effect of sh‐METTL3 on IL‐1β‐treated chondrocytes. A KOA rat model was established by the injection of monosodium iodoacetate into the joints and successful model establishment was confirmed by haematoxylin and eosin staining and Safranin O/Fast Green staining. METTL3 depletion alleviated cartilage damage, the inflammatory response, ferroptosis and knee pain in KOA model rats, and these effects were reversed by the addition of HMGB1. In conclusion, METTL3 depletion inhibited ferroptosis and the inflammatory response, and ameliorated cartilage damage and knee pain during KOA progression by regulating HMGB1.
Pelvic inflammatory disease associated with cytomegalovirus infection in an immunocompetent adult: Case report and literature review
Authors: Nitta Yuto , Shibata Takashi , Kato Hiroki , Nakago Satoshi
Published: August 2024

Key Clinical Message

Pelvic inflammatory disease associated with cytomegalovirus infection in immunocompetent adults might be difficult to diagnose because of the rarity and relatively inconspicuous symptoms of infectious mononucleosis. Even if the main complaint is lower abdominal pain, careful search for symptoms latent outside the abdomen could lead to the diagnosis.
Effectiveness of rehabilitation for young patients with extensive right hemisphere cerebral infarction: A report of two cases
Authors: Nakamura Tomoyuki , Kurosaki Shuhei , Baba Mikoto , Irisawa Hiroshi , Mizushima Takashi
Published: August 2024

Key Clinical Message

In younger patients, including those with extensive infarction involving the anterior and middle cerebral artery regions of the right hemisphere, appropriate treatment for rare causes and goal‐oriented long‐term rehabilitation could improve severe hemiplegia and higher brain dysfunction, and allow for further education and employment.

Although the number of young stroke patients is small, many have serious sequelae and rare causes. In addition to independence in activities of daily living, education and employment are desired. We present two cases of extensive infarction in the right cerebrum in patients who underwent rehabilitation with good outcomes.
Decomposition of N2O by Ruthenium Catalysts – RuO2 as Active Phase on Non‐Reducible Supports
Authors: Zhang Xiaoqiao , Zheng Jian , Boch Florian Johannes , Nickl Simon , Köhler Klaus
Published: August 2024

Ruthenium has been supported on specifically chosen non‐reducible supports (Al2O3, SiO2, Al2O3‐SiO2 mixed oxides, Mg/ZnAl2O4 spinel, and AlF3), and these catalysts have been tested in the decomposition of nitrous oxide, N2O, to identify the catalytically active phase of ruthenium. Pure, bulk ruthenium dioxide, RuO2, and isolated Ru surface complexes have been synthesized and investigated for comparison. The catalysts were characterized by X‐ray diffraction, H2 chemisorption, N2 physisorption, temperature‐programmed reduction, and desorption (TPR/TPD) and in situ infrared spectroscopy (IR). All aimed experiments strongly indicate that the decomposition of N2O occurs on ruthenium dioxide, RuO2, instead of metal particles. H2 pre‐reduction to Ru metal has inhibitory effects for all oxygen‐containing supports. The activity increases with the dispersion of ruthenium oxide. Bulk RuO2 showed the best catalytic performance.
Smart Materials for Biocatalysis Regulation through Thermoresponsive Polymers
Authors: de Barros Heloise R. , Theisen Maíra , Durigon Maria Clara , Leite Daiani C. , Piovan Leandro , Riegel‐Vidotti Izabel C.
Published: August 2024

Temperature‐responsive biocatalytic hybrid materials offer several advantages, such as improved stability, enhanced catalytic efficiency, and biocatalysts longer lifespan. Combining enzymes with thermoresponsive polymers in a strategically manner allows a smarter modulation of enzyme activity in response to temperature changes. Thermoresponsive materials can act as protective barriers for enzymes or enable controlled exposure and release depending on temperature variations, expanding enzyme applications in diverse environments. This review aims to comprehensively present the design strategies for enzyme‐polymer hybrid materials with thermoresponsive properties, and to address the advantages, applications, and challenges involved for a rational control of biocatalytic systems. The study emphasizes the importance of creating stimuli‐responsive biocatalytic hybrid materials for diverse applications, ranging from controlled drug delivery to industrial catalysis. Furthermore, we outline key research opportunities and future perspectives for studies within this scope.
Systematic reviews of clinical laboratory studies: Pilot risk of bias tool developed by consensus
Authors: Fox Tilly , Hunt Beverley J. , Ariens Robert A. S. , Towers Greg J. , Lever Robert , Garner Paul , Kuehn Rebecca
Published: August 2024

Introduction

Some research studies aim to elucidate pathophysiology by examining blood or tissue markers in relation to clinical findings. In COVID‐19, this has led specialists to promote treatment options based on single studies without systematic appraisal and critical summaries of the data. As we could not identify any published tools for this purpose, we developed a pilot risk of bias tool by consensus, and report here on our approach.

Methods

Using an expert consultative consensus process, a panel of five topic experts were guided through a set of iterative steps to develop questions intended to elicit information about the study methods and reporting in clinical laboratory studies. The team piloted the tool in three clinical laboratory studies, and then applied it formally as a component in assessing a hypothesis about mechanisms in the post‐COVID‐19 condition as part of a Cochrane review.

Results

The pilot tool assessed study quality and bias across three domains applicable to comparative and single‐arm clinical laboratory studies: collection and handling of samples, experimental methods, and reporting of the results. In the Cochrane review, the tool identified substantive risk of bias in the included clinical laboratory studies.

Conclusion

The plethora of COVID‐19 research has highlighted the need for formal methods to systematically appraise clinical laboratory studies related to disease pathology. This tool provides a systematic approach to appraise the validity of these studies. Our process may guide others in the development of appraisal tools in areas where they are needed. Given the relationship between clinical laboratory studies and the development of medical treatments, further development of this risk of bias tool is important for evidence‐based healthcare and research.
A Unified Approach for the Prediction of Dry Pressure Drop in Knitted‐Wire Mesh Demisters
Authors: Döß Alexander , Schubert Markus , Bieberle André , Johnson Jesline , Kryk Holger , Flegiel Felix , Hampel Uwe
Published: August 2024

The removal of unwanted droplets in thermal separation units is often accomplished using knitted wire meshes. Alongside the separation efficiency, the pressure drop plays a crucial role for the design of these demisters. Wire meshes have been subject to limited investigations, and correlations for predicting the pressure drop, both with or without loading (referred to as dry pressure drop), have not yet been validated. To address this gap, experimental analyses of porosity and dry pressure drop were conducted over a wide range of wire mesh parameters and intake gas velocities. An empirical correlation was developed from these experimental results and further data from the literature. This correlation enables prediction of the pressure drop with a mean deviation of ±20 %.
Effect of Itraconazole, a CYP3A4 Inhibitor, and Rifampin, a CYP3A4 Inducer, on the Pharmacokinetics of Vatiquinone
Authors: Lee Lucy , Thoolen Martin , Ma Jiyuan , Kaushik Diksha , Golden Lee , Kong Ronald
Published: August 2024

Vatiquinone is a small molecule inhibitor of 15‐lipoxygenase in development for patients with Friedreich's ataxia. The objective of this analysis was to determine the effect of a cytochrome P450 isoform 3A4 (CYP3A4) inhibitor and inducer on vatiquinone pharmacokinetics (PKs). The coadministration of 400 mg of vatiquinone with 200 mg of itraconazole (a CYP3A4 inhibitor) resulted in increased maximum observed concentration (Cmax) of vatiquinone and systemic exposure (AUC0‐inf) by approximately 3.5‐ and 2.9‐fold, respectively. The coadministration of 400 mg of vatiquinone with 600 mg of rifampin (a CYP3A4 inducer) resulted in decreased vatiquinone Cmax and AUC0‐inf by approximately 0.64‐ and 0.54‐fold, respectively. The terminal half‐life of vatiquinone was not affected by itraconazole or rifampin. These clinical study results confirm the in vitro reaction phenotyping data that shows that CYP3A4 plays an important role in vatiquinone metabolism. The result of this analysis together with phase 3 efficacy and safety data, population PK analysis, and the exposure‐response relationship will determine if the extent of vatiquinone changes in the presence of CYP3A4 inhibitors and inducers are considered clinically relevant.
Model‐informed Evidence for Clinical Non‐inferiority of Every‐2‐Weeks Versus Standard Weekly Dosing Schedule of Cetuximab in Metastatic Colorectal Cancer
Authors: Milenković‐Grišić Ana‐Marija , Hayes Siobhán , Farrell Colm , Kuroki Yoshihiro , Bertolino Mauro , Venkatakrishnan Karthik , Girard Pascal
Published: August 2024

Cetuximab was initially developed and approved as a first‐line treatment in patients with unresectable metastatic colorectal cancer (mCRC) for weekly administration (250 mg/m2 Q1W with 400 mg/m2 loading dose). An every‐2‐weeks schedule (500 mg/m2 Q2W) was approved recently by several health authorities. Being synchronized with chemotherapy, Q2W administration should improve patients' convenience and healthcare resource utilization. Herein, we present evidence of non‐inferiority of Q2W cetuximab, compared with Q1W dosing using pharmacometrics modeling and clinical trial simulation (CTS). Pooled data from five phase I–III clinical trials in 852 patients with KRAS wild‐type mCRC treated with Q1W or Q2W cetuximab were modeled using a population exposure–tumor size (TS) model linked to overall survival (OS); exposure was derived from a previously established population pharmacokinetic model. A semi‐mechanistic TS model adapted from the Claret model incorporated killing rate proportional to cetuximab area under the concentration‐time curve over 2 weeks (AUC) with Eastern Cooperative Oncology Group (ECOG) status as covariate on baseline TS. The OS was modeled with Weibull hazard using ECOG, baseline TS, primary tumor location, and predicted percent change in TS at 8 weeks as covariates. Model‐based simulations revealed indistinguishable early tumor shrinkage and survival between Q2W vs. Q1W cetuximab. CTS evaluated OS non‐inferiority (predefined margin of 1.25) in 1,000 trials, each with 2,000 virtual patients receiving Q2W or Q1W cetuximab (1:1), and demonstrated non‐inferiority in 94% of cases. Taken together, these analyses provide model‐based evidence for clinical non‐inferiority of Q2W vs. Q1W cetuximab in mCRC with potential benefits to patients and healthcare providers.
Regulating the Pore Structure and Heteroatom Doping of Soybean Straw Carbon Based on a Bifunctional Template Method for the High‐Performance Carbon Supercapacitor
Authors: Guo Lingyu , Jiao Shenghui , Wei Guijuan , Zhao Xixia , Zhang Junliu , Zhang Huixin , Zhao Xin , Chen Honglei , Ji XingXiang
Published: August 2024

The previous research addressed the waste problem of agriculture and forestry residues by exploring the efficient utilization of liquefied soybean straw in supercapacitor. The structures of the liquefied soybean straw were controlled by coupling microwave hydrothermal treatment with carbonization under the influence of a C3N4 bifunctional template. What′s more, C3N4 could effectively regulate the pore structures and provide an effective N active site of carbon materials C3N4. The obtained N‐SLR Carbon‐700 possess a specific surface area of up to 1593.7 m2 g −1, and the pore size is mainly concentrated in the range of 1.8–2.5 nm, providing efficient ions transmission channels and storage space. Its specific capacitance is up to 261.5 F g−1 (current density of 0.5 A g−1), and the capacity retention is 74.04 % when the current density is expanded by 20 times. In the two‐electrode system, the energy density of N‐SLR Carbon‐700 could reach to 31.3 W h kg−1 at a power density of 360 W kg−1, as well as the energy surface density is maintained at 69 % when the power density is increased by a factor of 20. This work enhances effectively the charging and discharging stability and capacitance value of carbon‐based supercapacitor.
Upcycling of Chitin to Cross‐Coupling Catalysts: Tailored Supports and Opportunities in Mechanochemistry
Authors: Trentin Oscar , Ballesteros‐Plata Daniel , Rodríguez‐Castellón Enrique , Puppulin Leonardo , Selva Maurizio , Perosa Alvise , Rodríguez‐Padrón Daily
Published: August 2024

In this study chitin derived from shrimp shells was used in the design of heterogeneous Pd‐based catalysts for Heck and Suzuki‐Miyaura cross‐coupling reactions. The synthesis of Pd nanoparticles supported on N‐doped carbons was performed through different approaches, including a sustainable mechanochemical approach, by using a twin‐screw extruder. All catalytic systems were characterized by a multitechnique approach and the effect of nanoparticles size, N‐doping on the support, and their synergistic interactions were elucidated. Specifically, Kelvin Probe Atomic Force Microscopy provided valuable insights on charge transfer and metal‐support interactions. The catalytic behaviour of the samples was investigated in cross‐coupling reactions under batch conditions and under semi‐continuous flow solvent‐free conditions, respectively obtaining a quantitative yield and a noteworthy productivity of 8.7 mol/(gPdh).
Research and design of multi‐stage multi‐load wireless power supply system for high voltage online monitoring equipment
Authors: Lu Jianghua , Gui Yineng
Published: August 2024

Many online monitoring devices in substations are placed at high potential differences from the ground, and it is not possible to supply power to these devices directly from the ground through wires. Placing magnetically coupled structures inside the substation pillar insulators for inductive power transfer is considered a feasible solution, and at this stage of research, systems that add multi‐stage repeating coil structures are mostly used to achieve stable power supply for individual online monitoring devices. However, the monitoring point generally requires multiple devices to monitor together, and the power requirements of different devices are different, so adding multiple repeating coils at the same time will increase the complexity of the system design, which is not conducive to engineering applications. Therefore, this paper designs and optimizes a multi‐stage multi‐load wireless power supply system magnetic coupling structure, using a three‐dimensional hollow solenoid combined with a ferrite core as the system repeating coil structure and an embedded magnetic coupling structure as the receiver end structure to reduce the number of system repeating coils while supplying power to devices with different power requirements. A prototype with a transmission distance of 1.02 m was built in the experiment, and the experimental results showed that the highest transmission efficiency of the system was 44.3% and 39.2% under single load and double load conditions, respectively. As the load resistance increases, the system can achieve constant voltage output under both single‐load and dual‐load operating conditions. Adjusting the number of turns of the receiving coil can change the output characteristics of the system and achieve constant voltage output of different voltage levels or constant current output of different current levels, which can meet the power supply needs of different loads.