bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing Interfacial Dynamic Stability Through Accelerated Reconstruction to Inhibit Iron‐Loss During Initial Electrochemical Activation
Authors: Lin Yan , Ren Hao , Zhang Siyu , Liu Sijia , Zhao Tingting , Jiang Wen‐Jie , Zhou Weidong , Hu Jin‐Song , Li Zhongtao 
Published: November 2023

AbstractHighly active oxygen evolution reaction (OER) electrocatalysts, such as those containing Fe, often face the challenge of severe dissolution of active elements. Addressing this concern through the establishment of a dynamically stable interface during OER presents a promising strategy, achieved by manipulation of catalyst components. Herein, the findings reveal that Fe loss during OER predominantly occurs during the initial activation phase, marked by irreversible structural distortion that disrupts interfacial dynamical stability. By investigating the structural evolution of Fe‐containing Prussian blue analogs, serving as a model OER precatalyst, the correlation between precatalyst structural changes and interfacial dynamic stability is elucidated. Utilizing thermal annealing of CoFe bimetal Prussian blue, favorable thermodynamic conditions are induced for generating cyano vacancies within the matrix, thereby facilitating enhanced initial activation during OER. Consequently, catalytically active and stable oxyhydroxide species rapidly form at the interface, exhibiting robust interactions with interfacial Fe elements to stabilize interface dynamics. Suppression of the irreversible structural distortion responsible for active element loss during initial activation culminates in enhanced OER activity and stability.
De novo variants in KCNA3 cause developmental and epileptic encephalopathy
Authors: Soldovieri Maria Virginia , Ambrosino Paolo , Mosca Ilaria , Servettini Ilenio , Pietrunti Francesca , Belperio Giorgio ,   KCNA3 study group, Syrbe Steffen , Taglialatela Maurizio , Lemke Johannes R 
Published: November 2023

ObjectiveVariants in several potassium channel genes, including KCNA1 and KCNA2, cause Developmental and Epileptic Encephalopathies (DEEs). We investigated whether variants in KCNA3, another mammalian homologue of the Drosophila shaker family and encoding for Kv1.3 subunits, can cause DEE.MethodsGenetic analysis of study individuals was performed by routine exome or genome sequencing, usually of parent‐offspring trios. Phenotyping was performed via a standard clinical questionnaire. Currents from wild‐type and/or mutant Kv1.3 subunits were investigated by whole‐cell patch‐clamp upon their heterologous expression.ResultsFourteen individuals, each carrying a de novo heterozygous missense variant in KCNA3, were identified. Most (12/14; 86%) had DEE with marked speech delay with or without motor delay, intellectual disability, epilepsy, and autism spectrum disorder. Functional analysis of Kv1.3 channels carrying each variant revealed heterogeneous functional changes, ranging from “pure” loss‐of‐function (LoF) effects due to faster inactivation kinetics, depolarized voltage‐dependence of activation, slower activation kinetics, increased current inactivation, reduced or absent currents with or without dominant‐negative effects, to “mixed” loss‐ and gain‐of‐function (GoF) effects. Compared to controls, Kv1.3 currents in lymphoblasts from 1 of the proband displayed functional changes similar to those observed upon heterologous expression of channels carrying the same variant. The antidepressant drug fluoxetine inhibited with similar potency the currents from wild‐type and 1 of the Kv1.3 GoF variant.InterpretationWe describe a novel association of de novo missense variants in KCNA3 with a human DEE, and provide evidence that fluoxetine might represent a potential targeted treatment for individuals carrying variants with significant GoF effects. ANN NEUROL 2024;95:365–376
A Single‐Component Dual Donor Enables Ultrasound‐Triggered Co‐release of Carbon Monoxide and Hydrogen Sulfide
Authors: Zhang Mengdan , Cheng Jian , Shen Zhiqiang , Lin Paiyu , Ding Shenggang , Hu Jinming 
Published: November 2023

AbstractThe development of dual gasotransmitter donors can not only provide robust tools to investigate their subtle interplay under pathophysiological conditions but also optimize therapeutic efficacy. While conventional strategies are heavily dependent on multicomponent donors, we herein report an ultrasound‐responsive water‐soluble copolymer (PSHF) capable of releasing carbon monoxide (CO) and hydrogen sulfide (H2S) based on single‐component sulfur‐substituted 3‐hydroxyflavone (SHF) derivatives. Interestingly, sulfur substitution can not only greatly improve the ultrasound sensitivity but also enable the co‐release of CO/H2S under mild ultrasound irradiation. The co‐release of CO/H2S gasotransmitters exerts a bactericidal effect against Staphylococcus aureus and demonstrates anti‐inflammatory activity in lipopolysaccharide‐challenged macrophages. Moreover, the excellent tissue penetration of ultrasound irradiation enables the local release of CO/H2S in the joints of septic arthritis rats, exhibiting superior therapeutic efficacy without the need for any antibiotics.
Photochromic Nucleosides and Oligonucleotides
Authors: Bargstedt Jörn , Reinschmidt Martin , Tydecks Leon , Kolmar Theresa , Hendrich Christoph M. , Jäschke Andres 
Published: November 2023

AbstractPhotochromism is a reversible phenomenon wherein a material undergoes a change in color upon exposure to light. In organic photochromes, this effect often results from light‐induced isomerization reactions, leading to alterations in either the spatial orientation or electronic properties of the photochrome. The incorporation of photochromic moieties into biomolecules, such as proteins or nucleic acids, has become a prevalent approach to render these biomolecules responsive to light stimuli. Utilizing light as a trigger for the manipulation of biomolecular structure and function offers numerous advantages compared to other stimuli, such as chemical or electrical treatments, due to its non‐invasive nature. Consequently, light proves particularly advantageous in cellular and tissue applications. In this review, we emphasize recent advancements in the field of photochromic nucleosides and oligonucleotides. We provide an overview of the design principles of different classes of photochromes, synthetic strategies, critical analytical challenges, as well as structure–property relationships. The applications of photochromic nucleic acid derivatives encompass diverse domains, ranging from the precise photoregulation of gene expression to the controlled modulation of the three‐dimensional structures of oligonucleotides and the development of DNA‐based fluorescence modulators. Moreover, we present a future perspective on potential modifications and applications.
Light‐Responsive Supramolecular Liquid‐Crystalline Metallacycle for Orthogonal Multimode Photopatterning
Authors: Hu Yi‐Xiong , Hao Xingtian , Wang Dan , Zhang Zi‐Cheng , Sun Haitao , Xu Xing‐Dong , Xie Xiaolin , Shi Xueliang , Peng Haiyan , Yang Hai‐Bo , Xu Lin 
Published: November 2023

AbstractThe development of multimode photopatterning systems based on supramolecular coordination complexes (SCCs) is considerably attractive in supramolecular chemistry and materials science, because SCCs can serve as promising platforms for the incorporation of multiple functional building blocks. Herein, we report a light‐responsive liquid‐crystalline metallacycle that is constructed by coordination‐driven self‐assembly. By exploiting its fascinating liquid crystal features, bright emission properties, and facile photocyclization capability, a unique system with spatially‐controlled fluorescence‐resonance energy transfer (FRET) is built through the introduction of a photochromic spiropyran derivative, which led to the realization of the first example of a liquid‐crystalline metallacycle for orthogonal photopatterning in three‐modes, namely holography, fluorescence, and photochromism.
Severe acute drug‐induced dystonia in the post‐operative period requiring tracheal re‐intubation
Authors: Baigent A. V. , Morris E. A. J. 
Published: November 2023

SummaryOndansetron is a highly selective 5‐hydroxytryptamine receptor antagonist and the most commonly used anti‐emetic for the prevention of postoperative nausea and vomiting. Ondansetron has a low affinity for dopamine receptors and so extrapyramidal side effects are rare. Here, we present the case of a 14‐year‐old girl who developed a severe post‐operative acute dystonic reaction which included oculogyric crisis. We believe that ondansetron was the most likely cause, although propofol may have been a synergistic or alternative causative agent. The patient had no significant past medical history and had previously undergone two uneventful general anaesthetics which included both ondansetron and propofol. The prolonged duration and severity of the reaction and failure to fully respond to specific treatments resulted in the need for tracheal intubation and transfer to a paediatric intensive care unit. She subsequently recovered uneventfully with no ongoing neurological sequalae. Ondansetron‐induced dystonic reactions are rare and unpredictable and can occur in patients who have previously received the drug without complication. They are thought to be caused by an imbalance between inhibitory and excitatory neurotransmitters in the extrapyramidal system. Specific treatments include anticholinergics, antihistamines and benzodiazepines.
Recent Progress on Durable Metal‐N‐C Catalysts for Proton Exchange Membrane Fuel Cells
Authors: Wu Hao‐Ran , Chen Miao‐Ying , Li Wei‐Dong , Lu Bang‐An 
Published: November 2023

AbstractIt is essential for the widespread application of proton exchange membrane fuel cells (PEMFCs) to investigate low‐cost, extremely active, and long‐lasting oxygen reduction catalysts. Initial performance of PGM‐free metal‐nitrogen‐carbon (M−N−C) catalysts for oxygen reduction reaction (ORR) has advanced significantly, particularly for Fe−N−C‐based catalysts. However, the insufficient stability of M−N−C catalysts still impedes their use in practical fuel cells. In this review, we focus on the understanding of the structure‐stability relationship of M−N−C ORR catalysts and summarize valuable guidance for the rational design of durable M−N−C catalysts. In the first section of this review, we discuss the inherent degrading mechanisms of M−N−C catalysts, such as carbon corrosion, demetallation, H2O2 attack, etc. As we gain a thorough comprehension of these deterioration mechanisms, we shift our attention to the investigation of strategies that can mitigate catalyst deterioration and increase its stability. These strategies include enhancing the anti‐oxidation of carbon, fortifying M−N bonds, and maximizing the effectiveness of free radical scavengers. This review offers a prospective view on the enhancement of the stability of non‐noble metal catalysts.
A model for stochastic dependence implied by failures among deteriorating components
Authors: Casanova Biscarri Emilio , Mercier Sophie , Sangüesa Carmen 
Published: November 2023

AbstractA system of components is here considered, with component deterioration modeled by non decreasing time‐scaled Lévy processes. When a component fails, a sudden change in the time‐scaling functions of the surviving components is induced, which makes the components stochastically dependent. We compute the reliability function of coherent systems under this new dependence model. We next study the distribution of the ordered failure times, and establish some positive dependence properties. We also provide stochastic comparison results in the usual multivariate stochastic order between failure times of two dependence models with different parameters. Finally, some numerical experiments illustrate the theoretical results.
Sulfonamide derivatives with benzothiazole scaffold: Synthesis and carbonic anhydrase I–II inhibition properties
Authors: Öztürk Cansu , Kalay Erbay , Gerni Serpil , Balci Neslihan , Tokali Feyzi Sinan , Aslan Osman Nuri , Polat Emrah 
Published: November 2023

AbstractThe secondary sulfonamide derivatives containing benzothiazole scaffold (1–10) were synthesized to determine their inhibition properties on two physiologically essential human carbonic anhydrases isoforms (hCAs, EC, 4.2.1.1), hCA I, and hCA II. The inhibitory effects of the compounds on hCA I and hCA II isoenzymes were investigated by comparing their IC50 and Ki values. The Ki values of compounds (1–10) against hCA I and hCA II are in the range of 0.052 ± 0.022–0.971 ± 0.280 and 0.025 ± 0.010–0.682 ± 0.335, respectively. Some of these inhibited the enzyme more effectively than the standard drug, acetazolamide. In particular, compounds 5 and 4 were found to be most effective on hCA I and hCA II.
Targeting stress granules in neurodegenerative diseases: A focus on biological function and dynamics disorders
Authors: Fang Minglv , Liu Ying , Huang Cheng , Fan Shengjie 
Published: November 2023

AbstractStress granules (SGs) are membraneless organelles formed by eukaryotic cells in response to stress to promote cell survival through their pleiotropic cytoprotective effects. SGs recruit a variety of components to enhance their physiological function, and play a critical role in the propagation of pathological proteins, a key factor in neurodegeneration. Recent advances indicate that SG dynamic disorders exacerbate neuronal susceptibility to stress in neurodegenerative diseases (NDs) including Alzheimer's disease (AD), amyotrophic lateral sclerosis (ALS), frontotemporal dementia (FTD), Huntington's disease (HD) and Parkinson's disease (PD). Here, we outline the biological functions of SGs, highlight SG dynamic disorders in NDs, and emphasize therapeutic approaches for enhancing SG dynamics to provide new insights into ND intervention.
Molecular Design of Novel Inhibitor by Targeting IL‐6Rα using Combined Pharmacophore and Experimentally Verified Plant Products with Scaffold‐Hopping Techniques: A Dual Therapeutic Strategy for COVID‐19 and Cancer
Authors: Paul Ishani , Roy Alankar , Ray Sujay 
Published: November 2023

AbstractThe IL‐6/IL‐6R/gp130 complex serves as a significant indicator of cytokine release syndrome in COVID‐19 and chronic inflammation, increasing the risk of cancer. Therefore, we identified IL‐6Rα as a potential target to block gp130 interaction. Notably, there has been no reception of approval for an orally available drug to serve this purpose, to date. In this study, we targeted IL‐6Rα to inhibit IL‐6Rα/gp130 interaction. The selection of the lead candidate L821 involved the amalgamation of three drug discovery approaches. This library was screened employing tertiary structure‐based pharmacophore models followed by molecular docking models, scaffold‐hopping, MM/PBSA as well as MM/GBSA analysis, and assessments of pKi and ADMET properties. After evaluating the binding interactions with key amino acids, 15 potential ligands were chosen, with the top ligand undergoing further investigation by means of molecular dynamics simulations. Considering the stability of the complexes, the strong interactions observed between ligand and residues of IL‐6Rα/gp130, and the favorable binding free energy calculations, L821 emerged as the prime candidate for inhibiting IL‐6Rα. Notably, L821 exhibited a docking‐based binding affinity of −9.5 kcal/mol. Our study presents L821 as a promising inhibitor for future in vitro analysis, potentially combatting SARS‐CoV‐2‐related cytokine storms and serving as an oncogenic drug therapy.
Two New Prostaglandin‐Like Compounds from Callicarpa arborea Roxb and Their NLRP3 Inflammasome Activation Inhibitory Activity
Authors: Zeb Muhammad Aurang , Ding Ling , Wang Meng‐Ru , Tu Wen‐Chao , Li Xiao‐Li , Zhang Xing‐Jie , Xiao Wei‐Lie 
Published: November 2023

AbstractTwo new prostaglandin‐like compounds callicarboric acids A−B (1–2), along with six known compounds (3–8) were isolated from the stems of Callicarpa arborea Roxb. Their structures were determined with the help of modern spectroscopic techniques such as NMR, UV, IR, HR‐ESI‐MS, ECD with the assistance of quantum chemical calculations. Compound 1 exhibited remarkable anti‐NLRP3 inflammasome activation potential, demonstrating an IC50 value of 0.74 μM. Additionally, by reducing GSDMD‐NT production, inhibiting caspase‐1 activation, and suppressing IL‐1β secretion, it effectively mitigated NLRP3 inflammasome‐induced pyroptosis in J774A.1 cells. These findings indicate that compound 1 possesses the capability to be a valuable candidate for further research and development as an NLRP3 inflammasome inhibitor.
Wide QRS complex tachycardia with a mysterious mask—Tricuspid isthmus‐dependent atrial flutter with preexcitation syndrome and dual atrioventricular nodal pathway conduction
Authors: Liu Chao , Li Changjin , Xu Xiaonan , Zhou Mingyao , Huang Xinmiao , Zhou Bingyan , Cao Jiang , Huang Songqun , Guo Zhifu 
Published: November 2023

Key Clinical MessageAtrial flutter (AFL) and supraventricular tachycardia (SVT) are common arrhythmias in clinic. However, some AFL cases may present additional complexities, such as both accessory pathways (AP) and dual atrioventricular node pathways, putting on a mysterious mask and making it challenging to distinguish on electrocardiograms (ECGs).AbstractA 60‐year‐old male patient had a sudden syncope, and an ECG showed wide QRS complex tachycardia. This diagnostic ambiguity is further compounded by the fact that SVT via AP conduction can exhibit wide QRS complex tachycardia characteristics resembling ventricular tachycardia (VT). Consequently, a definitive diagnosis through electrophysiological (EP) examination becomes imperative, as it dictates subsequent ablation strategies. In this article, we present a rare case involving three distinct arrhythmias including AFL, AP, and dual atrioventricular node pathways, and successfully treated through ablation.
Dynamic vs. Stationary Analysis of Electrochemical Carbon Dioxide Reduction: Profound Differences in Local States
Authors: Dorner Inga , Röse Philipp , Krewer Ulrike 
Published: November 2023

AbstractElectrochemical CO2 reduction is crucial for mitigating emissions by converting them into valuable chemicals. Stationary methods suffer from drawbacks like gas bubble distortion and long measurement times. However, dynamic cyclovoltammetry in rotating disc electrode setups is employed to infer performance. This study uncovers limitations when applying this approach to CO2 reduction in aqueous electrolyte. Here, we present a model‐based analysis considering electrochemical reactions, species and charge transport, and chemical carbonation. Experimental and simulated potential cycles demonstrate scan rate dependence, significantly deviating from stationary curves at low rotation rates (50 rpm). Such low rotation rates mimic real diffusion layer thicknesses in practical cell systems, thus a transport impact can be expected also on cell level. This behavior arises from slow transport and carbonation, causing time‐dependent CO2 depletion and electrolyte buffering. Dynamic investigation reveals strong species transport effects. Furthermore, dynamic operation enhances Faradaic efficiency due to a shift in the carbonate reaction system, favoring electrochemical CO2 consumption over chemical CO2 consumption. By clarifying dynamic vs. stationary operation, this research contributes to understanding electrochemical CO2 reduction processes, how to determine transport limitations via dynamic measurements, and provides guidelines for more accurate performance assessment.
Influence of Crystallographic Structure and Metal Vacancies on the Oxygen Evolution Reaction Performance of Ni‐based Layered Hydroxides**
Authors: Sanchis‐Gual Roger , Jaramillo‐Hernández Camilo , Hunt Diego , Seijas‐Da Silva Álvaro , Mizrahi Martín , Marini Carlo , Oestreicher Víctor , Abellán Gonzalo 
Published: November 2023

AbstractNickel‐based layered hydroxides (LHs) are a family of efficient electrocatalysts for the alkaline oxygen evolution reaction (OER). Nevertheless, fundamental aspects such as the influence of the crystalline structure and the role of lattice distortion of the catalytic sites remain poorly understood and typically muddled. Herein, we carried out a comprehensive investigation on ɑ‐LH, β‐LH and layered double hydroxide (LDH) phases by means of structural, spectroscopical, in‐silico and electrochemical studies, which suggest the key aspect exerted by Ni‐vacancies in the ɑ‐LH structure. Density functional theory (DFT) calculations and X‐ray absorption spectroscopy (XAS) confirm that the presence of Ni‐vacancies produces acute distortions of the electroactive Ni sites (reflected as the shortening of the Ni−O distances and changes in the O−Ni−O angles), triggering the appearance of Ni localised electronic states on the Fermi level, reducing the Egap, and consequently, increasing the reactivity of the electroactive sites in the ɑ‐LH structure. Furthermore, post‐mortem Raman and XAS measurements unveil its transformation into a highly reactive oxyhydroxide‐like phase that remains stable under ambient conditions. Hence, this work pinpoints the critical role of the crystalline structure as well as the electronic properties of LH structures on their inherent electrochemical reactivity towards OER catalysis. We envision Ni‐based ɑ‐LH as a perfect platform for hosting trivalent cations, closing the gap toward the next generation of benchmark efficient earth‐abundant electrocatalysts.
Multifunctional UV‐NIR Dual Light‐Responsive Soft Actuators from a Main‐Chain Azobenzene Semi‐Crystalline Poly(ester‐amide) Doped with Polydopamine Nanoparticles
Authors: Ma Shengkui , Zhou Yan , Wang Lei , Zhang Huiqi 
Published: November 2023

AbstractThe development of soft photoactuators with multifunctionality and improved performance is highly important for their broad applications. Herein, we report on a facile and efficient strategy for fabricating such photoactuators with UV‐NIR dual light‐responsivity, room‐temperature 3D shape reprogrammability and reprocessability, and photothermal healability by doping polydopamine (PDA) nanoparticles into a main‐chain azobenzene semi‐crystalline poly(ester‐amide) (PEA). The PEA/PDA nanoparticle composite was readily processed into free‐standing films with enhanced mechanical and photomechanical properties compared with the blank PEA films. Its physically crosslinked uniaxially oriented films showed rapid and highly reversible photochemically induced bending/unbending under the UV/visible light irradiation at room temperature in both the air atmosphere and water. When exposed to the NIR light, they (and their bilayer films formed with a polyimide film) exhibited photothermally induced bending even at a temperature much lower than their crystalline‐to‐isotropic phase transition temperature based on a unique mechanism (involving photothermally induced polymer chain relaxation due to the disruption of their hydrogen bonds). The room‐temperature 3D shape reprogrammability and reprocessability and photothermal healability of the composite polymer films were also demonstrated. Such multifunctional dual light‐responsive photoactuators with well‐balanced mechanical robustness, actuation stability, 3D shape reprogrammability/reprocessability and photothermal healability hold much promise in various photoactuating applications.