bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hospital‐Treated Infections and Risk of Disability Worsening in Multiple Sclerosis
Authors: Hu Yihan , Frisell Thomas , Alping Peter , Song Huan , Pawitan Yudi , Fang Fang , Piehl Fredrik 
Published: July 2024

ObjectiveTo investigate the association between infections and disability worsening in people with multiple sclerosis (MS) treated with either B‐cell depleting therapy (rituximab) or interferon‐beta/glatiramer acetate (IFN/GA).MethodsThis cohort study spanned from 2000 to 2021, using data from the Swedish MS Registry linked to national health care registries, comprising 8,759 rituximab and 7,561 IFN/GA treatment episodes. The risk of hospital‐treated infection was estimated using multivariable Cox models. The association between infections and increase in Expanded Disability Status Scale (EDSS) scores was assessed using a doubly robust generalized estimating equations model. Additionally, a piece‐wise exponential model analyzed events of increased disability beyond defined cut‐off values, controlling for relapses, and MRI activity.ResultsCompared with IFN/GA, rituximab displayed increased risk of both inpatient‐ and outpatient‐treated infections (hazard ratio [HR], 2.08; 95% confidence interval [CI], 1.50–2.90 and HR, 1.37; 95% CI, 1.13–1.67, respectively). An inpatient‐treated infection was associated with a 0.19‐unit increase in EDSS (95% CI, 0.12–0.26). Degree of worsening was greatest for progressive MS, and under IFN/GA treatment, which unlike rituximab, was more commonly associated with MRI activity. After controlling for relapses and MRI activity, inpatient‐treated infections were associated with disability worsening in people with relapsing–remitting MS treated with IFN/GA (HR, 2.01; 95% CI, 1.59–2.53), but not in those treated with rituximab.InterpretationCompared to IFN/GA, rituximab doubled the infection risk, but reduced the risk of subsequent disability worsening. Further, the risk of worsening after hospital‐treated infection was greater with progressive MS than with relapsing–remitting MS. Infection risk should be considered to improve long term outcomes. ANN NEUROL 2024;96:694–703
Modulating the Bader Charge Transfer in Single p‐Block Atoms Doped Pd Metallene for Enhanced Oxygen Reduction Electrocatalysis
Authors: Xie Linfeng , Wang Jing , Wang Kun , He Zixu , Liang Jiashun , Lin Zijie , Wang Tanyuan , Cao Ruiguo , Yang Feng , Cai Zhao , Huang Yunhui , Li Qing 
Published: July 2024

AbstractMetallene is considered as an emerging family of electrocatalysts due to its atomically layered structure and unique surface stress. Here we propose a strategy to modulate the Bader charge transfer (BCT) between Pd surface and oxygenated intermediates via p‐d electronic interaction by introducing single‐atom p‐block metal (M=In, Sn, Pb, Bi) into Pd metallene nanosheets towards efficient oxygen reduction reaction (ORR). X‐ray absorption and photoelectron spectroscopy suggests that doping p‐block metals could facilitate electron transfer to Pd sites and thus downshift the d‐band center of Pd and weaken the adsorption energy of O intermediates. Among them, the developed Bi−Pd metallene shows extraordinarily high ORR mass activity of 11.34 A mgPd−1 and 0.86 A mgPd−1 at 0.9 V and 0.95 V in alkaline solution, respectively, representing the best Pd‐based ORR electrocatalysts ever reported. In the cathode of a Zinc‐air battery, Bi−Pd metallene could achieve an open‐circuit voltage of 1.546 V and keep stable for 760 h at 10 mA cm−2. Theoretical calculations suggest that the BCT between Pd surface and *OO intermediates greatly affects the bond length between them (dPd‐*OO) and Bi doping could appropriately reduce the amount of BCT and stretch the dPd‐*OO, thus enhancing the ORR activity.
Ligand‐Solvent Coordination Enables Comprehensive Trap Passivation for Efficient Near‐Infrared Quantum Dot Light‐Emitting Diodes
Authors: Wang Ye , Liu Zong‐Shuo , Zhao Feng , Liu Wei‐Zhi , Shen Wan‐Shan , Zhou Dong‐Ying , Wang Ya‐Kun , Liao Liang‐Sheng 
Published: July 2024

AbstractNear‐infrared light‐emitting diodes (NIR LEDs) based on perovskite quantum dots (QDs) have produced external quantum efficiency (EQE) of ~15 %. However, these high‐performance NIR‐QLEDs suffer from immediate carrier quenching because of the accumulation of migratable ions at the surface of the QDs. These uncoordinated ions and carriers—if not bound to the nanocrystal surface—serve as centers for exciton quenching and device degradation. In this work, we overcome this issue and fabricate high‐performance NIR QLEDs by devising a ligand anchoring strategy, which entails dissolving the strong‐binding ligand (Guanidine Hydroiodide, GAI) in the mediate‐polar solvent. By employing the dye‐sensitized device structure (phosphorescent indicator), we demonstrate the elimination of the interface defects. The treated QDs films exhibit an exciton binding energy of 117 meV: this represents a 1.5‐fold increase compared to that of the control (74 meV). We report, as a result, the NIR QLEDs with an EQE of 21 % which is a record among NIR perovskite QLEDs. These QLEDs also exhibit a 7‐fold higher operational stability than that of the best previously reported NIR QLEDs. Furthermore, we demonstrate that the QDs are compatible with large‐area QLEDs: we showcase 900 mm2 QLEDs with EQE approaching 20 %.
Synthesis of a Gold–Silver Alloy Nanocluster within a Ring‐Shaped Polyoxometalate and Its Photocatalytic Property
Authors: Kamachi Minori , Yonesato Kentaro , Okazaki Takashi , Yanai Daiki , Kikkawa Soichi , Yamazoe Seiji , Ishikawa Ryo , Shibata Naoya , Ikuhara Yuichi , Yamaguchi Kazuya , Suzuki Kosuke 
Published: July 2024

AbstractAlloying is an effective method for modulating metal nanoclusters to enrich their structural diversity and physicochemical properties. Recent investigations have demonstrated that polyoxometalates (POMs) can act as effective multidentate ligands for silver (Ag) nanoclusters to endow them with synergistic properties, reactivity, catalytic properties, and stability. However, the application of POMs as ligands has been confined predominantly to monometallic nanoclusters. Herein, we report a synthetic method for fabricating surface‐exposed gold (Au)−Ag alloy nanoclusters within a ring‐shaped POM ([P8W48O184]40−). Reacting an Ag nanocluster stabilized by the ring‐shaped POM with Au ions (Au+) was found to substitute several Ag atoms at the core of the nanocluster with Au atoms. The resultant {Au8Ag26} alloy nanocluster demonstrated superior photocatalytic activity and stability compared to the pristine Ag nanocluster in the aerobic oxidation of α‐terpinene under visible‐light irradiation. These findings provide fundamental insights into the formation and catalytic properties of POM‐stabilized alloy nanoclusters and advance exploration into the synthesis and applications of diverse metal nanoclusters.
Ion‐Specific Interactions Engender Dynamic and Tailorable Properties in Biomimetic Cationic Polyelectrolytes
Authors: Aubrecht Filip J. , Orme Kennalee , Saul Aiden , Cai Hongyi , Ranathunge Tharindu A. , Silberstein Meredith N. , McDonald Benjamin R. 
Published: July 2024

AbstractBiomaterials such as spider silk and mussel byssi are fabricated by the dynamic manipulation of intra‐ and intermolecular biopolymer interactions. Organisms modulate solution parameters, such as pH and ion co‐solute concentration, to effect these processes. These biofabrication schemes provide a conceptual framework to develop new dynamic and responsive abiotic soft material systems. Towards these ends, the chemical diversity of readily available ionic compounds offers a broad palette to manipulate the physicochemical properties of polyelectrolytes via ion‐specific interactions. In this study, we show for the first time that the ion‐specific interactions of biomimetic polyelectrolytes engenders a variety of phase separation behaviors, creating dynamic thermal‐ and ion‐responsive soft matter that exhibits a spectrum of physical properties, spanning viscous fluids to viscoelastic and viscoplastic solids. These ion‐dependent characteristics are further rendered general by the merger of lysine and phenylalanine into a single, amphiphilic vinyl monomer. The unprecedented breadth, precision, and dynamicity in the reported ion‐dependent phase behaviors thus introduce a broad array of opportunities for the future development of responsive soft matter; properties that are poised to drive developments in critical areas such as chemical sensing, soft robotics, and additive manufacturing.
Highly Efficient Electrosynthesis of Urea from CO2 and Nitrate by a Metal–Organic Framework with Dual Active Sites
Authors: Qiu Xiao‐Feng , Huang Jia‐Run , Yu Can , Chen Xiao‐Ming , Liao Pei‐Qin 
Published: July 2024

AbstractElectrosynthesis of urea from CO2 and NO3− is a sustainable alternative to energy‐intensive industrial processes. The main challenge hindering the progress of this technology lies in the development of advanced electrocatalysts that efficiently utilize abundant, low‐cost CO2 and nitrogen sources to yield urea with both high Faradaic efficiency (FE) and current density. In this work, we designed and prepared a new two‐dimensional metal–organic framework (MOF), namely PcNi−Fe−O, constructed by nickel‐phthalocyanine (NiPc) ligands and square‐planar FeO4 nodes, as the electrocatalyst for urea electrosynthesis. PcNi−Fe−O exhibits remarkable performance to yield urea at a high current density of 10.1 mA cm−2 with a high FE(urea) of 54.1 % in a neutral aqueous solution, surpassing those of most reported electrocatalysts. No obvious performance degradation was observed over 20 hours of continuous operation at the current density of 10.1 mA cm−2. By expanding the electrode area to 25 cm2 and operating for 8 hours, we obtained 0.164 g of high‐purity urea, underscoring its potential for industrial applications. Mechanism study unveiled the enhanced performance might be ascribed to the synergistic interaction between NiPc and FeO4 sites. Specifically, NH3 produced at the FeO4 site can efficiently migrate and couple with the *NHCOOH intermediate adsorbed on the urea‐producing site (NiPc). This synergistic effect results in a lower energy barrier for C−N bond formation than those of the reported catalysts with single active sites.
Structural and Electronic Evolution of Ethanolamine upon Microhydration: Insights from Hyperfine Resolved Rotational Spectroscopy
Authors: Xie Fan , Mendolicchio Marco , Omarouayache Wafaa , Murugachandran S. Indira , Lei Juncheng , Gou Qian , Sanz M. Eugenia , Barone Vincenzo , Schnell Melanie 
Published: July 2024

AbstractEthanolamine hydrates containing from one to seven water molecules were identified via rotational spectroscopy with the aid of accurate quantum chemical methods considering anharmonic vibrational corrections. Ethanolamine undergoes significant conformational changes upon hydration to form energetically favorable hydrogen bond networks. The final structures strongly resemble the pure (H2O)3–9 complexes reported before when replacing two water molecules by ethanolamine. The 14N nuclear quadrupole coupling constants of all the ethanolamine hydrates have been determined and show a remarkable correlation with the strength of hydrogen bonds involving the amino group. After addition of the seventh water molecule, both hydrogen atoms of the amino group actively contribute to hydrogen bond formation, reinforcing the network and introducing approximately 21–27 % ionicity towards the formation of protonated amine. These findings highlight the critical role of microhydration in altering the electronic environment of ethanolamine, enhancing our understanding of amine hydration dynamics.
High‐Performance Pomegranate‐Like CuF2 Cathode Derived from Spent Lithium‐Ion Batteries
Authors: Zhou Xianggang , Xiao Shanshan , Yang Dan , Li Yingqi , Yao Ruiqi , Lang Xingyou , Tan Huaqiao , Li Yangguang , Jiang Qing 
Published: July 2024

AbstractWith the large‐scale application of lithium‐ion batteries (LIBs), a huge amount of spent LIBs will be generated each year and how to realize their recycling and reuse in a clean and effective way poses a challenge to the society. In this work, using the electrolyte of spent LIBs as solvent, we in situ fluorinate the conductive three‐dimensional porous copper foam by a facile solvent‐thermal method and then coating it with a cross‐linked sodium alginate (SA) layer. Benefiting from the solid‐electrolyte interphase (SEI) that accommodating the volume change of internal CuF2 core and SA layer that inhibiting the dissolution of CuF2, the synthesized CuF2@void@SEI@SA cathode with a pomegranate‐like structure (yolk‐shell) exhibits a large reversible capacity of ~535 mAh g−1 at 0.05 A g−1 and superb cycling stability. This work conforms to the development concept of green environmental protection and comprehensively realizes the unity of environmental, social and economic benefits.
Techno‐economic and carbon footprint analyses of steam Rankine cycle
Authors: Wong Shu Yao , Chew Yick Eu , Andiappan Viknesh , Lakshmanan Shyam , Foo Dominic C. Y. 
Published: July 2024

AbstractSteam Rankine cycle (SRC), which is mainly utilised in power generation sector, faces external irreversibility in its daily operation causing inefficiency in the system. To address this issue, reheat Rankine cycle (RHRC) and regenerative Rankine cycle (RRC) have been widely studied and implemented in power plants to improve thermal efficiency and reduce external irreversibility of Rankine cycle. This study investigates the implementation of different RRC configurations in a combined heat and power plant, including RRC with modified thermal deaerator, RRC with open feed water heater (OFWH) and closed feed water heater (CFWH). A base case simulation model was first constructed using commercial simulation software Aspen HYSYS for the basic SRC system based on actual plant data. Various scenarios were then evaluated for their profitability and sustainability through techno‐economic analysis (TEA) and carbon footprint analysis (CFA). From both analyses, the scenario of RRC with CFWH showed the greatest long‐term potential, generating the highest annual profit of $ 771 691 and carbon footprint reduction of 14.63%, while RRC with modified thermal deaerator showed the greatest potential in the short run with the highest return of investment (ROI) of 201.51% and shortest payback period (PBP) of 0.50 year.
Polymeric laser rods based on modified poly(methyl methacrylate) matrix synthesized by FeIII complex catalyzed atom transfer radical polymerization with enhanced optical gain and photostability
Authors: Zhang Qi , Xiao Zihan , Zhang Zhiyuan , Gao Jinxin , Xia Ruidong , Peng Junbiao , Molla Shimelis Admassie 
Published: July 2024

AbstractThe investigation of fabricating ultra‐compact solid‐state dye laser (SSDL) using N'N‐dimethylformamide (DMF) modified poly(methyl methacrylate) (PMMA) as the polymeric matrix was carried out. Atom transfer radical polymerization (ATRP) was introduced to manipulate the polymerization process of PMMA. By adjusting the additive amount of the FeIII complex (mixture of FeCl3 and 2,2’‐Bipyridyl (bPy)), the polymerization degree of PMMA was coordinated to gain better amplified spontaneous emission (ASE) properties of the embedded laser dye, Lumogen Orange 240 (LO). The ASE threshold of the FeIII complex catalyzed sample decreased as high as ~75%, from 225.3 ± 11.2 μJ cm−2 to 57.2 ± 2.9 μJ cm−2, comparing to that measured in common PMMA matrix. Additionally, a secondary dye, Stilbene 420 was added in the system for sharing excess excitation energy and oxidization damage, to overcome the photostability problem caused by the oxygen‐rich solvent, DMF. The operational lifetime of the resulted sample increased 200%, to the similar level of that without DMF component. Finally, by mechanical polishing and coating a thin film of silver at one end of the PMMA rod, an analogous Fabry‐Perot resonator was structured within the rod. Decent laser emission was obtained from the resulted SSDL without complex external cavities.
Qualitative and quantitative analysis of leachables from dental composites under different extraction conditions using liquid chromatography coupled to mass spectrometry
Authors: Fučík Jan , Kejík Pavel , Bystřický Zdeněk , Amrichová Anna , Hamplová Marie , Mravcová Ludmila 
Published: July 2024

AbstractDental caries is the most widespread form of disease, affecting over 90% of the global population. Amalgam fillings, which have been in use for nearly two centuries, will face an European Union ban by 2025. Although photocomposite fillings are a suitable alternative, health concerns persist because of potential substance release into the oral cavity. This study aimed to evaluate the release of photoinitiator substances and monomers from dental materials into various solvents at different temperatures over 30 days. Cylindrical specimens of the composite resins were submerged in different extraction solutions and incubated at 37 and 50°C. The findings demonstrated that both the extraction solvent and extraction temperature significantly influenced the quantity of leachables (p < 0.05). Furthermore, most leachables were released within the initial days, although some monomers continued to elute for over 30 days. The estimated daily intake was calculated for the worst‐case scenario, confirming the biocompatibility of the composite fillings. The weight loss of dental materials ranged up to 3.5% after 30 days, regardless of the extraction conditions and dental material (p > 0.05). In conclusion, this study contributes to filling several research gaps in the field by addressing the biocompatibility of various dental materials through quantitative and qualitative analyses supported by statistical evaluation.
Memristive Thermal Radiator by Highly Tunable Graphene Plasmon
Authors: Ge Junhao , Tang Jibo , Wu Yu , Zhang Shunping , Xu Hongxing 
Published: July 2024

AbstractThe dynamic regulation of thermal radiation in the mid‐infrared region is technologically important in diverse applications such as thermal management and camouflage. However, there is a notable lack of research on the combination of infrared radiators and memristors, which can maintain previous states or modes without extra power consumption. Here, a memristive mid‐infrared radiator, where graphene nanoribbon grating serves simultaneously as a floating gate for charge storage and a tunable infrared nanoantenna for thermal radiation is proposed. This design enables precise and fast modulation, low power consumption, and scalability. Even a small change of one attocoulomb in the stored charge can produce a 1‐µm peak shift in the absorption peak. This work provides a platform for a memristive infrared thermal radiator that can be further exploited for electrochromic glazing or on‐chip radiative cooling.
Hydrazinated geraniol derivatives as potential broad‐spectrum antiprotozoal agents
Authors: Jooste Joelien , Legoabe Lesetja J. , Ilbeigi Kayhan , Caljon Guy , Beteck Richard M. 
Published: July 2024

AbstractGeraniol, a primary component of several essential oils, has been associated with broad‐spectrum antiprotozoal activities, although moderate to weak. This study primarily concentrated on the synthesis of hydrazinated geraniol derivatives as potential antiprotozoal agents. The synthesised compounds were tested in vitro against different parasitic protozoans of clinical relevance, including Trypanosoma brucei brucei, Trypanosoma brucei rhodesiense, Trypanosoma cruzi and Leishmania infantum. Compounds 6, 8, 13, 14 and 15 demonstrated low micromolar activity against the different parasites. Compounds 8, 13, 14 and 15 had the highest efficacy against Trypanosoma brucei rhodesiense, as indicated by their respective IC50 values of 0.74, 0.56, 1.26 and 1.00 µM. Compounds 6, 14 and 15 displayed the best activity against Trypanosoma brucei brucei, with IC50 values of 1.49, 1.48 and 1.85 µM, respectively. The activity of compounds 6, 14 and 15 also extended to intracellular Trypanosoma cruzi, with IC50 values of 5.14, 6.30 and 4.90 µM, respectively. Compound 6, with an IC50 value of 11.73 µM, and compound 14, with an IC50 value of 8.14 µM, demonstrated some modest antileishmanial activity.
Fangchinoline protects hepatic ischemia/reperfusion liver injury in rats through anti‐oxidative stress and anti‐inflammation properties: an in silico study
Authors: Li Shuangxi , Xiang AnDong , Guo Feng , Alarfaj Abdullah A. , Gao Zehai 
Published: July 2024

AbstractLiver ischemia‐reperfusion (I/R) injury is a common cause of organ failure, developed by a sudden block in the blood and oxygen supply and subsequent restoration. I/R damage is responsible for acute and chronic rejection after organ transplantation, accounting for 10% of early graft failure. The study investigated the therapeutic properties of fangchinoline in liver injury‐induced rats. The rats were divided into three groups: Sham, I/R without pretreatment, and I/R + 10 mg/kg fangchinoline pretreatment. Blood and liver samples were collected for assays, and an in silico docking analysis was conducted to determine fangchinoline's inhibitory effect. The pretreatment with 10 mg/kg of fangchinoline effectively reduced hepatic marker enzymes such as AST, LDH, and ALT in the serum of rats with liver I/R damage. Fangchinoline treatment significantly reduced interleukin‐8 (IL‐8), IL‐6, and tumor necrosis factor‐α (TNF‐α) in I/R‐induced rats, boosting antioxidants and decreasing MDA. Histopathological studies showed liver injury protection, and fangchinoline inhibited TNF‐α and IL‐6 with improved binding affinity. Fangchinoline has hepatoprotective properties by reducing inflammation in rats with liver I/R damage, as demonstrated in the current study. Hence, it can be an effective salutary agent in preventing liver damage caused by I/R.
CircMYO1C silencing alleviates chondrocytes inflammation and apoptosis through m6A/HMGB1 axis in osteoarthritis
Authors: Sun Haitao , Chu Xudong , Qian Weiqing , Yin Hong 
Published: July 2024

AbstractCircular RNAs (circRNAs) are involved in osteoarthritis (OA) progression. This study aimed to investigate the role and molecular mechanisms of circMYO1C in OA. CircMYO1C was upregulated in OA‐ and interleukin‐1β (IL‐1β)‐exposed chondrocytes. The results indicated that circMYO1C knockdown repressed the inflammatory factors (tumor necrosis factor alpha [TNF‐α], interleukin‐6 [IL‐6], interleukin‐8 [IL‐8], etc.) and apoptosis of chondrocytes following IL‐1β exposure. CircMYO1C was an N6‐methyladenosine (m6A)‐modified circRNA with m6A characteristics. High mobility group box 1 (HMGB1) was a target of circMYO1C. IL‐1β exposure increased the stability and half‐life (t1/2) of HMGB1 mRNA, while silencing circMYO1C reduced HMGB1 mRNA stability. Taken together, circMYO1C targets the m6A/HMGB1 axis to promote chondrocyte apoptosis and inflammation. The present study demonstrates that the circMYO1C/m6A/HMGB1 axis is essential for OA progression, highlighting a novel potential therapeutic target for clinical OA.