bluuebunny/crossref_metadata_2025_split huggingface dataset:
Locally Curved Surface with CoN4 Sites Enables Hard Carbon with Superior Sodium‐Ion Storage Performances at −40 °C
Authors: Song Minghao , Hu Zhaowen , Yuan Chuhan , Dai Peiming , Zhang Tao , Dong Lei , Jin Ting , Shen Chao , Xie Keyu 
Published: May 2024

AbstractThe impressive electrochemical performance of sodium‐ion batteries at low temperatures has long been recognized as a promising technical advantage. However, the inadequate transport kinetics of Na+ ions and complex interfacial reactions at the hard carbon anode surface hinder the practical implementation of commercial sodium‐ion batteries. Herein, a novel approach to address this issue by introducing a homogenized functional carbon coating layer with a locally curved configuration is proposed. This coating layer is designed to accommodate single CoN4 sites on the surface of commercial hard carbon particles, resulting in enhanced sodium storage performance at low temperatures. The surface‐modified hard carbon anode material (HC‐Z1) demonstrates a commendable rate performance of 220.6 mAh g−1 at 3 A g−1@25 °C and a substantial reversible capacity of 288.7 mAh g−1 with an 89% capacity retention at 0.06 A g−1@‐20 °C. Furthermore, even at a temperature as low as −40 °C, the reversible capacity remains at 270 mAh g−1 at 0.06 A g−1. Extensive characterizations and theoretical calculations provide evidence that the optimized interface between the electrode and electrolyte effectively enhances the desolvation and migration of Na+ ions, particularly at low temperatures.
Oxygen‐Pinned Ag1In Single‐Atom Alloy for Efficient Electroreduction CO2 to Formate
Authors: Fang Chaoqiong , Huang Lijun , Gao Wenqiang , Jiang Xuchuan , Liu Hong , Hu Riming , Li Xiao , Yu Jiayuan , Zhou Weijia 
Published: May 2024

AbstractCatalytic conversion of CO2 to valuable formate provides a pathway to carbon neutrality. Indium (In), as a promising catalyst, exhibits high selectivity toward formate due to its suitable bonding ability of *OCHO intermediates. However, it still suffers from the CO2 activation and the protonation steps, leading to low activity and productivity. Here, an oxygen‐pinned stabilization AgIn single‐atom alloy (Op‐Ag1In) is presented for efficiently converting CO2 into formate (≈92.03% Faradaic efficiency) with a partial current density of 13 mA cm−2 at −0.95 V vs RHE by using standard H‐type reactor. The Op‐Ag1In electrocatalyst is more effective in converting CO2 to formate because the activated In sites of Op‐Ag1In catalyst regulate CO2 activation and protonation step of CO2RR and formation of sufficient amounts of *OCHO, which are confirmed by in situ spectroscopic and theoretical calculations. The continuous production of formate is showcased at 70 mA cm–2 for 24 h by utilizing a flow cell and Op‐Ag1In.
Ein Stabiles Chichibabin Diradikaloid mit Nahinfraroter Emission
Authors: Chang Xingmao , Arnold Mona E. , Blinder Rémi , Zolg Julia , Wischnat Jonathan , van Slageren Joris , Jelezko Fedor , Kuehne Alexander J. C. , von Delius Max 
Published: May 2024

AbstractKonjugierte Moleküle mit mehreren Radikalzentren, wie das ikonische Chichibabin‐Diradikaloid, sind vielversprechende Bausteine für Materialien für die Quantensensorik und Quanteninformationsverarbeitung. Jedoch stellt es eine große Herausforderung dar, einfache Analoga des Chichibabin‐Kohlenwasserstoffs zu entwickeln, die chemisch inert sind, einen hohen Diradikal‐Charakter aufweisen und Licht einer spezifischen Wellenlänge emittieren, was das optische Auslesen des Spinzustands in funktionalen Ensembles ermöglichen würde.
Pyridinium‐Yne Click Polymerization: A Facile Strategy toward Functional Poly(Vinylpyridinium Salt)s with Multidrug‐Resistant Bacteria Killing Ability
Authors: He Benzhao , Li Ying , Li Meng , Kang Miaomiao , Liu Xinyue , Huang Jiachang , Wang Dong , Lam Jacky W. Y. , Tang Ben Zhong 
Published: May 2024

AbstractPolymeric materials with antibacterial properties hold great promise for combating multidrug‐resistant bacteria, which pose a significant threat to public health. However, the synthesis of most antibacterial polymers typically involves complicated and time‐consuming procedures. In this study, we demonstrate a simple and efficient strategy for synthesizing functional poly(vinylpyridinium salt)s via pyridinium‐yne click polymerization. This click polymerization could proceed with high atom economy under mild conditions without any external catalyst, yielding soluble and thermally stable poly(vinylpyridinium salt)s with satisfactory molecular weights and well‐defined structures in excellent yields. Additionally, the incorporation of luminescent units such as fluorene, tetraphenylethylene, and triphenylamine into the polymer backbone confers excellent aggregation‐enhanced emission properties upon the resulting polymers, rendering them suitable for bacterial staining. Moreover, the existence of pyridinium salt imparts intrinsic antibacterial activity against multidrug‐resistant bacteria to the polymers, enabling them to effectively inhibit wound bacterial infection and significantly expedite the healing process. This work not only provides an efficient method to prepare antibacterial polymers, but also opens up the possibility of various applications of polymers in healthcare and other antibacterial fields.
pH‐responsivity and photoconductivity for the organic mixed ionic electronic conductor of PANI/PSS composite films
Authors: Al‐Bataineh Qais M. , Ahmad Ahmad A. , Alakhras Lina A. , Telfah Ahmad 
Published: May 2024

AbstractThe influence of ionic‐electronic coupling on the electrical conductivity and the photoconductivity of organic mixed ionic electronic conductor (OMIECs) of polyaniline/poly (4‐styrene sulfonic acid) (PANI/PSS) composite films. PANI/PSS composite films are connected by blending the carbon atoms within the aromatic ring in PANI with sulfonate groups in PSS. The electrical conductivity of PANI/PSS composite film increases from to as the pH value increases from 3 to 9. The electrical conductivity of PANI/PSS composite films for all pH values increases continuously as the temperature increases. Additionally, the PANI/PSS composite films exhibit photo responses at UV light since the band structure can absorb the light in this region. The photoconductivity curves of PANI/PSS composite films for different pH values exhibit good consistency and repeatability. Modeling raising photoconductivity and decaying conductivity after light off leads us to understand the underlying physics of the ionic‐electronic coupling and other parameters on the photoconductivity of OMIECs, consequently building OMIEC devices for different photoconductivity applications.
Degradation modeling and remaining useful lifetime prediction based on functional variance process
Authors: Qin Linjie , Shen Yan 
Published: May 2024

AbstractDynamic fluctuation is a common phenomenon in degradation processes. Hence, how to model it properly has a great impact on the degradation modeling as well as the remaining useful lifetime prediction. To capture the dynamic features and to avoid the risk of the model mis‐specification, a nonparametric degradation model based on functional variance process is proposed in this article. The model is composed of a unit‐specific mean trend and a degradation fluctuation which follows a stochastic process. The mean trend is estimated by the local smoother method, while the stochastic fluctuation is estimated by the functional principal component analysis method. The asymptotic properties of the estimators are proved. Also, the prediction for the remaining useful lifetime is discussed and the estimator is proved to converge in distribution. Moreover, a Bayesian scheme is developed to forecast the remaining useful lifetime for units with incomplete degradation observations. Simulation results show the superiority of the proposed method by comparing it with some existing methods. Finally, two real data sets are analyzed and used to illustrate the application of the method.
Tuning synaptic strength by regulation of AMPA glutamate receptor localization
Authors: Stockwell Imogen , Watson Jake F. , Greger Ingo H. 
Published: May 2024

AbstractLong‐term potentiation (LTP) of excitatory synapses is a leading model to explain the concept of information storage in the brain. Multiple mechanisms contribute to LTP, but central amongst them is an increased sensitivity of the postsynaptic membrane to neurotransmitter release. This sensitivity is predominantly determined by the abundance and localization of AMPA‐type glutamate receptors (AMPARs). A combination of AMPAR structural data, super‐resolution imaging of excitatory synapses, and an abundance of electrophysiological studies are providing an ever‐clearer picture of how AMPARs are recruited and organized at synaptic junctions. Here, we review the latest insights into this process, and discuss how both cytoplasmic and extracellular receptor elements cooperate to tune the AMPAR response at the hippocampal CA1 synapse.
A facile and scalable method to synthesize PEGylated PDMAEMA for gene delivery
Authors: Dou Jie , Yu Shupei , Zhang Yuanwei 
Published: May 2024

AbstractIn recent years, cationic polymer vectors have been viewed as a promising method for delivering nucleic acids. With the advancement of synthetic polymer chemistry, we can control chemical structures and properties to enhance the efficacy of gene delivery. Herein, a facile, cost‐effective, and scalable method was developed to synthesize PEGylated PDMAEMA polymers (PEO‐PDMAEMA‐PEO), where PEGylation could enable prolonged polyplexes circulation time in the blood stream. Two polymers of different molecular weights were synthesized, and polymer/eGFP polyplexes were prepared and characterized. The correlation between polymers' molecular weight and physicochemical properties (size and zeta potential) of polyplexes was investigated. Lipofectamine 2000, a commercial non‐viral transfection reagent, was used as a standard control. PEO‐PDMAEMA‐PEO with higher molecular weight exhibited slightly better transfection efficiency than Lipofectamine 2000, and the cytotoxicity study proved that it could function as a safe gene vector. We believe that PEO‐PDMAEMA‐PEO could serve as a model to investigate more potential in the gene delivery area.
Mechanistic modeling of in vitro transcription incorporating effects of magnesium pyrophosphate crystallization
Authors: Stover Nathan Merica , Ganko Krystian , Braatz Richard D. 
Published: May 2024

AbstractThe in vitro transcription (IVT) reaction used in the production of messenger RNA vaccines and therapies remains poorly quantitatively understood. Mechanistic modeling of IVT could inform reaction design, scale‐up, and control. In this work, we develop a mechanistic model of IVT to include nucleation and growth of magnesium pyrophosphate crystals and subsequent agglomeration of crystals and DNA. To help generalize this model to different constructs, a novel quantitative description is included for the rate of transcription as a function of target sequence length, DNA concentration, and T7 RNA polymerase concentration. The model explains previously unexplained trends in IVT data and quantitatively predicts the effect of adding the pyrophosphatase enzyme to the reaction system. The model is validated on additional literature data showing an ability to predict transcription rates as a function of RNA sequence length.
Tooth autotransplantation outcomes using platelet‐rich fibrin: A promising approach; case study
Authors: SamavatiJame Fatemeh , Alrmali Abdusalam , Galindo‐Fernandez Pablo , Stuhr Sandra , Wang Hom‐Lay 
Published: May 2024

AbstractBackgroundAutogenous tooth transplantation refers to a surgical procedure involving the relocation of a tooth within the same individual. Incorporating platelet‐rich fibrin (PRF) in this procedure holds the potential to improve healing, accelerate recovery, and optimize treatment outcomes.MethodsIn this article, the authors illustrate a PRF‐based approach for autogenous tooth transplantation through two case scenarios. These cases outline the surgical steps of tooth transplantation and demonstrate the potential role of PRF in enhancing soft tissue healing. Furthermore, the article provides insights from a long‐term follow‐up spanning over 7 years.ResultsTooth transplantation in young adults is promising but depends on factors such as root development stage and donor tooth size matching. Including PRF may improve healing, at least in the short term, due to its rich concentration of growth factors and cytokines, promoting effective tissue regeneration.ConclusionsAutogenous tooth transplantation has shown to be a viable treatment option for replacing the missing dentition. Adding PRF to the autogenous tooth transplantation procedure may speed up and enhance the treatment outcome. While the favorable results of these cases might be partially attributed to the use of PRF, the contribution of PRF to the healing process of tooth transplant remains conjectural and requires validation through additional research.Key Points/HighlightsTooth autotransplantation can be performed in younger patients without requiring root canal treatment, while also potentially benefiting from the incorporation of platelet‐rich fibrin (PRF).
Flip that coin: Barriers, barrier‐breakers, and full‐adoption of digital payment methods
Authors: Dimitrova Irina , Öhman Peter 
Published: May 2024

AbstractThe purpose of this study is twofold: to examine the mediating effect of a number of barrier‐breakers on the relationship between barriers and the intention to fully adopt digital payment methods; and to identify adopters‐resisters' commenting behaviour when facing a full‐adoption scenario. Mixed methods were applied. The PROCESS macro method was used to analyse 388 survey responses and test the mediating effects. The main study reveals that the privacy, security, and access barriers can be reduced by increasing the credibility and usefulness barrier‐breakers, respectively. However, the impersonalisation barrier is found to be unaffected by the social influence barrier‐breaker. Based on 91 collected and analysed comments, the netnographic‐based follow‐up study identifies social media commenting behaviours caused by a major bank's decision to stop handling cash. Among the more frequent such behaviours are boycotting and aggressive comments.
Single‐Site Heterogenized Molecular Catalysts towards CO2 Hydrogenation to Formates, Formamides and Methanol
Authors: Mandal Tanmoy , Kumar Ravi , Kumar Saurabh , Choudhury Joyanta 
Published: May 2024

AbstractHarnessing CO2 in conjunction with inexpensive reusable H2 for catalytic hydrogenation is a viable method for lowering the environmental impact of industrial operations while producing useful chemicals and fuels. To make the process more sustainable, particular emphasis was paid to the heterogeneous catalyst system in this regard. Intending to profit from both homogeneous and heterogeneous catalysis in real‐world circumstances for the CO2 hydrogenation reaction, heterogenized molecular catalysts are receiving a lot of attention among heterogeneous catalysts. This review is devoted to significant developments in single‐site heterogenized molecular catalysts for CO2 hydrogenation reactions. Attempting to illustrate the state‐of‐the‐art developments in this domain, the present work meticulously summarizes several recently reported heterogenized molecular catalysts for the CO2 hydrogenation process producing formic acid/formate, N‐formamide, and methanol. The fundamental structure–activity relationships and mechanistic understanding are given particular attention since they offer solid foundations for sensible catalyst architectural design. Important variables that influence catalytic activity are also emphasized, such as electron density, metal dispersion, porous nature, surface area, a robust backbone, and coordination environment of metal sites. Finally, a short assessment is given as potential directions for further research.
In situ high‐quality LiF/Li3N inorganic and phenyl‐based organic solid electrolyte interphases for advanced lithium–oxygen batteries
Authors: Wang Qianyan , Wu Minsheng , Xu Yunkai , Li Chuyue , Rong Yuanjia , Liao Yaling , Gao Menglin , Zhang Xiaoping , Chen Weirong , Lu Jun 
Published: May 2024

AbstractLithium metal shows a great advantage as the most promising anode for its unparalleled theoretical specific capacity and extremely low electrochemical potential. However, uncontrolled lithium dendrite growth and severe side reactions of the reactive intermediates and organic electrolytes still limit the broad application of lithium metal batteries. Herein, we propose 4‐nitrobenzenesulfonyl fluoride (NBSF) as an electrolyte additive for forming a stable organic–inorganic hybrid solid electrolyte interphase (SEI) layer on the lithium surface. The abundance of lithium fluoride and lithium nitride can guarantee the SEI layer's toughness and high ionic conductivity, achieving dendrite‐free lithium deposition. Meanwhile, the phenyl group of NBSF significantly contributes to both the chemical stability of the SEI layer and the good adaptation to volume changes of the lithium anode. The lithium–oxygen batteries with NBSF exhibit prolonged cycle lives and excellent cycling stability. This simple approach is hoped to improve the development of the organic–inorganic SEI layer to stabilize the lithium anodes for lithium–oxygen batteries.
Autothermal Oxidative Coupling of Methane over Pt/Al2O3 Catalysts Doped with Rare Earth Oxides
Authors: Schardt Sven , Ehrlich Felix , Lott Patrick 
Published: May 2024

AbstractThe effect of rare earth oxides as dopants on the Pt‐governed oxidative coupling of methane (Pt‐OCM) is investigated. The addition of 20 wt.‐% of La‐, Nd‐, Sm‐, and Pr‐oxides to the support benefits the C2 product selectivity and offers the potential to enhance the catalyst stability. Compared to the reference catalyst Pt/Al2O3, the addition of Sm2O3 increased the total selectivity by up to 23 %. Furthermore, La2O3 addition was found beneficial with respect to the (thermal) stability of the catalyst. Dopant content variations uncovered that the catalyst formulation with 20 wt.‐% La2O3 represents an optimum regarding performance and stability.
Protein Grafting Techniques: From Peptide Epitopes to Lasso‐Grafted Neobiologics
Authors: Imai Mikio , Colas Kilian , Suga Hiroaki 
Published: May 2024

AbstractProtein engineering techniques have vastly expanded their domain of impact, notably following the success of antibodies. Likewise, smaller peptide therapeutics have carved an increasingly significant niche for themselves in the pharmaceutical landscape. The concept of grafting such peptides onto larger protein scaffolds, thus harvesting the advantages of both, has given rise to a variety of protein engineering strategies that are reviewed herein. We also describe our own “Lasso‐Grafting” approach, which combines traditional grafting concepts with mRNA display to streamline the production of multiple grafted drug candidates for virtually any target.
Utilizing a Carbazole‐Incorporated Regioisomeric Synthesis Strategy to Design Hole Transporting Materials for Perovskite Solar Cells
Authors: Yeşil Tamer , Mutlu Adem , Başak Turgut Sevdiye , Gültekin Burak , Zafer Ceylan 
Published: May 2024

AbstractTwo new p‐type molecules, namely TAT‐TY3 and TAT‐TY4, featuring triazatruxene endcaps and carbazole π‐bridges, were synthesized. The photophysical and electrochemical properties of synthesized materials were comparatively investigated based on their 2,7‐ and 3,6‐carbazole conjugation pathways. Optical characterizations revealed the impact of non‐bonding electron delocalization of triazatruxene through carbazole moieties, resulting in a significant increase in absorption intensity corresponding to n‐π* energy transitions and a red shift of triazatruxene moieties. Consequently, the optical band gaps of TAT‐TY3 and TAT‐TY4 were measured at 3.0 and 3.2 eV, respectively. Moreover, the molecules′ first oxidation potentials exhibited a drastic difference due to the electrochemical behavior of 2,7‐ and 3,6‐carbazole moieties. The highest occupied molecular orbital (HOMO) level for TAT‐TY3 was measured to be −5.02 eV, while for TAT‐TY4, it was measured as −4.67 eV. Hole‐extraction properties were explored using steady‐state and time‐resolved photoluminescence spectroscopy, revealing enhanced charge transfer between the TAT‐TY3/Perovskite interface due to the better alignment of HOMO energy levels. The photovoltaic performances of the hole‐transporting materials (HTMs) were successfully characterized in triple‐cation perovskite solar cells and efficiencies of up to 17.9 %, 16.2 %, and 9.8 % were achieved for Spiro‐OMeTAD, TAT‐TY3, and TAT‐TY4, respectively.
Disturbance sensitivity shapes patterns of tree species distribution in Afrotropical lowland rainforests more than climate or soil
Authors: Núñez Chase L. , Clark James S. , Poulsen John R. 
Published: May 2024

AbstractUnderstanding how tropical forests respond to abiotic environmental changes is critical for preserving biodiversity, mitigating climate change, and maintaining ecosystem services in the coming century. To evaluate the relative roles of the abiotic environment and human disturbance on Central African tree community composition, we employ tree inventory data, remotely sensed climatic data, and soil nutrient data collected from 30 1‐ha plots distributed across a large‐scale observational experiment in forests that had been differently impacted by logging and hunting in northern Republic of Congo. We show that the composition of Afrotropical plant communities at this scale responds to human disturbance more than to climate, with particular sensitivities to hunting and distance to the nearest village (a proxy for other human activities, including tree‐cutting and gathering). These findings contrast neotropical predictions, highlighting the unique ecological, evolutionary, and anthropogenic history of Afrotropical forests.
Effect of process parameters on the roughness and tensile behavior of parts manufactured by the metals LPBF process
Authors: Correa‐Gómez Erasmo , Castro‐Espinosa Homero , Caballero‐Ruiz Alberto , García‐López Erika , Ruiz‐Huerta Leopoldo 
Published: May 2024

AbstractThe laser powder bed fusion process for metals (LPBF‐M) results in the development of stochastic surface features that significantly influence the interactions between parts and their surrounding environment, as well as their mechanical properties. The process parameters influence the surface quality, which is quantified by the surface roughness. Therefore, customizing the surface roughness during the build process can significantly contribute to obtaining ready‐to‐use parts, reducing the need for extensive surface posttreatments. This paper utilizes theoretical estimations of melt pool depth under iso‐linear energy density, iso‐power, and iso‐temperature manufacturing process parameter conditions. These estimations are then compared with experimental evaluations of surface roughness and tensile strength in upright‐built specimens to extract the trends in terms of the input energy versus roughness, and the input energy versus tensile behavior. The results show that iso‐energy values yield similar roughnesses due to the consistent expected melt pool depth. Moreover, an increase in melt pool depth generates higher surface roughness, while smaller melt pool dimensions result in improved roughness. Additionally, a comparison between the melt pool size and tensile test performance reveals a detrimental impact on the tensile strength for specimens estimated to have smaller melt pool depths.