bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrophilic Conjugated Polymers for Sustainable Fabrication of Deep‐Red Light‐Emitting Electrochemical Cells
Authors: Filate Tadele T. , Tang Shi , Genene Zewdneh , Edman Ludvig , Mammo Wendimagegn , Wang Ergang 
Published: December 2023

AbstractIt is crucial to develop functional electronic materials that can be processed from green solvents to achieve environmentally sustainable and cost‐efficient printing fabrication of organic electronic devices. Here, the design and cost‐efficient synthesis of two hydrophilic and emissive conjugated polymers, TQ‐OEG and TQ2F‐OEG, are presented, which are rendered hydrophilic through the grafting of oligo(ethylene glycol) (OEG) solubilizing groups onto the thiophene‐quinoxaline conjugated backbone and thereby can be processed from a water:ethanol solvent mixture. The results show that the introduction of the OEG groups enables for a direct dissolution of salts by the neat polymer for the attainment of solid‐state ion mobility. These properties are utilized for the design and development of light‐emitting electrochemical cells (LECs), the active materials of which can be solution cast from a water:ethanol‐based ink. It is specifically shown that such an LEC device, comprising an optimized blend of the TQ2F‐OEG emitter and a Li salt as the active material positioned between two air‐stabile electrodes, delivers deep‐red emission (peak wavelength = 670 nm) with a radiance of 185 µW m−2 at a low drive voltage of 2.3 V. This study contributes relevant information as to how polymers and LEC devices can be designed and fabricated to combine functionality with sustainability.
Scalable Carbon Black‐Enabled Membranes for Sustainable Solar Membrane Desalination
Authors: Chou Ting‐Hsun , Thomas Joy , Liou Yun‐Ke , Liu Cheng‐Liang , Tung Kuo‐Lun 
Published: December 2023

AbstractSolar energy is used worldwide for generating electricity or desalting seawater. Photothermal membrane distillation (PMD), an emerging thermal‐driven process for seawater desalination, combines interfacial heating with membrane distillation (MD) technology to address the energy consumption issues of conventional MD. However, it is still a great challenge to develop a cost‐effective and scalable membrane, which hampers the practical use of PMD. Herein, a dual‐layer carbon black (CB)/PVDF membrane is prepared via direct electrospraying on a commercial PVDF membrane. With the introduction of a functional layer, a photothermal effect is imparted to the bare membrane, thus significantly increasing the water production rate and solar utilization efficiency (SUE) during exposure to artificial sunlight (≈57% enhancement and 72% SUE under 1 sun). In addition to the outstanding photothermal properties, this functional layer also served as a passivation coating to synergistically reduce the crystallization rate and physical binding of inorganic salts on the modified membrane without adding hazardous chemicals or using laborious steps. This multifunctional coated membrane and fast‐growing solar desalination technology provides a promising solution to the water crisis, especially in off‐grid areas where energy and resources are both relatively insufficient.
Ortho‐Substituent Effects on Halogen Bond Geometry for N‐Haloimide⋯2‐Substituted Pyridine Complexes
Authors: Yu Shilin , Rautiainen J. Mikko , Kumar Parveen , Gentiluomo Lorenzo , Ward Jas S. , Rissanen Kari , Puttreddy Rakesh 
Published: December 2023

AbstractThe nature of (imide)N–X⋯N(pyridine) halogen‐bonded complexes formed by six N‐haloimides and sixteen 2‐substituted pyridines are studied using X‐ray crystallography (68 crystal structures), Density Functional Theory (DFT) (86 complexation energies), and NMR spectroscopy (90 association constants). Strong halogen bond (XB) donors such as N‐iodosuccinimide form only 1:1 haloimide:pyridine crystalline complexes, but even stronger N‐iodosaccharin forms 1:1 haloimide:pyridine and three other distinct complexes. In 1:1 haloimide:pyridine crystalline complexes, the haloimide's N─X bond exhibits an unusual bond bending feature that is larger for stronger N‐haloimides. DFT complexation energies (ΔEXB) for iodoimide–pyridine complexes range from −44 to −99 kJ mol−1, while for N‐bromoimide–pyridine, they are between −31 and −77 kJ mol−1. The ΔEXB of I⋯N XBs in 1:1 iodosaccharin:pyridine complexes are the largest of their kind, but they are substantially smaller than those in [bis(saccharinato)iodine(I)]pyridinium salts (−576 kJ mol−1), formed by N‐iodosaccharin and pyridines. The NMR association constants and ΔEXB energies of 1:1 haloimide:pyridine complexes do not correlate as these complexes in solution are heavily influenced by secondary interactions, which DFT studies do not account for. Association constants follow the σ‐hole strengths of N‐haloimides, which agree with DFT and crystallography data. The haloimide:2‐(N,N‐dimethylamino)pyridine complex undergoes a halogenation reaction resulting in 5‐iodo‐2‐dimethylaminopyridine.
Field‐Free Spin‐Orbit Torque Driven Perpendicular Magnetization Switching of Ferrimagnetic Layer Based on Noncollinear Antiferromagnetic Spin Source
Authors: Meng Dequan , Chen Shiwei , Ren Chuantong , Li Jiaxu , Lan Guibin , Li Chaozhong , Liu Yong , Su Yurong , Yu Guoqiang , Chai Guozhi , Xiong Rui , Zhao Weisheng , Yang Guang , Liang Shiheng 
Published: December 2023

AbstractThe utilization of novel noncollinear antiferromagnetic materials holds great promise for the development of energy‐efficient spintronic devices. However, only a few studies have reported on the all‐electrical control of perpendicular magnetization switching using noncollinear antiferromagnets as the spin source, and the underlying mechanism behind the unconventional spin‐orbit torque (SOT) is still a topic of debate. In this work, deterministic perpendicular magnetization switching in Mn3Sn/CoTb bilayers is successfully achieved. Compared to the control samples with heavy metal as the spin source, the critical switching current density is over one order of magnitude reduced, indicating an enhanced efficiency of the out‐of‐plane charge‐to‐spin conversion in the textured Mn3Sn films. The influence of film thickness and growth temperature on the efficiency of different spin polarizations suggests potential roles of crystal quality and spin texture in spin diffusion with different spin polarization directions. These findings provide valuable insights into the crystal structure, spin‐orbit torque effects, and charge‐to‐spin conversion in Mn3Sn films, highlighting the importance of understanding interface and bulk contributions in antiferromagnetic spin transport phenomena.
74 µm PEEK‐Reinforced Sulfonated Poly(phenylene sulfone)‐Membrane for Stable Water Electrolysis with Lower Gas Crossover and Lower Resistance than Nafion N115
Authors: Qelibari Regina , Ortiz Edgar Cruz , van Treel Niklas , Lombeck Florian , Schare Clara , Münchinger Andreas , Dumbadze Nodar , Titvinidze Giorgi , Klose Carolin , Vierrath Severin 
Published: December 2023

AbstractPolymer electrolyte membrane (PEM) water electrolysis is a crucial technology for green hydrogen production. Hydrocarbon membranes are drawing a lot of attention due to potentially superior properties and the fact that common fluorinated polymers might face a potential ban. This study introduces a sulfonated poly(phenylene sulfone) (sPPS) membrane, reinforced with a poly(ether‐ether‐ketone) (PEEK) mesh. The reinforced membrane induces a drastic increase in dimensional stability, enabling direct anode casting—an essential step toward industrial manufacturing. It further exhibits a significant reduction in water uptake (115% vs 294% for pure sPPS) and a 40% lower H2‐crossover (0.18 mA cm−2) compared to the industry standard N115 (0.31 mA cm−2). Due to the lower thickness (74 vs 127 µm) and higher ion exchange capacity (IEC)(1.92 vs 0.89 mmol g−1), the PEEK‐sPPS membrane displays a substantially lower resistance (70 vs 159 mΩ cm2 for N115). This directly translates into a voltage reduction of ≈90 mV at 1 A cm−2 or ≈180 mV at 2 A cm−2, both typical operating current densities. Finally, PEEK‐sPPS exhibits the longest lifetime shown for hydrocarbon membranes with almost 650 h at 1 A cm−2 and a low degradation rate (80 µV h−1).
Cause, severity, and efficacy of treatment for hearing loss in children with Trisomy 18: A single institution‐based retrospective study
Authors: Sato Ririko , Yoshimura Hidekane , Kosho Tomoki , Takumi Yutaka 
Published: December 2023

AbstractTrisomy 18 is a common chromosomal aberration syndrome, characterized by variable clinical manifestations, including cardiovascular, pulmonary, genitourinary, and musculoskeletal findings, leading to a shorter survival and severe developmental delay in survivors. However, recently, intensive therapeutic intervention has allowed for prolonging survival. In terms of otological complications, only a limited number of relevant reports have been published. To demonstrate the characteristic of hearing loss (HL) in children with Trisomy 18, we retrospectively evaluated 22 patients (44 ears) by comprehensive auditory evaluation with the auditory steady‐state response (ASSR) test and temporal bone computed tomography (CT). ASSR revealed that 20 patients (91%) had bilateral moderate to profound HL, more frequent and severe than that in Trisomy 21; among 42 ears having HL, 12 ears (29%) had conductive HL, and 26 ears (62%) had mixed HL. CT scans of 38 ears revealed that 34 ears (89%) had an external and middle ear malformation. Hearing aids (HA) were fitted in 17 patients (air and bone‐conduction HAs). The threshold hearing with HA was improved in all of them. Accurate otological evaluation using ASSR and CT and intervention by HAs could be a feasible choice for children with Trisomy 18.
SO2ClF‐Promoted Chlorooxidation of Tryptamine Derivatives: Synthesis of 3,3‐Disubstituted Oxindoles
Authors: Zheng Yu , Lu Wenguang , Ma Tianting , Huang Shenlin 
Published: December 2023

AbstractA series of tryptamine derivatives were transformed into their corresponding 3‐chloro‐2‐oxidation products under simple and mild conditions. This protocol is an operationally simple system that utilizes a single reagent SO2ClF plays a dual role as both oxidant and chloride source and enables the construction of various 3,3‐disubstituted oxindoles with good functional group tolerance. The transformations of the product highlight its potential synthetic applications.
The Design of a Participatory Peptide Nucleic Acid Duplex Crosslinker to Enhance the Stiffness of Self‐Assembled Peptide Gels
Authors: Sarkar Srijani , Anderson Caleb F. , Schneider Joel P. 
Published: December 2023

AbstractHerein, peptide nucleic acids (PNAs) are employed in the design of a participatory duplex PNA‐peptide crosslinking agent. Biophysical and mechanical studies show that crosslinkers present during peptide assembly leading to hydrogelation participate in the formation of fibrils while simultaneously installing crosslinks into the higher‐order network that constitutes the peptide gel. The addition of 2 mol % crosslinker into the assembling system results in a ~100 % increase in mechanical stiffness without affecting the rate of peptide assembly or the local morphology of fibrils within the gel network. Stiffness enhancement is realized by only affecting change in the elastic component of the viscoelastic gel. A synthesis of the PNA‐peptide duplex crosslinkers is provided that allows facile variation in peptide composition and addresses the notorious hydrophobic content of PNAs. This crosslinking system represents a new tool for modulating the mechanical properties of peptide‐based hydrogels.
Co‐aggregation as A Simple Strategy for Preparing Fluorogenic Tetrazine Probes with On‐Demand Fluorogen Selection**
Authors: Segawa Shinsuke , Wu Jiajie , Kwok Ryan T. K. , Wong Terence T. W. , He Xuewen , Tang Ben Zhong 
Published: December 2023

AbstractLife science has progressed with applications of fluorescent probes—fluorophores linked to functional units responding to biological events. To meet the varied demands across experiments, simple organic reactions to connect fluorophores and functional units have been developed, enabling the on‐demand selection of fluorophore‐functional unit combinations. However, organic synthesis requires professional equipment and skills, standing as a daunting task for life scientists. In this study, we present a simple, fast, and convenient strategy for probe preparation: co‐aggregation of hydrophobic molecules. We focused on tetrazine—a difficult‐to‐prepare yet useful functional unit that provides effective bioorthogonal reactivity and strong fluorogenicity. Simply mixing the tetrazine molecules and aggregation‐induced emission (AIE) luminogens in water, co‐aggregation is induced, and the emission of AIE luminogens is quenched. Subsequent click reaction bioorthogonally turns on the emission, identifying these coaggregates as fluorogenic probes. Thanks to this bioorthogonal fluorogenicity, we established a new time‐gated fluorescence bioimaging technique to distinguish overlapping emission signals, enabling multi‐organelle imaging with two same‐color fluorophores. Our study showcases the potential of this co‐aggregation method for the on‐demand preparation of fluorescent probes as well as protocols and molecular design principles in this approach, offering an effective solution to evolving needs in life science research.
Partially Ion‐Paired Solvation Structure Design for Lithium‐Sulfur Batteries under Extreme Operating Conditions
Authors: Cai Guorui , Gao Hongpeng , Li Mingqian , Gupta Varun , Holoubek John , Pascal Tod A. , Liu Ping , Chen Zheng 
Published: December 2023

AbstractAchieving increased energy density under extreme operating conditions remains a major challenge in rechargeable batteries. Herein, we demonstrate an all‐fluorinated ester‐based electrolyte comprising partially fluorinated carboxylate and carbonate esters. This electrolyte exhibits temperature‐resilient physicochemical properties and moderate ion‐paired solvation, leading to a half solvent‐separated and half contact‐ion pair in a sole electrolyte. As a result, facile desolvation and preferential reduction of anions/fluorinated co‐solvents for LiF‐dominated interphases are achieved without compromising ionic conductivity (>1 mS cm−1 even at −40 °C). These advantageous features were found to apply to both lithium metal and sulfur‐based electrodes even under extreme operating conditions, allowing stable cycling of Li || sulfurized polyacrylonitrile (SPAN) full cells with high SPAN loading (>3.5 mAh cm−2) and thin Li anode (50 μm) at −40, 23 and 50 °C. This work offers a promising path for designing temperature‐resilient electrolytes to support high energy density Li metal batteries operating in extreme conditions.
The role and mechanism of temporary blocked isocyanate at interface between polyethylene terephthalate high‐strength fibers and activation oil
Authors: Zheng Xiong , Shi Qiang , Zhang Xuzhen , Huang Wenjian , Zhang Zhou , Ding Bona 
Published: December 2023

AbstractIn this paper, activation oil added with temporary blocked isocyanate was chosen to enhance interfacial adhesion in polyethylene terephthalate (PET) high‐strength fibers reinforced rubber via one‐step dipping method, in which the temporary blocked isocyanate could be activated during vulcanization process of rubber. The effect of isocyanate in enhancing adhesion between PET high‐strength fibers and rubber was explored. The amount of residual resorcinol formaldehyde latex on the surface of fibers and H‐extraction force of PET high‐strength fibers reinforced rubber are both obviously increased with 5% activation oil addition especially containing 2% isocyanate. After peeling fibers from composite rubber, the amount of residual rubber on the surface of fibers with activation oil is increased, which is even higher when further adding temporary blocked isocyanate. Based on the results of infrared spectra and nuclear magnetic resonance carbon spectra, the added isocyanate is confirmed to bond with the PET component most likely through reacting with the terminal hydroxyl groups on the surface of PET fibers. This interface reinforcement strategy based on one‐step dipping method will contribute to studies on PET high‐strength fibers reinforced rubber.
A Linear Two‐Coordinate Cr(II) Complex: Synthesis, Characterization, and Reactivity
Authors: Hsiao Kai‐Chin , Yang Po‐Chun , Fang Chia‐Te , Liu Hsin‐Kuan , Lin Chun‐Yi 
Published: December 2023

AbstractThe synthesis and characterization of a linear two‐coordinate Cr(II) amido complex, Cr{N(tBu)Dipp}2 (Dipp=2,6‐diisopropylphenyl), from the reaction of 1 molar equivalent (equiv) of CrCl2 and 2 equiv. of LiN(tBu)Dipp is reported. Single‐crystal X‐ray diffractometry (SC‐XRD) analysis revealed that it has a short Cr−N bond distance of 1.8878(9) Å, which could be attributed to the relatively less bulky nature of the amido ligand compared with reported systems. Furthermore, the oxidation reaction of the two‐coordinate Cr(II) complex was explored. The oxidation reaction of Cr{N(tBu)Dipp}2 with the one‐electron oxidants AgOTf and [FeCp2][BArF4] (BArF4−=[B{C6H3−3,5‐(CF3)2}4]−) afforded the trigonal planar three‐ and bent two‐coordinate Cr(III) complexes Cr{N(tBu)Dipp}2(OTf) and [Cr{N(tBu)Dipp}2][BArF4], respectively. The reaction of Cr{N(tBu)Dipp}2 with 1 equiv. of the organic azides AdN3 (Ad=1‐adamantyl) and PhN3 afforded the three‐coordinate Cr(IV) imido complexes Cr{N(tBu)Dipp}2(NAd) and Cr{N(tBu)Dipp}2(NPh), respectively. The reaction of Cr{N(tBu)Dipp}2 and two equiv. of Me3NO afforded the Cr(VI) dioxo complex Cr{N(tBu)Dipp}2(O)2. The reaction of Cr{N(tBu)Dipp}2 with 1 equiv. of CyN=C=NCy resulted in the insertion of the carbodiimide into the Cr−N bond, with the formation of a three‐coordinate Cr(II) complex. Finally, density functional theory (DFT) calculations were used to elucidate the electronic structure of these complexes.
Impact of Formulation and Slurry Properties on Lithium‐ion Electrode Manufacturing
Authors: Reynolds Carl , Faraji Niri Mona , Hidalgo Marc Francis , Heymer Robert , Román Luis , Alsofi Giar , Khanom Halima , Pye Ben , Marco James , Kendrick Emma 
Published: December 2023

AbstractThe characteristics and performance of lithium‐ion batteries typically rely on the precise combination of materials in their component electrodes. Understanding the impact of this formulation and the interdependencies between each component is critical in optimising cell performance. Such optimisation is difficult as the cost and effort for the myriad of possible combinations is too high. This problem is addressed by combining a design of experiments (DoE) and advanced statistical machine learning approach with comprehensive experimental characterisation of electrode slurries and coatings. An industry relevant graphite anode system is used, and with the aid of DoE, less than 30 experiments are defined to map impact of different weight fractions of active material (80–96 wt%), conductive additive (Carbon Black at 1–10 wt%) and a two‐component binder system (Carboxymethyl Cellulose (CMC) at 1–3 wt% and Styrene Butadiene Rubber (SBR), at 1–7 wt%). Using Explainable Machine Learning (XML) methods, correlations between the formulation, slurry weight percentage (30–50 wt% in water) and coating speed (1–15 m/min) are quantified. Slurry viscosity, while known to depend on the CMC concentration, is also heavily influenced by carbon black and SBR when at high concentration, as is common in research. Viscosity increasing components also improve adhesion, by improving dispersion and hindering binder migration. Conductivity of the coating on current collector is sensitive to the current collector‐coating interface, which makes it a highly useful probe. Improvements in cell capacity are observed with higher viscosity formulations (High weight percentage, CMC content), attributed to reduction in migration and slumping of the slurry on the current collector. SBR had a negative impact at any concentration due to its insulating nature, and carbon black reduces gravimetric capacity when included at high concentrations. The insights from this study facilitate the formulation optimisation of electrodes providing improved slurry design rules for future high performance electrode manufacturing.
Diversity and functional specialization of H3K9‐specific histone methyltransferases
Authors: Koryakov Dmitry E. 
Published: December 2023

AbstractHistone modifications play a critical role in the control over activities of the eukaryotic genome; among these chemical alterations, the methylation of lysine K9 in histone H3 (H3K9) is one of the most extensively studied. The number of enzymes capable of methylating H3K9 varies greatly across different organisms: in fission yeast, only one such methyltransferase is present, whereas in mammals, 10 are known. If there are several such enzymes, each of them must have some specific function, and they can interact with one another. Thus arises a complex system of interchangeability, “division of labor,” and contacts with each other and with diverse proteins. Histone methyltransferases specialize in the number of methyl groups that they attach and have different intracellular localizations as well as different distributions on chromosomes. Each also shows distinct binding to different types of sequences and has a specific set of nonhistone substrates.
Robust incorporation of historical information with known type I error rate inflation
Authors: Calderazzo Silvia , Wiesenfarth Manuel , Kopp‐Schneider Annette 
Published: December 2023

AbstractBayesian clinical trials can benefit from available historical information through the specification of informative prior distributions. Concerns are however often raised about the potential for prior‐data conflict and the impact of Bayes test decisions on frequentist operating characteristics, with particular attention being assigned to inflation of type I error (TIE) rates. This motivates the development of principled borrowing mechanisms, that strike a balance between frequentist and Bayesian decisions. Ideally, the trust assigned to historical information defines the degree of robustness to prior‐data conflict one is willing to sacrifice. However, such relationship is often not directly available when explicitly considering inflation of TIE rates. We build on available literature relating frequentist and Bayesian test decisions, and investigate a rationale for inflation of TIE rate which explicitly and linearly relates the amount of borrowing and the amount of TIE rate inflation in one‐arm studies. A novel dynamic borrowing mechanism tailored to hypothesis testing is additionally proposed. We show that, while dynamic borrowing prevents the possibility to obtain a simple closed‐form TIE rate computation, an explicit upper bound can still be enforced. Connections with the robust mixture prior approach, particularly in relation to the choice of the mixture weight and robust component, are made. Simulations are performed to show the properties of the approach for normal and binomial outcomes, and an exemplary application is demonstrated in a case study.