bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ions Transport in Electrochemical Energy Storage Devices at Low Temperatures
Authors: Sun Yinglun , Liu Bao , Liu Lingyang , Yan Xingbin 
Published: December 2021

AbstractThe operation of electrochemical energy storage (EES) devices at low temperatures as normal as at room temperature is of great significance for their low‐temperature environment application. However, such operation is plagued by the sluggish ions transport kinetics, which leads to the severe capacity decay or even failure of devices at low‐temperature conditions. In this review, the difficulties of ions transport in electrolyte, electrolyte/electrode interface, and electrode material at low temperatures are discussed in depth, and the reported strategies to solve the corresponding problems are surveyed subsequently. Finally, the views on how to build high‐performance low‐temperature‐available EES devices as well as their development directions are put forward.
Regulating Polysulfide Redox Kinetics on a Self‐Healing Electrode for High‐Performance Flexible Lithium‐Sulfur Batteries
Authors: Gao Runhua , Zhang Qi , Zhao Yun , Han Zhiyuan , Sun Chongbo , Sheng Jinzhi , Zhong Xiongwei , Chen Biao , Li Chuang , Ni Shuyan , Piao Zhihong , Li Baohua , Zhou Guangmin 
Published: December 2021

AbstractWearable electronics require lightweight and flexible batteries, of which lithium‐sulfur (Li‐S) batteries are of great interest due to their high gravimetric energy density. Nevertheless, flexible Li‐S batteries have unsatisfactory electrochemical performance owing to electrode fracture during repeated bending, the volume change of sulfur species and the severe shuttle effect. Binders play essential roles in these batteries but have always lacked attention. Herein, a self‐healing polyvinylpyrrolidone‐polyethyleneimine (PVP‐PEI) binder cross‐linked by hydrogen bonds, which also regulates polysulfide redox kinetics, is reported. The dynamic hydrogen‐bonding networks repair the cracks and ensure the integrity of the electrode while numerous polar groups such as CO and ‐NH2 suppress the shuttle effect by immobilizing polysulfides. Therefore, Li‐S batteries with the PVP‐PEI binder exhibit excellent cycling stability (a capacity decay rate of 0.0718% per cycle at 1 C after 450 cycles), an outstanding areal capacity of 7.67 mAh cm−2 even under a high sulfur loading (7.1 mg cm−2) and relatively lean electrolyte conditions (E/S ratio = 8 µL mg−1). Flexible Li‐S pouch cells using the PVP‐PEI binder show a stable performance for 140 cycles and a favorable capacity retention of over 95% after 2800 bending cycles, confirming its application potential in high‐performance flexible Li‐S batteries.
First‐Principles Calculation Design for 2D Perovskite to Suppress Ion Migration for High‐Performance X‐ray Detection
Authors: Zhang Bobo , Xu Zhuo , Ma Chuang , Li Haojin , Liu Yucheng , Gao Lili , Zhang Jing , You Jiaxue , Liu Shengzhong (Frank) 
Published: December 2021

AbstractIon migration is a key root‐cause of photocurrent instability in perovskite X‐ray detectors. Although 2D perovskite single crystal (PSC) is a good candidate to suppress ion migration compared with its 3D counterpart, its intrinsic stability still needs to be improved. In this work, it is first envisioned to conquer the ion migration by enhanced chemical bonding; the proposal is further confirmed by density functional theory calculations, in which the bonds are made stronger by introducing a fluorine atom into the ortho position of phenethylamine (o‐F‐PEA) to shorten the distance between adjacent organic cations in the crystal lattice for enhanced electrostatic interactions between the F atom and the neighboring benzene ring. It is further demonstrated experimentally that the activation energy for ion migration (AEIM) of (o‐F‐PEA)2PbI4 PSC is increased compared with that of (PEA)2PbI4 PSC. The improved AEIM is also confirmed by enhanced thermal stability. Consequently, the dark current in the (o‐F‐PEA)2PbI4 2D PSC X‐ray detectors is reduced by two times compared with the (PEA)2PbI4 reference. Furthermore, the detector shows the sensitivity of 1724.5 μC Gyair−1 cm−2 at 1250 V mm−1, and much improved photocurrent stability.
Machine Learning Guided Dopant Selection for Metal Oxide‐Based Photoelectrochemical Water Splitting: The Case Study of Fe2O3and CuO
Authors: Wang Zhiliang , Gu Yuang , Zheng Lingxia , Hou Jingwei , Zheng Huajun , Sun Shijing , Wang Lianzhou 
Published: December 2021

AbstractDoping is an effective strategy for tuning metal oxide‐based semiconductors for solar‐driven photoelectrochemical (PEC) water splitting. Despite decades of extensive research effort, the dopant selection is still largely dependent on a trial‐and‐error approach. Machine learning (ML) is promising in providing predictable insights on the dopant selection for high‐performing PEC systems because it can uncover correlations from the seemingly ambiguous linkages between vast features of dopants and the PEC performance of doped photoelectrodes. Herein, the authors successfully build ML model to predict the doping effect of 17 metal dopants into hematite (Fe2O3), a prototype photoelectrode material. Their findings disclose the critical parameters from the 10 intrinsic features of each dopant. The model is further experimentally validated by the coherent prediction on Y and La dopants’ behaviors. Further interpretation of the ML model suggests that the chemical state is the most significant selection criteria, meanwhile, dopants with higher metal–oxygen bond formation enthalpy and larger ionic radius are favored in improving the charge separation and transfer (CST) in the Fe2O3photoanodes. The generic feature of this ML guided selection criteria has been further extended to CuO‐based photoelectrodes showing improved CST by alkaline metal ions doping.
Rapid Identification of DNA Fragments through Direct Sequencing with Electro‐Optical Zero‐Mode Waveguides
Authors: Farhangdoust Fatemeh , Alibakshi Mohammad Amin , Cheng Feng , Liang Wentao , Liu Yongmin , Wanunu Meni 
Published: December 2021

AbstractIn contrast to sequence‐specific techniques such as polymerase chain reaction, DNA sequencing does not require prior knowledge of the sample for surveying DNA. However, current sequencing technologies demand high inputs for a suitable library preparation, which typically necessitates DNA amplification, even for single‐molecule sequencing methods. Here, electro‐optical zero‐mode waveguides (eZMWs) are presented, which can load DNA into the confinement of zero‐mode waveguides with high efficiency and negligible DNA fragment length bias. Using eZMWs, highly efficient voltage‐induced loading of DNA fragments of various sizes from ultralow inputs (nanogram‐to‐picogram levels) is observed. Rapid DNA fragment identification is demonstrated by burst sequencing of short and long DNA molecules (260 and 20 000 bp) loaded from an equimolar picomolar‐level concentration mixture in just a few minutes. The device allows further studies in which low‐input DNA capture is essential, for example, in epigenetics, where native DNA is required for obtaining modified base information.
Structural Color Production in Melanin‐Based Disordered Colloidal Nanoparticle Assemblies in Spherical Confinement
Authors: Patil Anvay , Heil Christian M. , Vanthournout Bram , Bleuel Markus , Singla Saranshu , Hu Ziying , Gianneschi Nathan C. , Shawkey Matthew D. , Sinha Sunil K. , Jayaraman Arthi , Dhinojwala Ali 
Published: December 2021

AbstractMelanin is a ubiquitous natural pigment that exhibits broadband absorption and high refractive index. Despite its widespread use in structural color production, how the absorbing material, melanin, affects the generated color is unknown. Using a combined molecular dynamics and finite‐difference time‐domain computational approach, this paper investigates structural color generation in one‐component melanin nanoparticle‐based supraparticles (called supraballs) as well as binary mixtures of melanin and silica (nonabsorbing) nanoparticle‐based supraballs. Experimentally produced one‐component melanin and one‐component silica supraballs, with thoroughly characterized primary particle characteristics using neutron scattering, produce reflectance profiles similar to the computational analogs, confirming that the computational approach correctly simulates both absorption and multiple scattering from the self‐assembled nanoparticles. These combined approaches demonstrate that melanin's broadband absorption increases the primary reflectance peak wavelength, increases saturation, and decreases lightness factor. In addition, the dispersity of nanoparticle size more strongly influences the optical properties of supraballs than packing fraction, as evidenced by the production of a larger range of colors when size dispersity is varied versus packing fraction. For binary melanin and silica supraballs, the chemistry‐based stratification allows for more diverse color generation and finer saturation tuning than does the degree of mixing/demixing between the two chemistries.
Fabrication Strategies and Optoelectronic Applications of Perovskite Heterostructures
Authors: Cheng Xiaohua , Han Ying , Cui Bin‐Bin 
Published: December 2021

AbstractMetal halide perovskites (MHPs) are emerging low‐cost and multifunctional semiconductor materials. They have been widely used in optoelectronic devices such as perovskite solar cells, light‐emitting diodes, photodetectors, memristors, and lasers. Developing new MHPs, defects passivation, optimizing device structures, and packaging techniques are all effective methods to improve photoelectric performance and stability of perovskite devices. Particularly, the fabrication of perovskite/perovskite heterostructures (PPHSs) is a novel and arresting method to obtain stable and high‐performing optoelectronic perovskite devices since it can passivate defects, regulate energy gaps, and provide new carrier transmission modes of MHPs for multiple semiconductor applications. In this paper, representative fabrication strategies of PPHSs including films and single‐crystal heterostructures are reviewed, and their applications in optoelectronic devices are summarized. Furthermore, the challenges and prospects of PPHSs are discussed based on the current status.
Quantifying Polaron Mole Fractions and Interpreting Spectral Changes in Molecularly Doped Conjugated Polymers
Authors: Moulé Adam J. , Gonel Goktug , Murrey Tucker L. , Ghosh Raja , Saska Jan , Shevchenko Nikolay E. , Denti Ilaria , Fergerson Alice S. , Talbot Rachel M. , Yacoub Nichole L. , Mascal Mark , Salleo Alberto , Spano Frank C. 
Published: December 2021

AbstractMolecular doping of conjugated polymers causes bleaching of the neutral absorbance and results in new polaron absorbance transitions in the mid and near infrared. Here, the concentration dependent changes in the spectra for a series of molecularly doped diketopyrrolopyrrole (DPP) co‐polymers with a series of ultra‐high electron affinity cyanotrimethylenecyclopropane‐based dopants is analyzed. With these strong dopants the polaron mole fraction (Θ) reaches saturation. Analysis of the full spectrum enables separation of neutral and polaron signals and quantification of the polaron mole fraction using a simple noninteracting site model. The peak ratios for both neutral and polaron peaks change systematically with increasing polaron mole fraction for all measured polymers. Analysis of the spectral changes indicates that the polaron mole fraction can be quantified to within 5%. While the total change in the absorbance spectrum with increasing polaron mole fraction is linear, the lowest energy polaron peak (P1) grows nonlinearly, which indicates increased polarization/delocalization. Molecular doping of polymers that form either H‐ or J‐aggregates shows systematically different spectral changes in the vibronic peak ratios of the neutral spectra and provides insights into the polymer configuration at undoped sites in the film.
Flexible Multiferroic Heterostructure Based on Freestanding Single‐Crystalline BaTiO3 Membranes for Spintronic Devices
Authors: Cheng Yuxin , Li Yaojin , Dong Guohua , Peng Bin , Zhou Ziyao , Liu Ming 
Published: December 2021

AbstractOne of the key concepts in flexible/freestanding spintronics is the effective control of ultra‐thin film magnetism, and at the same time assures that the functional properties will not be compromised when gating methods are applied. Traditionally, strain application is through magnetoelectric effect while using the gate voltage to transfer the strain to the magnetism layer, which can lead the noise in the heterostructure. On the other hand, the knowledge of freestanding magnetism changes largely lacks quantitative analysis. Coupling the freestanding characteristic such as large strain with important magnetic properties can further expand the freestanding spintronics storage area. In this work, the high‐quality freestanding multiferroic heterostructures of SrTiO3(001)/Sr3Al2O6/BaTiO3/Ta/(Co/Pt)5 with different Co thicknesses have been successfully prepared with both pulsed laser deposition and magnetism sputtering processes. The ultra‐flexible freestanding structure shows a strong strain gating effect with bending, that the ferromagnetic resonance (FMR) shifts around 440 Oe at room temperature with tensile strain. Upon decreasing the temperature to BaTiO3 phase transition range from T‐phase to O‐phase and O‐phase to R‐phase, respectively, a sharp FMR shift can be observed for both in‐plane and out‐of‐plane measurements. This work suggests that the tunable flexible spintronics are achievable through freestanding mechanisms and shows the promising future of freestanding spintronics.
An Ultrathin Wideband Microwave Metamaterial Absorber Based on Frequency Selective Surface
Authors: Han Xuefeng , Wang Yonghua , Xu Jinkai , Yu Huadong 
Published: December 2021

AbstractThis article introduces a frequency‐selective surface‐based metamaterial absorber with small thickness and large bandwidth. The structure having an overall thickness of only 2 mm is manufactured on an FR4 substrate, and the size of the repeating unit is 10 mm × 10 mm. When electromagnetic waves incident perpendicularly on the absorber, it has an absorption bandwidth of 8.64 GHz (from 9.16 to 17.8 GHz), covering most of the X‐band and Ku‐band. Results show that the lowest absorption rate reaches 91.5% while the highest is 99.85%, and the full width half maxima (FWHM) bandwidth is 10.5 GHz (from 8.8 to19.3 GHz). Thanks to extensive simulations, the structure is optimized. Furthermore, the electromagnetic parameters εeff and μeff images are drawn to illustrate the absorption mechanism, and the current images of the top and bottom layers are drawn to further support absorption mechanism. Finally, experiments are conducted to verify the absorption capacity of the structure as electromagnetic waves incident perpendicularly.
Optically Induced Picosecond Lattice Compression in the Dielectric Component of a Strongly Coupled Ferroelectric/Dielectric Superlattice
Authors: Sri Gyan Deepankar , Lee Hyeon Jun , Ahn Youngjun , Carson River B. , Carnis Jerome , Kim Tae Yeon , Unithrattil Sanjith , Lee Jun Young , Chun Sae Hwan , Kim Sunam , Eom Intae , Kim Minseok , Park Sang‐Youn , Kim Kyung Sook , Lee Ho Nyung , Jo Ji Young , Evans Paul G. 
Published: December 2021

AbstractAbove‐bandgap femtosecond optical excitation of a ferroelectric/dielectric BaTiO3/CaTiO3 superlattice leads to structural responses that are a consequence of the screening of the strong electrostatic coupling between the component layers. Time‐resolved X‐ray free‐electron laser diffraction shows that the structural response to optical excitation includes a net lattice expansion of the superlattice consistent with depolarization‐field screening driven by the photoexcited charge carriers. The depolarization‐field‐screening‐driven expansion is separate from a photoacoustic pulse launched from the bottom electrode on which the superlattice is epitaxially grown. The distribution of diffracted intensity of superlattice X‐ray reflections indicates that the depolarization‐field‐screening‐induced strain includes a photoinduced expansion in the ferroelectric BaTiO3 and a contraction in CaTiO3. The magnitude of expansion in BaTiO3 layers is larger than the contraction in CaTiO3. The difference in the magnitude of depolarization‐field‐screening‐driven strain in the BaTiO3 and CaTiO3 components can arise from the contribution of the oxygen octahedral rotation patterns at the BaTiO3/CaTiO3 interfaces to the polarization of CaTiO3. The depolarization‐field‐screening‐driven polarization reduction in the CaTiO3 layers points to a new direction for the manipulation of polarization in the component layers of a strongly coupled ferroelectric/dielectric superlattice.
Craniosynostosis is a feature of Costello syndrome
Authors: Weaver K. Nicole , Care Marguerite , Wakefield Emily , Zarate Yuri A. , Skoch Jesse , Gripp Karen W. , Prada Carlos E. 
Published: December 2021

AbstractCostello syndrome (CS) is an autosomal dominant disorder caused by pathogenic variants in HRAS. Craniosynostosis is a known feature of other RASopathies (Noonan and cardiofaciocutaneous syndromes) but not CS. We describe four individuals with CS and craniosynostosis and present a summary of all previously reported individuals with craniosynostosis and RASopathy.
Synthesis, spectroscopic, theoretical and biological evaluation of novel Schiff base complexes of divalent transition metals
Authors: Singh Kiran , Siwach Preeti 
Published: December 2021

AbstractIn the present manuscript, a new series of triazole‐based Schiff base, (E)‐4‐((3‐fluoro‐4‐methoxybenzylidene)amino)‐5‐propyl‐4H‐1,2,4‐triazole‐3‐thiol (FMBT) and its metal complexes with divalent cobalt, nickel, copper, zinc and palladium are prepared and investigated for biological activities. The structural assignments of all the synthesized ligand and its metal complexes were done using different spectral methods like mass, infrared (IR), 1H‐NMR, elemental analysis, electron spin resonance (ESR) and ultraviolet (UV)–visible. The magnetic properties, fluorescence profile and redox (cyclic voltammetry) behaviour of all the complexes were also investigated. Based on the spectral studies, the octahedral (Co[II], Ni[II] and Zn[II]) and square planar (Cu[II] and Pd[II]) structural environment have been proposed to the metal complexes. The results obtained from thermal and IR data confirmed the presence of coordinated water in metal complexes. The conductance measurements confirmed the non‐electrolytic nature of metal complexes. Density functional theory (DFT)‐based methods were used to ascertain the stability and chemical inertness of the compounds. Various electrostatic properties were also investigated by utilising the value of energy associated with different frontier molecular orbitals. The decomposition behaviour and stability of all the metal complexes was established from different thermodynamical functions calculated using Coats–Redfern method. The bio‐efficacy of bidentate ligand and its complexes was evaluated against a wide spectrum of microbial cultures using Broths dilution method. Among the novel metal complexes Ni (1:2) (minimum inhibitory concentration [MIC] = 62.5 μg ml−1), Cu (1:1) (MIC = 62.5 μg ml−1) and Zn (1:2) (MIC = 12.5 μg ml−1) complexes were found to be more potent against Escherichia coli than the standard drugs.
Production of 11R‐hydroxyeicosatetraenoic acid from arachidonic acid by Escherichia coli cells expressing arachidonate 11R‐lipoxygenase from Nostoc sp.
Authors: Kim Su‐Eun , Kim Tae‐Hun , Kim Min‐Ju , Oh Deok‐Kun 
Published: December 2021

AbstractLinoleate 9R‐lipoxygenase (9R‐LOX) from Nostoc sp. SAG 25.82 was identified as arachidonate (ARA) 11R‐LOX by the determination of the product obtained from the conversion of ARA. The specific activity and catalytic efficiency (kcat/Km) of the enzyme for C20 and C22 polyunsaturated fatty acids followed the order ARA > eicosapentaenoic acid > docosahexaenoic acid. The production of the lipid mediator 11R‐hydroxyeicosatetraenoic acid (11R‐HETE) was performed using Escherichia coli cells expressing ARA 11R‐LOX from Nostoc sp. The reaction conditions, such as pH, temperature, solvent and its concentration, and substrate and cell concentrations, were optimized using the recombinant cells, and the optimal conditions for the production of 11R‐HETE from ARA were pH 7.0, 25°C, 10 g L−1 cells, 5.0 mM ARA, 4% (v/v) ethanol, and 10 mM cysteine as a reducing agent. Under these optimized conditions, E. coli cells expressing 11R‐LOX converted 5.0 mM ARA into 4.74 mM 11R‐HETE in 60 min, with a molar conversion yield of 95% a volumetric productivity of 79 μM min−1 and a specific productivity of 7.9 μM min−1 g−1. To the best of our knowledge, this is the first report on the quantitative biotechnological production of 11R‐HETE.
A comparative study of the oxidation of dopamine in deep eutectic solvents: A potential approach to synthesis polydopamine particles with various shapes, sizes, and compositions
Authors: Shiraz Mina Ghasempour , Absalan Ghodratollah , Tashkhourian Javad 
Published: December 2021

AbstractIn a comparative study, polymerization of dopamine in choline chloride/ethylene glycol (ChCl/EG) as well as ZnCl2/ethylene glycol (ZnCl2/EG), as the deep eutectic solvents (DESs), has been individually studied. To do this, copper sulfate (CS), ammonium peroxydisulfate (AP), and sodium periodate (SP), as the individual oxidants, were also investigated. It is demonstrated that DESs have the potential of being utilized in the preparation of stable suspensions of polydopamine (PDA) particles with various shapes including porous capsules, spongy, and flower‐like structures. It is also shown that the morphology and composition of the produced PDA particles were strongly affected by the chosen DES, the oxidant, and the polymerization time, which can allow a one‐pot synthesis and modification procedure for producing PDA with desired functionality.
Isobavachalcone suppresses the TRIF‐dependent signaling pathway of Toll‐like receptors
Authors: Shin Seokwon , Park Jayeon , Lee Ye Eun , Ko Hanbin , Youn Hyung‐Sun 
Published: December 2021

AbstractToll‐like receptors (TLRs) are integral membrane‐bound receptors that are central to innate and adaptive immune responses. They are known to activate a cascade of downstream signals to induce the secretion of inflammatory cytokines, chemokines, and type I interferons. Dysregulated activation of TLR signaling pathways can induce the activation of various transcription factors, such as nuclear factor kappa B (NF‐κB) and interferon regulatory factor 3 (IRF3). TLRs act via MyD88‐ and TRIF‐mediated pathways to induce inflammatory responses. To evaluate the therapeutic potential of isobavachalcone (IBC), a natural chalcone component of Angelica keiskei, we examined its effects on signal transduction via TLR signaling pathways. IBC inhibited the activation of NF‐κB and IRF3 induced by TLR agonists and their target genes. IBC also inhibited the activation of NF‐κB and IRF3 induced by overexpression of downstream signaling components of TLR signaling pathways. These results suggest that IBC can regulate both MyD88‐ and TRIF‐dependent signaling pathways of TLRs, resulting in a dramatic increase of new therapeutic options for various inflammatory diseases involving TLRs.