bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Density Frenkel Defects as Origin of N‐Type Thermoelectric Performance and Low Thermal Conductivity in Mg3Sb2‐Based Materials
Authors: Kanno Tsutomu , Tamaki Hiromasa , Yoshiya Masato , Uchiyama Hiroshi , Maki Sachiko , Takata Masaki , Miyazaki Yuzuru 
Published: January 2021

AbstractMg3Sb2‐based intermetallic compounds with exceptionally high thermoelectric performance exhibit unconventional n‐type dopability and anomalously low thermal conductivity, attracting much attention to the underlying mechanisms. To date, investigations have been limited to first‐principle calculations and thermodynamic analysis of defect formation, and detailed experimental analysis on crystal structure and phonon modes has not been achieved. Here, a synchrotron X‐ray diffraction study clarifies that, against a previous view of a simple crystal structure with a small unit cell, Mg3Sb2 is inherently a heavily disordered material with Frenkel defects, charge‐neutral defect complexes of cation vacancies and interstitials. Ionic charge neutrality preserved in Mg3Sb2 is responsible for exotic n‐type dopability, which is unachievable for other Zintl phase materials. The thermal conductivity of Mg3Sb2 exhibits deviation from the standard T−1 temperature dependency with strongly limited phonon transport due to a strain field. Inelastic X‐ray scattering measurement reveals enhanced phonon scattering induced by disorder. The results will draw renewed attention to crystal defects and disorder as means to explore new high‐performance thermoelectric materials.
Nitric Oxide Modulating Calcium Store for Ca2+‐Initiated Cancer Therapy
Authors: Chu Xu , Jiang Xingwu , Liu Yanyan , Zhai Shaojie , Jiang Yaqin , Chen Yang , Wu Jun , Wang Ya , Wu Yelin , Tao Xiaofeng , He Xinhong , Bu Wenbo 
Published: January 2021

AbstractIons are essential to body, but sometimes can evolve into weapons to attack and destroy cells without systematic toxicity and drug resistance. Inspired by nitric oxygen as neurotransmitter in mediating Ca2+ release, NO nanodonors with high photoreactivity and stability are constructed with upconversion nanoparticles (UCNPs) coated by zeolitic nitro‐/nitrile‐imidazole framework‐82 (ZIF‐82), capable of near‐infrared light (NIR) triggered NO generation and berbamine (BER) release, to achieve cancer therapy with the stored Ca2+ in cells. The spatial confinement effect of 2‐nitroimidazole in ZIF‐82 enables NO‐releasing with tunable release kinetics. NO turns on the ryanodine receptors overexpressed in cancer cells for abrupt Ca2+ elevation; meanwhile, berbamine (BER) turns Ca2+‐excretion pumps off to inhibit calcium efflux, resulting in intracellular Ca2+ overload induced apoptosis. This work provides the first example of regulating endogenous ions for cell killing, which holds promise as an effective cancer therapeutics that is complementary to traditional chemotherapeutics.
Fused Aromatic Network with Exceptionally High Carrier Mobility
Authors: Mahmood Javeed , Lee Eun Kwang , Noh Hyuk‐Jun , Ahmad Ishfaq , Seo Jeong‐Min , Im Yoon‐Kwang , Jeon Jong‐Pil , Kim Seok‐Jin , Oh Joon Hak , Baek Jong‐Beom 
Published: January 2021

AbstractRecently, studies of 2D organic layered materials with unique electronic properties have generated considerable interest in the research community. However, the development of organic materials with functional electrical transport properties is still needed. Here, a 2D fused aromatic network (FAN) structure with a C5N basal plane stoichiometry is designed and synthesized, and thin films are cast from C5N solution onto silicon dioxide substrates. Then field‐effect transistors are fabricated using C5N thin flakes as the active layer in a bottom‐gate top‐contact configuration to characterize their electrical properties. The C5N thin flakes, isolated by polydimethylsiloxane stamping, exhibit ambipolar charge transport and extraordinarily high electron (996 cm2 V−1 s−1) and hole (501 cm2 V−1 s−1) mobilities, surpassing the performance of most pristine organic materials without doping. These results demonstrate their vast potential for applications in thin‐film optoelectronic devices.
Electrolyte‐Mediated Stabilization of High‐Capacity Micro‐Sized Antimony Anodes for Potassium‐Ion Batteries
Authors: Zhou Lin , Cao Zhen , Zhang Jiao , Cheng Hraoran , Liu Gang , Park Geon‐Tae , Cavallo Luigi , Wang Limin , Alshareef Husam N. , Sun Yang‐Kook , Ming Jun 
Published: January 2021

AbstractAlloying anodes exhibit very high capacity when used in potassium‐ion batteries, but their severe capacity fading hinders their practical applications. The failure mechanism has traditionally been attributed to the large volumetric change and/or their fragile solid electrolyte interphase. Herein, it is reported that an antimony (Sb) alloying anode, even in bulk form, can be stabilized readily by electrolyte engineering. The Sb anode delivers an extremely high capacity of 628 and 305 mAh g–1 at current densities of 100 and 3000 mA g–1, respectively, and remains stable for more than 200 cycles. Interestingly, there is no need to do nanostructural engineering and/or carbon modification to achieve this excellent performance. It is shown that the change in K+ solvation structure, which is tuned by electrolyte composition (i.e., anion, solvent, and concentration), is the main reason for achieving this excellent performance. Moreover, an interfacial model based on the K+‐solvent‐anion complex behavior is presented. The electronegativity of the K+‐solvent‐anion complex, which can be tuned by changing the solvent type and anion species, is used to predict and control electrode stability. The results shed new light on the failure mechanism of alloying anodes, and provide a new guideline for electrolyte design that stabilizes metal‐ion batteries using alloying anodes.
Enhanced Redox Kinetics and Duration of Aqueous I2/I− Conversion Chemistry by MXene Confinement
Authors: Li Xinliang , Li Na , Huang Zhaodong , Chen Ze , Liang Guojin , Yang Qi , Li Mian , Zhao Yuwei , Ma Longtao , Dong Binbin , Huang Qing , Fan Jun , Zhi Chunyi 
Published: January 2021

AbstractWeak binding and affinity between the conductive support and iodine species leads to inadequate electron transfer and the shuttle effect. Herein, redox kinetics and duration are significantly boosted by introducing a Nb2CTX host that is classified as a layered 2D Nb‐based MXene. With a facile electrodeposition strategy, initial I− ions are electrically driven to insert in the nanosized interlayers and are electro‐oxidized in situ. Linear I2 is firmly confined inside and benefits from the rapid charge supply from the MXene. Consequently, an aqueous Zn battery based on a Zn metal anode and ZnSO4 electrolyte delivers an ultraflat plateau at 1.3 V, which contributes to 84.5% of the capacity and 89.1% of the energy density. Record rate capability (143 mAh g−1 at 18 A g−1) and lifespan (23 000) cycles are achieved, which are far superior to those of all reported aqueous MXenes and I2–metal batteries. Moreover, the low voltage decay rate of 5.6 mV h−1 indicates its superior anti‐self‐discharge properties. Physicochemical analyses and density functional theory calculations elucidate that the localized electron transfer and trapping effect of the Nb2CTX MXene host are responsible for enhanced kinetics and suppressed shuttle behavior. This work can be extended to the fabrication of other I2–metal batteries with long‐life‐time expectations.
Efficient Luminescent Halide Quadruple‐Perovskite Nanocrystals via Trap‐Engineering for Highly Sensitive Photodetectors
Authors: Bai Tianxin , Yang Bin , Chen Junsheng , Zheng Daoyuan , Tang Zhe , Wang Xiaochen , Zhao Yang , Lu Ruifeng , Han Keli 
Published: January 2021

AbstractThe colloidal synthesis of a new type of lead‐free halide quadruple‐perovskite nanocrystals (NCs) is reported. The photoluminescence quantum yield and charge‐carrier lifetime of quadruple‐perovskite NCs can be enhanced by 96 and 77‐fold, respectively, via metal alloying. Study of charge‐carrier dynamics provide solid demonstrate that the PL enhancement is due to the elimination of ultrafast (1.4 ps) charge‐carrier trapping processes in the alloyed NCs. Thanks to the high crystallinity, low trap‐state density, and long carrier lifetime (193.4 μs), the alloyed quadruple‐perovskite NCs can serve as the active material for high‐performance photodetectors, which exhibit high responsivity (up to 0.98 × 104 A W−1) and an external quantum efficiency (EQE) of 3 × 106%. These numbers are among the highest for perovskite‐NC‐based photodetectors.
Optical Gain of Lead Halide Perovskites Measured via the Variable Stripe Length Method: What We Can Learn and How to Avoid Pitfalls
Authors: Alvarado‐Leaños Ada Lili , Cortecchia Daniele , Folpini Giulia , Srimath Kandada Ajay Ram , Petrozza Annamaria 
Published: January 2021

AbstractIn the search for novel photonic materials, the recent focus on metal halide perovskites (MHPs) has revealed their promise to become groundbreaking low‐threshold, tunable coherent light sources. An accurate determination of the optical gain coefficient (g) would help to screen for materials and design highly efficient perovskite lasers. Nevertheless, contradictory numbers are continuously reported, making this figure of merit unreliable. To address this issue, the present work outlines a meticulous analysis to retrieve g of MAPbI3, based on the variable stripe‐length (VSL) method. This method is often preferred due to its apparent simplicity; however, one can arrive at incorrect conclusions without the adequate considerations. Therefore, here the experimental implementation and numerical treatment of the data are thoroughly discussed to establish a robust VSL methodology. The obtained power dependence and spectral gain evolution point to the role of electron–hole bimolecular recombination dictating the stimulated emission properties of MAPbI3, with a behavior resembling that of bulk GaAs. Beyond providing further knowledge on the procedure to carry out pertinent VSL measurements, this work also outlines a meticulous methodology to study the underlying photophysical gain properties of MHPs and consequently, to obtain a deeper understanding of the lasing properties of these complex materials.
Construction of N‐Boc‐2‐Alkylaminoquinazolin‐4(3H)‐Ones via a Three‐Component, One‐Pot Protocol Mediated by Copper(II) Chloride that Spares Enantiomeric Purity
Authors: Li Xiaoyu , Golden Jennifer E. 
Published: January 2021

AbstractChiral 2‐alkylquinazolinones are key synthetic intermediates, but their preparation in high optical purity is challenging. Thus, a multicomponent procedure integrating anthranilic acids, N‐Boc‐amino acids, and amines in the presence of methanesulfonyl chloride, N‐methylimidazole, and copper(II) chloride was developed to mildly afford N‐Boc‐2‐alkylaminoquinazolin‐4(3H)‐ones with excellent preservation of enantiomeric purity (>99% ee). Copper(II) chloride was essential to retaining enantiopurity, and reaction component structural changes were well tolerated, resulting in an efficient, all‐in‐one procedure that promotes sequential coupling, lactonization, aminolysis, and cyclization in good yields. The method was applied to the rapid assembly of four key intermediates used in the synthesis of high profile quinazolinones, including several PI3K inhibitor drugs.magnified image
Potent In Vitro Peptide Antagonists of the Thrombopoietin Receptor as Potential Myelofibrosis Drugs
Authors: Szabo Monika , Kowalczyk Wioleta , Tarasova Anna , Andrade Jessica , Be Cheang Ly , Mulder Roger , White Jacinta , Meyer Adam G. , Schwab Kjiana E. , Cartledge Kellie , Le Tu C. , Arachchilage Anoja Wickrama , Wang Xiaoli , Hoffman Ronald , Nilsson Susan K. , Haylock David N. , Winkler David A. 
Published: January 2021

AbstractMyelofibrosis (MF) is a life‐threatening blood cancer, with current drugs providing only symptomatic relief without altering the course of the disease. Thrombopoietin, an important cytokine for platelet production, signals via its receptor c‐Mpl that is upregulated in MF patients. Therefore, inhibition of this pathway may be a useful strategy to slow or stop progression of MF. Computational modeling and rational residue substitutions of a family of linear and cyclic peptides allow the identification of RQW as the essential motif for activity at the c‐Mpl receptor. The lead cyclic peptide 48 inhibits factor dependent Mpl cells with an IC50 of 49 × 10−9 m. In primary hematopoietic stem cells, 48 is able to stop the progression of CD34+ cells into megakaryocytes and another lead peptide has previously been shown to selectively ablate MF stem cells. These peptides represent important tools for further in vivo analysis and are an important step toward much needed disease‐modifying therapies for MF.
Copolymer of Phenylene and Thiophene toward a Visible‐Light‐Driven Photocatalytic Oxygen Reduction to Hydrogen Peroxide
Authors: Oka Kouki , Nishide Hiroyuki , Winther‐Jensen Bjorn 
Published: January 2021

Abstractπ‐Conjugated polymers including polythiophenes are emerging as promising electrode materials for (photo)electrochemical reactions, such as water reduction to H2 production and oxygen (O2) reduction to hydrogen peroxide (H2O2) production. In the current work, a copolymer of phenylene and thiophene is designed, where the phenylene ring lowers the highest occupied molecular orbital level of the polymer of visible‐light‐harvesting thiophene entities and works as a robust catalytic site for the O2 reduction to H2O2 production. The very high onset potential of the copolymer for O2 reduction (+1.53 V vs RHE, pH 12) allows a H2O2 production setup with a traditional water‐oxidation catalyst, manganese oxide (MnOx), as the anode. MnOx is deposited on one face of a conducting plate, and visible‐light illumination of the copolymer layer formed on the other face aids steady O2 reduction to H2O2 with no bias assistance and a complete photocatalytic conversion rate of 14 000 mg (H2O2) gphotocat−1 h−1 or ≈0.2 mg (H2O2) cm−2 h−1.
3D Quantification of Microstructural Properties of LiNi0.5Mn0.3Co0.2O2 High‐Energy Density Electrodes by X‐Ray Holographic Nano‐Tomography
Authors: Nguyen Tuan‐Tu , Villanova Julie , Su Zeliang , Tucoulou Rémi , Fleutot Benoît , Delobel Bruno , Delacourt Charles , Demortière Arnaud 
Published: January 2021

AbstractDespite significant progress in the field of tomography, capturing the carbon binder domain (CBD) morphology presented in the Li‐ion electrode remains challenging, due to its low attenuation coefficient. In this work, quantitative phase contrast X‐ray nano‐holotomography is used as a straightforward approach that provides a large reconstructed volume, where the CBD can be resolved along with the active materials and the pore space. As a result, a complete quantitative analysis of the microstructures of three LiNi0.5Mn0.3Co0.2O2 high energy density electrodes, including the characterization of each phase separately along with the statistical quantification of their inter‐connectivity at particle scale, is performed. The microstructural heterogeneities are quantified and comparison between different electrodes is done. The results from this work suggest reasons for the negative impacts of the CBD excess on the electrode performance at high C‐rates. Those results are true in the case of high energy density electrodes, and are due to the reduction of the electrochemical active surface area. This sheds light on the optimization of the electrode design to improve the power rate of high energy density electrodes.
Multi‐chambered, carbon‐coated Ni0.4Fe2.6O4 nanoparticle superlattice microspheres for boosting water oxidation reaction
Authors: Li Mingzhong , Deng Yuwei , Wu Guanhong , Xue Shuqing , Yan Yancui , Liu Zihan , Zou Jinxiang , Yang Dong , Dong Angang 
Published: January 2021

AbstractDeveloping active and robust non‐noble‐metal‐based electrocatalysts for the oxygen evolution reaction (OER) is of vital practical significance for accelerating the kinetics of water splitting. Here, a novel double emulsion template method is proposed to design and prepare hierarchically multichambered, carbon‐coated Ni0.4Fe2.6O4 nanoparticle superlattice microspheres (M‐NFO@C‐NSMs) for the highly efficient oxygen evolution. The high‐temperature calcination under inert gas enables an improved electrochemical property by rationally transforming the long‐chain organic capping ligands into partially graphitized uniform carbon coatings. More importantly, benefiting from the unique hierarchical superstructure with macro‐/meso‐/microporosities and three‐dimensional continuous conductive carbon frameworks, M‐NFO@C‐NSMs exhibit comprehensively enhanced OER activity in a dilute alkaline electrolyte as compared to their solid counterparts and most spinel‐based electrocatalysts reported to date. Notably, the collective property of supraparticles endowed M‐NFO@C‐NSMs with superior long‐term cyclic stability. This work sheds light on the sophisticated design of functionalized supraparticles for efficient water splitting.
Parenteral iron therapy and phosphorus homeostasis: A review
Authors: Kalantar‐Zadeh Kamyar , Ganz Tomas , Trumbo Henry , Seid Melvin H. , Goodnough Lawrence T. , Levine Michael A. 
Published: January 2021

AbstractPhosphorus has an essential role in cellular and extracellular metabolism; maintenance of normal phosphorus homeostasis is critical. Phosphorus homeostasis can be affected by diet and certain medications; some intravenous iron formulations can induce renal phosphate excretion and hypophosphatemia, likely through increasing serum concentrations of intact fibroblast growth factor 23. Case studies provide insights into two types of hypophosphatemia: acute symptomatic and chronic hypophosphatemia, while considering the role of pre‐existing conditions and comorbidities, medications, and intravenous iron. This review examines phosphorus homeostasis and hypophosphatemia, with emphasis on effects of iron deficiency and iron replacement using intravenous iron formulations.
Traumatic brain injury alters neuropsychiatric symptomatology in all‐cause dementia
Authors: Bray Michael J. C. , Richey Lisa N. , Bryant Barry R. , Krieg Akshay , Jahed Sahar , Tobolowsky William , LoBue Christian , Peters Matthew E. 
Published: January 2021

AbstractIntroductionTraumatic brain injury (TBI) may alter the course of neuropsychiatric symptom (NPS) onset during dementia development. The connection among TBI, NPS, and dementia progression is of increasing interest to researchers and clinicians.MethodsIncidence of NPS was examined in participants with normal cognition who progressed to all‐cause dementia based on whether TBI history was present (n = 130) or absent (n = 849). Survival analyses were used to examine NPS incidence across 7.6 ± 3.0 years of follow‐up.ResultsParticipants with TBI history had increased prevalence and incidence of apathy (44.7% vs 29.9%, P = .0062; HRadj. = 1.708, P = .0018) and motor disturbances (17.2% vs 9.5%, P = .0458; HRadj. = 2.023, P = .0168), controlling for demographics and type of dementia diagnosis. Earlier anxiety onset was associated with TBI (692 days prior to dementia diagnosis vs 161 days, P = .0265).DiscussionHistory of TBI is associated with increased risk for and earlier onset of NPS in the trajectory of dementia development.
Multiple Nonvolatile Resistance States Tuned by Electric Pulses in the Hysteresis Temperature Range of 1T‐TaS2
Authors: Ma Yongchang , Wu Dong , Li Yajun , Chen Rui , Lu Cuimin 
Published: January 2021

AbstractCompared with systematically investigated resistance switching, nonvolatile multi‐level memristors are highly desired due to their stochastic or analog ability for artificial intelligence. Here, electric‐pulses‐induced responses of 1T‐TaS2 crystals in hysteresis temperature range are reported. These investigations clearly show that the resistance of the system can be precisely tuned by electric pulses (∼100 V cm−1), forming multiple nonvolatile states in less than 200 ns. The origin of these states and the occurrence of the obstinate triclinic phase activated by pulses are discussed and simulated, implying the rearrangements of the textures composed of commensurate charged‐density‐wave domains separated by discommensurabilities. The multiple nonvolatile resistance states activated conveniently by electric pulses may shed light on the potential applications of artificial synapse devices.
The properties and suitability of commercial bio‐based epoxies for use in fiber‐reinforced composites
Authors: Terry Joseph S. , Taylor Ambrose C. 
Published: January 2021

AbstractEnvironmental concerns about fiber composites are leading manufacturers to consider bio‐based alternatives to petroleum‐derived epoxies. Such a substitution is hindered by a lack of information, so commercially available bio‐based epoxy systems have been compared, their mechanical properties measured, and fiber composites produced by vacuum infusion. Most high bio‐based content resins for infusion use conventional curing agents. Bio‐based content is generally added using Epicerol, but also other bio‐based precursors. A diglycidyl ether of bisphenol A system produced using Epicerol achieves 20 % bio‐based content, but achieves higher contents when Epicerol is used in diluents. Fully bio‐based monomers can be deleterious to the mechanical properties and glass transition temperature (Tg), so are used sparingly. The most‐promising systems (28 % to 43 % bio‐based) compare well to conventional epoxies, possessing good strength, stiffness, toughness, and a reasonableTg. These partially bio‐based epoxies offer an immediate lower‐carbon alternative for vacuum‐infused composites in marine, sports equipment, and wind energy.
PCL/collagen blends prepared by solution blow spinning as potential materials for skin regeneration
Authors: Lorente Miguel A. , Corral Angélica , González‐Benito Javier 
Published: January 2021

AbstractSolution blow spinning (SBS), is used to prepare biocompatible fibrous materials based on poly‐ε‐caprolactone (PCL), modified with collagen. Materials with different compositions in terms of collagen are prepared. Structure, morphology, topography, wettability behavior, and cytotoxicity are studied in order to investigate the potentiality of these materials for medical applications in the field of tissue repairing and regeneration. Structure is studied by Fourier transformed infrared spectroscopy, morphology by scanning electron microscopy, topography by optical profilometry and wettability behavior by contact angle measurements. The addition of small amounts of collagen to PCL by SBS can induce important variations in the morphology and topography of the materials that, in turns, lead to changes in the wettability behavior and ability ofHaCatcells adhesion and proliferation. The analysis of surface characteristics together with the use of a model based on mats constituted by cylinders disposed perpendicularly to each other point out that, under the compositions considered, the main factor leading to higher adhesion and proliferation of cells on the PCL/collagen is the presence of more available surface area.