bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel Designed MnS‐MoS2 Heterostructure for Fast and Stable Li/Na Storage:Insights into the Advanced Mechanism Attributed to Phase Engineering
Authors: Chen Fuzhou , Shi Dong , Yang Mingzhi , Jiang Hehe , Shao Yongliang , Wang Shouzhi , Zhang Baoguo , Shen Jianxing , Wu Yongzhong , Hao Xiaopeng 
Published: November 2020

AbstractCombining 2D MoS2 with other transition metal sulfide is a promising strategy to elevate its electrochemical performances. Herein, heterostructures constructed using MnS nanoparticles embedded in MoS2 nanosheets (denoted as MnS‐MoS2) are designed and synthesized as anode materials for lithium/sodium‐ion batteries via a facile one‐step hydrothermal method. Phase transition and built‐in electric field brought by the heterostructure enhance the Li/Na ion intercalation kinetics, elevate the charge transport, and accommodate the volume expansion. The sequential phase transitions from 2H to 3R of MoS2 and α to γ of MnS are revealed for the first time. As a result, the MnS‐MoS2 electrode delivers outstanding specific capacity (1246.2 mAh g−1 at 1 A g−1), excellent rate, and stable long‐term cycling stability (397.2 mAh g−1 maintained after 3000 cycles at 20 A g−1) in Li‐ion half‐cells. Superior cycling and rate performance are also presented in sodium half‐cells and Li/Na full cells, demonstrating a promising practical application of the MnS‐MoS2 electrode. This work is anticipated to afford an in‐depth comprehension of the heterostructure contribution in energy storage and illuminate a new perspective to construct binary transition metal sulfide anodes.
Nanostructure Dependence of T‐Nb2O5 Intercalation Pseudocapacitance Probed Using Tunable Isomorphic Architectures
Authors: van den Bergh Wessel , Lokupitiya Hasala Nadeesini , Vest Natalie Alicia , Reid Barry , Guldin Stefan , Stefik Morgan 
Published: November 2020

AbstractIntercalation pseudocapacitance has emerged as a promising energy storage mechanism that combines the energy density of intercalation materials with the power density of capacitors. Niobium pentoxide was the first material described as exhibiting intercalation pseudocapacitance. The electrochemical kinetics for charging/discharging this material are surface‐limited for a wide range of conditions despite intercalation via diffusion. Investigations of niobium pentoxide nanostructures are diverse and numerous; however, none have yet compared performance while adjusting a single architectural parameter at a time. Such a comparative approach reduces the reliance on models and the associated assumptions when seeking nanostructure–property relationships. Here, a tailored isomorphic series of niobium pentoxide nanostructures with constant pore size and precision tailored wall thickness is examined. The sweep rate at which niobium pentoxide transitions from being surface‐limited to being diffusion‐limited is shown to depend sensitively upon the nanoscale dimensions of the niobium pentoxide architecture. Subsequent experiments probing the independent effects of electrolyte concentration and film thickness unambiguously identify solid‐state lithium diffusion as the dominant diffusion constraint even in samples with just 48.5–67.0 nm thick walls. The resulting architectural dependencies from this type of investigation are critical to enable energy‐dense nanostructures that are tailored to deliver a specific power density.
Bioinspired Metal‐Organic Frameworks in Mixed Matrix Membranes for Efficient Static/Dynamic Removal of Mercury from Water
Authors: Bruno Rosaria , Mon Marta , Escamilla Paula , Ferrando‐Soria Jesus , Esposito Elisa , Fuoco Alessio , Monteleone Marcello , Jansen Johannes C. , Elliani Rosangela , Tagarelli Antonio , Armentano Donatella , Pardo Emilio 
Published: November 2020

AbstractThe mercury removal efficiency of a novel metal‐organic framework (MOF) derived from the amino acid S‐methyl‐L‐cysteine is presented and the process is characterized by single‐crystal X‐ray crystallography. A feasibility study is further presented on the performance of this MOF—and also that of another MOF derived from the amino acid L‐methionine—when used as the sorbent in mixed matrix membranes (MMMs). These MOF‐based MMMs exhibit high efficiency and selectivity—in both static and dynamic regimes—in the removal of Hg2+ from aqueous environments, due to the high density of thioalkyl groups decorating MOF channels. Both MMMs are capable to reduce different concentration of the pollutant to acceptable limits for drinking water (<2 parts per billion). In addition, a novel device, consisting of the recirculation and adsorption of contaminated solutions through the MOF–MMMs, is designed and successfully explored in the selective capture of Hg2+. Thus, filtration of Hg2+ solutions with multiple passes through the permeation cell shows a gradual decrease of the pollutant concentration. These results suggest that MOF‐based MMMs can be implemented in water remediation, helping to reduce either contaminants from accidental unauthorized or deliberate metal industrial dumping and to ensure access for clean and potable freshwater.
In Vivo Evaluation of Bioabsorbable Fe‐35Mn‐1Ag: First Reports on In Vivo Hydrogen Gas Evolution in Fe‐Based Implants
Authors: Dargusch Matthew Simon , Venezuela Jeffrey , Dehghan‐Manshadi Ali , Johnston Sean , Yang Nan , Mardon Karine , Lau Cora , Allavena Rachel 
Published: November 2020

AbstractThis work investigates the influence of Ag (1 wt%) on the mechanical properties, in vitro and in vivo corrosion, and biocompatibility of Fe‐35Mn. The microstructure of Fe‐35Mn‐1Ag possesses a uniform dispersion of discrete silver particles. Slight improvements in compressive properties are attributed to enhanced density and low porosity volume. Fe‐35Mn‐1Ag exhibits good in vitro and in vivo corrosion rate of Fe‐35Mn due to an increase in microgalvanic corrosion. Gas pockets, which originate from an inflammatory response to the implants, are observed in the rats after 4 weeks implantation but are undetectable after 12 weeks. No chronic toxicity is observed with the Fe‐35Mn‐1Ag, suggesting acceptable in vivo biocompatibility. The high corrosion rate of the alloy triggers an increased level of nonadverse tissue inflammatory responses 4 weeks after implantation, which subsequently subsides at 12 weeks. The Fe‐35Mn‐1Ag displays properties that are suitable for orthopedic applications.
Lattice‐Distortion‐Enhanced Yield Strength in a Refractory High‐Entropy Alloy
Authors: Lee Chanho , Chou Yi , Kim George , Gao Michael C. , An Ke , Brechtl Jamieson , Zhang Chuan , Chen Wei , Poplawsky Jonathan D. , Song Gian , Ren Yang , Chou Yi‐Chia , Liaw Peter K. 
Published: November 2020

AbstractSevere distortion is one of the four core effects in single‐phase high‐entropy alloys (HEAs) and contributes significantly to the yield strength. However, the connection between the atomic‐scale lattice distortion and macro‐scale mechanical properties through experimental verification has yet to be fully achieved, owing to two critical challenges: 1) the difficulty in the development of homogeneous single‐phase solid‐solution HEAs and 2) the ambiguity in describing the lattice distortion and related measurements and calculations. A single‐phase body‐centered‐cubic (BCC) refractory HEA, NbTaTiVZr, using thermodynamic modeling coupled with experimental verifications, is developed. Compared to the previously developed single‐phase NbTaTiV HEA, the NbTaTiVZr HEA shows a higher yield strength and comparable plasticity. The increase in yield strength is systematically and quantitatively studied in terms of lattice distortion using a theoretical model, first‐principles calculations, synchrotron X‐ray/neutron diffraction, atom‐probe tomography, and scanning transmission electron microscopy techniques. These results demonstrate that severe lattice distortion is a core factor for developing high strengths in refractory HEAs.
Improvement of Electrical Conductivity in Conjugated Polymers through Cascade Doping with Small‐Molecular Dopants
Authors: Yoon Sang Eun , Park Jaehong , Kwon Ji Eon , Lee Sang Yeon , Han Ji Min , Go Chae Young , Choi Siku , Kim Ki Chul , Seo Hyungtak , Kim Jong H. , Kim Bong‐Gi 
Published: November 2020

AbstractDoping capability is primitively governed by the energy level offset between the highest occupied molecular orbital (HOMO) of conjugated polymers (CPs) and the lowest unoccupied molecular orbital (LUMO) of dopants. A poor doping efficiency is obtained when doping directly using NOBF4 forming a large energy offset with the CP, while the devised doping strategy is found to significantly improve the doping efficiency (electrical conductivity) by sequentially treating the NOBF4 to the pre‐doped CP with 2,3,5,6‐tetrafluoro‐7,7,8,8‐tetracyanoquino‐dimethane (F4TCNQ), establishing a relatively small energy level offset. It is verified that the cascade doping strategy requires receptive sites for each dopant to further improve the doping efficiency, and provides fast reaction kinetics energetically. An outstanding electrical conductivity (>610 S cm−1) is achieved through the optimization of the devised doping strategy, and spectroscopy analysis, including Hall effect measurement, supports more efficient charge carrier generation via the devised cascade doping.
Discovering Electron‐Transfer‐Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O)
Authors: Maier Stefan , Steinberg Simon , Cheng Yudong , Schön Carl‐Friedrich , Schumacher Mathias , Mazzarello Riccardo , Golub Pavlo , Nelson Ryky , Cojocaru‐Mirédin Oana , Raty Jean‐Yves , Wuttig Matthias 
Published: November 2020

AbstractUnderstanding the nature of chemical bonding in solids is crucial to comprehend the physical and chemical properties of a given compound. To explore changes in chemical bonding in lead chalcogenides (PbX, where X = Te, Se, S, O), a combination of property‐, bond‐breaking‐, and quantum‐mechanical bonding descriptors are applied. The outcome of the explorations reveals an electron‐transfer‐driven transition from metavalent bonding in PbX (X = Te, Se, S) to iono‐covalent bonding in β‐PbO. Metavalent bonding is characterized by adjacent atoms being held together by sharing about a single electron (ES ≈ 1) and small electron transfer (ET). The transition from metavalent to iono‐covalent bonding manifests itself in clear changes in these quantum‐mechanical descriptors (ES and ET), as well as in property‐based descriptors (i.e., Born effective charge (Z*), dielectric function ε(ω), effective coordination number (ECoN), and mode‐specific Grüneisen parameter (γTO)), and in bond‐breaking descriptors. Metavalent bonding collapses if significant charge localization occurs at the ion cores (ET) and/or in the interatomic region (ES). Predominantly changing the degree of electron transfer opens possibilities to tailor material properties such as the chemical bond (Z*) and electronic (ε∞) polarizability, optical bandgap, and optical interband transitions characterized by ε2(ω). Hence, the insights gained from this study highlight the technological relevance of the concept of metavalent bonding and its potential for materials design.
Directional Control of Light with Nanoantennas
Authors: Li Nannan , Lai Yunhe , Lam Shiu Hei , Bai Haoyuan , Shao Lei , Wang Jianfang 
Published: November 2020

AbstractLight manipulation has been widely employed in lighting, display, and energy storage, becoming an inseparable part of human lives. However, the conventional optical devices suffer from the diffraction limit of electromagnetic waves. To overcome the limitation, plasmonic and dielectric nanoantennas are introduced for the control of light direction at nanoscale. The directionality of the nanoantennas stems from their electromagnetic resonance properties or the interference between different resonance modes. The near‐field interaction between the nanoantennas and fluorescent emitters or Raman molecules will generate directional light emission. The directional nanoantennas are widely applied in various fields. Although light manipulation at nanoscale is briefly discussed in several review articles, they are not specifically devoted to directional nanoantennas. A more selective, focused and up‐to‐date review article about light manipulation by directional nanoantennas is deemed necessary because of the rapid development in this field. In this article, the properties and mechanisms of various types of nanoantennas made of plasmonic or dielectric nanostructures are introduced, the current developments of the nanoantennas are summarized, and an outlook for future investigation on directional nanoantennas is offered. It is believed that the directional light control with the nanoantennas will be a flourishing and promising research field in the future.
Double Atom Catalysts: Heteronuclear Transition Metal Dimer Anchored on Nitrogen‐Doped Graphene as Superior Electrocatalyst for Nitrogen Reduction Reaction
Authors: Zheng Guokui , Li Lei , Hao Shaoyun , Zhang Xingwang , Tian Ziqi , Chen Liang 
Published: November 2020

AbstractThe electrochemical nitrogen reduction reaction (NRR) is considered as a promising alternative to the traditional Haber–Bosch process, but the development of a highly active and selective electrocatalyst remains a great challenge. In this research, density functional theory calculations are performed to screen a series of heteronuclear and homonuclear transition metal dimers anchored on nitrogen‐doped graphene (M1M2@N6 and M1M1@N6, M1, M2 = Mn, Fe, Co, Ni, Mo) for NRR. Among them, heteronuclear CoMo@N6 is screened out as the most promising electrocatalyst because of its high selectivity, activity, and stability. This work not only predicts a promising electrocatalyst candidate for NRR, but also provides a useful guideline for the rational design of heteronuclear double atom catalysts.
Promoted Hole Transport Capability by Improving Lateral Current Spreading for High‐Efficiency Quantum Dot Light‐Emitting Diodes
Authors: Wu Qianqian , Cao Fan , Wang Haoran , Kou Jianquan , Zhang Zi‐Hui , Yang Xuyong 
Published: November 2020

AbstractCarrier imbalance resulting from stronger electron injection from ZnO into quantum‐dot (QD) emissive layer than hole injection is one critical issue that constrains the performance of QDs‐based light‐emitting diodes (QLEDs). This study reports highly efficient inverted QLEDs enabled by periodic insertion of MoO3 into (4,4′‐bis(N‐carbazolyl)‐1,1′‐biphenyl) (CBP) hole transport layer (HTL). The periodic ultrathin MoO3/CBP‐stacked HTL results in improved lateral current spreading for the QLEDs, which significantly relieves the crowding of holes and thus enhances hole transport capability across the CBP in QLEDs. Comprehensive analysis on the photoelectric properties of devices shows that the optimal thickness for MoO3 interlayer inserted in CBP is only ≈1 nm. The resulting devices with periodic two insertion layers of MoO3 into CBP exhibit better performance compared with the CBP‐only ones, such that the peak current efficiency is 88.7 cd A−1 corresponding to the external quantum efficiency of 20.6%. Furthermore, the resulting QLEDs show an operational lifetime almost 2.5 times longer compared to CBP‐only devices.
Selenium applications enhance 2‐acetyl‐1‐pyrroline biosynthesis and yield formation of fragrant rice
Authors: Luo Haowen , He Longxin , Lai Rifang , Liu Jinhai , Xing Pipeng , Tang Xiangru 
Published: November 2020

AbstractSelenium (Se) is a beneficial element for plants and a necessary element for humans. Previous studies showed Se could increase 2‐acetyl‐1‐pyrroline (2‐AP) content in fragrant rice (Oryza sativa L.), but the underlying molecular mechanism remains largely unexplored. There are several methods for Se application in rice production, and it is not clear which is better. This study investigated the effects of three different Se application methods on 2‐AP biosynthesis, yield formation, and grain Se concentration of fragrant rice through a four‐season field experiment with two fragrant rice cultivars. For soil application, Se was applied as Se mineral powder as basal application to soil (36 g Se ha−1); for foliar application (FA), sodium selenate solution (40 μmol L−1) was applied as a foliar spray at heading stage; and for seed priming, fragrant rice seeds were primed with sodium selenate at 80 mg kg−1 concentration. The treatment without Se was taken as control (CK). The results showed Se applications increased grain 2‐AP content and grain yield by 3.95–22.32% and 1.03–8.05%, respectively. Compared with CK, Se applications regulated transcript levels of genes PRODH, BADH2, DAO, OAT, and P5CS2, which are involved in 2‐AP biosynthesis. Selenium applications also increased the contents of precursors (Δ1‐pyrroline, proline and pyrroline‐5‐carboxylic acid) and enhanced the activities of enzymes (proline dehydrogenase, △1‐pyrroline‐5‐carboxylic acid synthetase, ornithine aminotransferase, diamine oxidase), which are related to 2‐AP. Furthermore, Se applications increased grain Se concentration by 14.12–63.25%. The highest grain yield, grain 2‐AP content, and grain Se concentration were all recorded in the FA treatment.
Annual forage impacts on dryland wheat farming in the Great Plains
Authors: Carr Patrick M. , Bell Jourdan M. , Boss Darrin L. , DeLaune Paul , Eberly Jed O. , Edwards Laura , Fryer Heather , Graham Christopher , Holman John , Islam M. Anowarul , Liebig Mark , Miller Perry R. , Obour Augustine , Xue Qingwu 
Published: November 2020

AbstractWheat (Triticum spp.) dominates dryland grain crop production in the North American Great Plains and other regions with semi‐arid steppe climates. A common practice is to alternate winter or spring wheat with a 14‐ to 21‐mo fallow period to allow for soil‐water recharge, despite economic inefficiencies and environmental degradation. Replacing fallow with non‐cereal grain and seed crops often reduces future wheat yields due to increased water stress during grain fill. The use of annual forages may not have the disadvantages associated with grain and seed crops. The objective of this review was to determine benefits and challenges of incorporating annual forages into dryland wheat systems in semi‐arid steppe climates, using the Great Plains within the United States as a model system. Results indicate that: (a) cool‐ and warm‐season, annual grass and broadleaf species can be grown for forage across the region; (b) forage production will be less risky than grain and seed crop production under predicted climate‐change scenarios; (c) grazing annual forages may offer advantages (e.g., nutrient cycling, improved soil structure, added revenue from livestock) over mechanically harvesting annual forages; (d) the lack of infrastructure and local markets impede the use of annual forages to diversify wheat‐based cropping systems in the region; and (e) limited networking among researchers hinders the advancement in knowledge on how annual forages can be used to improve dryland wheat system resilience.
Three M syndrome 2 in two Indian patients
Authors: Jacob Prince , Girisha Katta M. 
Published: November 2020

Abstract3‐M syndrome is a rare autosomal recessive disorder, characterized by short stature, characteristic facies and absence of microcephaly and intellectual disability. 3‐M syndrome 2 (MIM# 612921) is caused by biallelic disease causing variants in OBSL1. In this study, we identified two probands from two families with homozygous, c.1534 + 5G > T and compound heterozygous variants, c.35dup and c.1273dup in OBSL1, respectively. We herein highlight the clinical and molecular findings of the first reported cases from Indian ethnicity.
Pairwise Proximity‐Differentiated Visualization of Single‐Cell DNA Epigenetic Marks
Authors: Xue Jing , Chen Feng , Su Li , Cao Xiaowen , Bai Min , Zhao Yue , Fan Chunhai , Zhao Yongxi 
Published: November 2020

AbstractSpatial positioning and proximity of relevant biomolecules such as DNA epigenetic marks are fundamental to a deeper understanding of life. However, it remains poorly explored and technically challenging. Here we report the pairwise proximity‐differentiated visualization of single‐cell 5‐formylcytosine (5fC) and 5‐hydroxymethylcytosine (5hmC). These two marks on chromatin in fixed cells are successively labeled and crosslinked with their DNA primer probes via click chemistry. Based on a pairwise proximity‐differentiated mechanism, proximal 5fC/5hmC sites and residual 5fC or 5hmC sites are encoded with respective circularized barcodes. These barcodes are simultaneously amplified for multiplexed single‐molecule imaging. We thus demonstrate the differentiated visualization of 5fC or 5hmC spatial positioning and their pairwise proximity in single cells. Such multi‐level subcellular information may provide insights into regulation functions and mechanisms of chromatin modifications, and the spatial proximity can expose the potential crosstalk or interaction between their reader proteins.
Chemoselective Amide‐Forming Ligation Between Acylsilanes and Hydroxylamines Under Aqueous Conditions
Authors: Deng Xingwang , Zhou Guan , Tian Jing , Srinivasan Rajavel 
Published: November 2020

AbstractWe report the facile amide‐forming ligation of acylsilanes with hydroxylamines (ASHA ligation) under aqueous conditions. The ligation is fast, chemoselective, mild, high‐yielding and displays excellent functional‐group tolerance. Late‐stage modifications of an array of marketed drugs, peptides, natural products, and biologically active compounds showcase the robustness and functional‐group tolerance of the reaction. The key to the success of the reaction could be the possible formation of the strong Si−O bond via a Brook‐type rearrangement. Given its simplicity and efficiency, this ligation has the potential to unfold new applications in the areas of medicinal chemistry and chemical biology.
Phosphine Carboxylate—Probing the Edge of Stability of a Carbon Dioxide Adduct with Dihydrogenphosphide
Authors: Schreiber Roy E. , Goicoechea Jose M. 
Published: November 2020

AbstractWe present a new adduct of carbon dioxide with dihydrogenphosphide, that may be prepared either by direct reaction of NaPH2 with carbon dioxide or by hydrolysis of the phosphaethynolate ion (PCO−). In this hydrolysis transformation, a new mechanism is proposed for the electrophilic reactivity of the phosphaethynolate ion. Protonation to form phosphine carboxylic acid (PH2COOH) and functionalization to form esters is shown to increase the strength of the P–C interaction, allowing for comparisons to be drawn between this species and the analogous carbamic (NH2COOH) and carbonic acids (H2CO3). Functionalization of the oxygen atom is found to stabilize the phosphine carboxylate while also allowing solubility in organic solvents whereas phosphorus functionalization is shown to facilitate decarboxylation. Substituent migration occurs in some cases.