bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Efficiency Cathode Sodium Compensation for Sodium‐Ion Batteries
Authors: Niu Yu‐Bin , Guo Yu‐Jie , Yin Ya‐Xia , Zhang Si‐Yuan , Wang Tao , Wang Ping , Xin Sen , Guo Yu‐Guo 
Published: July 2020

AbstractSodium‐ion batteries have gained much attention for their potential application in large‐scale stationary energy storage due to the low cost and abundant sodium sources in the earth. However, the electrochemical performance of sodium‐ion full cells (SIFCs) suffers severely from the irreversible consumption of sodium ions of cathode during the solid electrolyte interphase (SEI) formation of hard carbon anode. Here, a high‐efficiency cathode sodiation compensation reagent, sodium oxalate (Na2C2O4), which possesses both a high theoretical capacity of 400 mA h g−1 and a capacity utilization as high as 99%, is proposed. The implementation of Na2C2O4 as sacrificial sodium species is successfully realized by decreasing its oxidation potential from 4.41 to 3.97 V through tuning conductive additives with different physicochemical features, and the corresponding mechanism of oxidation potential manipulation is analyzed. Electrochemical results show that in the full cell based on a hard carbon anode and a P2‐Na2/3Ni1/3Mn1/3Ti1/3O2 cathode with Na2C2O4 as a sodium reservoir to compensate for sodium loss during SEI formation, the capacity retention is increased from 63% to 85% after 200 cycles and the energy density is improved from 129.2 to 172.6 W h kg−1. This work can provide a new avenue for accelerating the development of SIFCs.
Synergizing Mo Single Atoms and Mo2C Nanoparticles on CNTs Synchronizes Selectivity and Activity of Electrocatalytic N2 Reduction to Ammonia
Authors: Ma Yuanyuan , Yang Tong , Zou Haiyuan , Zang Wenjie , Kou Zongkui , Mao Lu , Feng Yuanping , Shen Lei , Pennycook Stephen J. , Duan Lele , Li Xu , Wang John 
Published: July 2020

AbstractPrevious research of molybdenum‐based electrocatalysts for nitrogen reduction reaction (NRR) has been largely considered on either isolated Mo single atoms (MoSAs) or Mo carbide particles (e.g., Mo2C) separately, while an integrated synergy (MoSAs‐Mo2C) of the two has never been considered. The theoretical calculations show that the Mo single atoms and Mo2C nanoparticles exhibit, respectively, different catalytic hydrogen evolution reaction and NRR selectivity. Therefore, a new role‐playing synergistic mechanism can be well enabled for the multistep NRR, when the two are combined on the same N‐doped carbon nanotubes (NCNTs). This hypothesis is confirmed experimentally, where the MoSAs‐Mo2C assembled on NCNTs (MoSAs‐Mo2C/NCNTs) yields an ammonia formation rate of 16.1 µg h−1 cmcat−2 at −0.25 V versus reversible hydrogen electrode, which is about four times that by the Mo2C alone (Mo2C/NCNTs) and 4.5 times that by the MoSAs alone (MoSAs/NCNTs). Moreover, the Faradic efficiency of the MoSAs‐Mo2C/NCNTs is raised up to twofold and sevenfold of the Mo2C/NCNTs and MoSAs/NCNTs, respectively. The MoSAs‐Mo2C/NCNTs also demonstrate outstanding stability by the almost unchanged catalytic performance over 10 h of the chronoamperometric test. The present study provides a promising new prototype of synchronizing the selectivity and activity for the multistep catalytic reactions.
Molecular Origin of Balanced Bipolar Transport in Neat Layers of the Emitter CzDBA
Authors: Liu Wenlan , Kotadiya Naresh B. , Blom Paul W. M. , Wetzelaer Gert‐Jan A. H. , Andrienko Denis 
Published: July 2020

AbstractRecently, an efficient single‐layer organic light‐emitting diode has been reported, consisting of a neat layer of the diboron‐based thermally activated delayed fluorescence emitter 5,10‐bis(4‐(9H‐carbazol‐9‐yl)‐2,6‐dimethylphenyl)‐5,10‐dihydroboranthrene, exhibiting remarkably balanced bipolar electron and hole transport. Here, the donor–acceptor–donor architecture of the molecule is linked to the transport characteristics of its neat amorphous films. It is found that energetic disorder is larger for holes than for electrons, explaining the experimentally observed difference in temperature activation of the mobility. Although a difference in energetic disorder would suggest unbalanced charge transport, it is demonstrated that it is partly counteracted by larger coupling elements for holes.
22% Efficiency Inverted Perovskite Photovoltaic Cell Using Cation‐Doped Brookite TiO2 Top Buffer
Authors: Hu Xiaowen , Liu Chang , Zhang Zhiyong , Jiang Xiao‐Fang , Garcia Juan , Sheehan Colton , Shui Lingling , Priya Shashank , Zhou Guofu , Zhang Sen , Wang Kai 
Published: July 2020

AbstractSimultaneously achieving high efficiency and high durability in perovskite solar cells is a critical step toward the commercialization of this technology. Inverted perovskite photovoltaic (IP‐PV) cells incorporating robust and low levelized‐cost‐of‐energy (LCOE) buffer layers are supposed to be a promising solution to this target. However, insufficient inventory of materials for back‐electrode buffers substantially limits the development of IP‐PV. Herein, a composite consisting of 1D cation‐doped TiO2 brookite nanorod (NR) embedded by 0D fullerene is investigated as a top modification buffer for IP‐PV. The cathode buffer is constructed by introducing fullerene to fill the interstitial space of the TiO2 NR matrix. Meanwhile, cations of transition metal Co or Fe are doped into the TiO2 NR to further tune the electronic property. Such a top buffer exhibits multifold advantages, including improved film uniformity, enhanced electron extraction and transfer ability, better energy level matching with perovskite, and stronger moisture resistance. Correspondingly, the resultant IP‐PV displays an efficiency exceeding 22% with a 22‐fold prolonged working lifetime. The strategy not only provides an essential addition to the material inventory for top electron buffers by introducing the 0D:1D composite concept, but also opens a new avenue to optimize perovskite PVs with desirable properties.
Alley cropping affects perennial bioenergy crop root distribution, carbon, and nutrient stocks
Authors: Gamble Joshua D. , Johnson Gregg A. , Current Dean A. , Wyse Donald L. , Zamora Diomides S. , Sheaffer Craig C. 
Published: July 2020

AbstractThis study quantified root biomass distribution; root accrual of C, N, P, and K; and changes in soil organic carbon (SOC) associated with alley‐cropped switchgrass (Panicum virgatum L.), prairie cordgrass (Spartina pectinata Bosc ex Link), intermediate wheatgrass [Thinopyrum intermedium (Host) Barkworth and Dewey ‘Rush’], and a native polyculture planted between rows of ‘NM6’ poplar (Populus maximowiczii × P. nigra) and ‘Fish Creek’ willow (Salix purpurea) at two Minnesota sites (Empire and Granada). After 4 yr since establishment, SOC declined at each site but was not influenced by species selection. NM6 poplar–prairie cordgrass systems had among the highest root biomass, C, and nutrient accrual, with up to 16.3 Mg root biomass, 7.0 Mg C, 175 kg N, 31 kg P, and 97 kg K ha−1. Fine roots were the largest fraction of belowground biomass, although course roots were also a large fraction for poplar and prairie cordgrass. Tree roots extended to 6 m into the crop alley, although 85–89% were within 1 m of tree rows, depending on tree species. Crop fine root biomass was reduced up to 67% at 1 m from tree rows and 20% at 3.5 m and was up to 142% greater in willow than in poplar alleys. Total root C was predominated by poplars at Empire regardless of herbaceous crop type, whereas the proportions of tree and crop root C varied by crop at Granada. These results suggest that prairie cordgrass is well suited to alley cropping and that, due to the competitive ability of poplars, productivity, C sequestration, and nutrient accrual may be greater in willow systems in the long term.
Utilizing Vinylcyclopropane Reactivity: Palladium‐Catalyzed Asymmetric [5+2] Dipolar Cycloadditions
Authors: Li Miao‐Miao , Xiong Qin , Qu Bao‐Le , Xiao Yu‐Qing , Lan Yu , Lu Liang‐Qiu , Xiao Wen‐Jing 
Published: July 2020

AbstractVinylcyclopropanes (VCPs) are commonly used in transition‐metal‐catalyzed cycloadditions, and the utilization of their recently realized reactivities to construct new cyclic architectures is of great significance in modern synthetic chemistry. Herein, a palladium‐catalyzed, visible‐light‐driven, asymmetric [5+2] cycloaddition of VCPs with α‐diazoketones is accomplished by switching the reactivity of the Pd‐containing dipolar intermediate from an all‐carbon 1,3‐dipole to an oxo‐1,5‐dipole. Enantioenriched seven‐membered lactones were produced with good reaction efficiencies and selectivities (23 examples, 52–92 % yields with up to 99:1 er and 12.5:1 dr). In addition, computational investigations were performed to rationalize the observed high chemo‐ and periselectivities.
Synthesis, Structures, and Properties of Highly Strained Cyclophenylene–Ethynylenes with Axial and Helical Chirality
Authors: Wang Li‐Hsiang , Hayase Norihiko , Sugiyama Haruki , Nogami Juntaro , Uekusa Hidehiro , Tanaka Ken 
Published: July 2020

AbstractSingle and double cyclophenylene–ethynylenes (CPEs) with axial and helical chirality have been synthesized by the Sonogashira cross‐coupling of di‐ and tetraethynyl biphenyls with a U‐shaped prearomatic diiodoparaphenylene followed by reductive aromatization. X‐ray crystallographic analyses and DFT calculations revealed that the CPEs possess highly twisted bent structures. Bend angles on the edge of the paraphenylene units were close to the value of [5]cycloparaphenylene (CPP)—the smallest CPP to date. The double and single CPEs possessed stable chirality despite flexible biphenyl structures because of the high strain in the diethynyl–paraphenylene moiety. In both the single and double CPEs, orbital interactions along the biphenyl axis were observed by DFT calculations in LUMO and LUMO+2 of the single CPE and LUMO+1 of the double CPE, which likely cause lowering of these orbital energies. Concerning chiroptical properties: boosting of the gabs value was observed in the biphenyl‐based double CPE, as well as the binaphthyl‐based single CPE, compared to the biphenyl‐based single CPE.
Achieving Pure Green Electroluminescence with CIEy of 0.69 and EQE of 28.2% from an Aza‐Fused Multi‐Resonance Emitter
Authors: Zhang Yuewei , Zhang Dongdong , Wei Jinbei , Hong Xiangchen , Lu Yang , Hu Deping , Li Guomeng , Liu Ziyang , Chen Yang , Duan Lian 
Published: July 2020

AbstractPure green emitters are essential for realizing an ultrawide color gamut in next‐generation displays. Herein, by fusing the difficult‐to‐access aza‐aromatics onto B (boron)–N (nitrogen) skeleton, a hybridized multi‐resonance and charge transfer (HMCT) molecule AZA‐BN was successfully synthesized through an effective one‐shot multiple cyclization method. AZA‐BN shows pure green fluorescence with photoluminance quantum yield of 99.7 %. The corresponding green device exhibits a maximum external quantum efficiency and power efficiency of 28.2 % and 121.7 lm W−1, respectively, with a full width half maximum (FWHM) of merely 30 nm and Commission Internationale de l'Eclairage (CIE) coordinateyof 0.69, representing the purest green bottom‐emitting organic light‐emitting diode.
Intermolecular Dearomatization of Naphthalene Derivatives by Photoredox‐Catalyzed 1,2‐Hydroalkylation
Authors: Cheng Yuan‐Zheng , Huang Xu‐Lun , Zhuang Wei‐Hui , Zhao Qing‐Ru , Zhang Xiao , Mei Tian‐Sheng , You Shu‐Li 
Published: July 2020

AbstractAn intermolecular hydroalkylative dearomatization of naphthalenes with commercially available α‐amino acids is achieved via visible‐light photoredox catalysis. With an organic photocatalyst, a series of multi‐substituted 1,2‐dihydronaphthalenes are obtained in good‐to‐excellent yields. Intriguingly, by tuning the substituents at the C2 position of naphthalenes, formal dearomative [3+2] cycloadditions occur exclusively via a hydroalkylative dearomatization–cyclization sequence. This overall redox‐neutral method features mild reaction conditions, good tolerance of functionalities, and operational simplicity. Diverse downstream elaborations of the products are demonstrated. Preliminary mechanistic studies suggest the involvement of a radical–radical coupling pathway.
Engineering Sensitized Photon Upconversion Efficiency via Nanocrystal Wavefunction and Molecular Geometry
Authors: He Shan , Lai Runchen , Jiang Qike , Han Yaoyao , Luo Xiao , Tian Yuyang , Liu Xue , Wu Kaifeng 
Published: July 2020

AbstractTriplet energy transfer from inorganic nanocrystals to molecular acceptors has attracted strong attention for high‐efficiency photon upconversion. Here we study this problem using CsPbBr3 and CdSe nanocrystals as triplet donors and carboxylated anthracene isomers as acceptors. We find that the position of the carboxyl anchoring group on the molecule dictates the donor‐acceptor coupling to be either through‐bond or through‐space, while the relative strength of the two coupling pathways is controlled by the wavefunction leakage of nanocrystals that can be quantitatively tuned by nanocrystal sizes or shell thicknesses. By simultaneously engineering molecular geometry and nanocrystal wavefunction, energy transfer and photon upconversion efficiencies of a nanocrystal/molecule system can be improved by orders of magnitude.
Effect of nanoparticle and glass fiber on the hydrothermal aging of polyamide 6
Authors: Zhang Chunbo , Liu Chang , Zhao Hui , Hu Wenxian , Liu Guoming , Zhao Ying , Dong Xia , Wang Kezhi , Zhang Jianjun , Li Xiangyang , Wang Dujin 
Published: July 2020

AbstractHydrothermal aging behavior of polyamide 6 (PA6) and its composites (PA6/calcium carbonate [CaCO3] and PA6/short glass fiber [SGF]) was systematically investigated using infrared spectroscopy, dynamic mechanical analysis, differential scanning calorimetry, and wide‐angle X‐ray diffraction as well as mechanical measurements. It was found that the water absorption mechanism is strongly affected by the presence of fillers. SGF‐reinforced PA6 composites absorb less water than PA6 and PA6/CaCO3 composites under the same hydrothermal condition. PA6 with 10 wt% SGF exhibits great resistance to hydrothermal aging, which is attributed to the higher crystallinity and larger α‐form fraction.
A generalized transition model for grouped longitudinal categorical data
Authors: Lara Idemauro A. R. , Moral Rafael A. , Taconeli Cesar A. , Reigada Carolina , Hinde John 
Published: July 2020

AbstractTransition models are an important framework that can be used to model longitudinal categorical data. They are particularly useful when the primary interest is in prediction. The available methods for this class of models are suitable for the cases in which responses are recorded individually over time. However, in many areas, it is common for categorical data to be recorded as groups, that is, different categories with a number of individuals in each. As motivation we consider a study in insect movement and another in pig behaviou. The first study was developed to understand the movement patterns of female adults ofDiaphorina citri, a pest of citrus plantations. The second study investigated how hogs behaved under the influence of environmental enrichment. In both studies, the number of individuals in different response categories was observed over time. We propose a new framework for considering the time dependence in the linear predictor of a generalized logit transition model using a quantitative response, corresponding to the number of individuals in each category. We use maximum likelihood estimation and present the results of the fitted models under stationarity and non‐stationarity assumptions, and use recently proposed tests to assess non‐stationarity. We evaluated the performance of the proposed model using simulation studies under different scenarios, and concluded that our modeling framework represents a flexible alternative to analyze grouped longitudinal categorical data.
A prognostic model composed of four long noncoding RNAs predicts the overall survival of Asian patients with hepatocellular carcinoma
Authors: Gu Xuefeng , Li Hongbo , Sha Ling , Zhao Wei 
Published: July 2020

AbstractBased on accumulating evidence, long noncoding RNAs (lncRNAs) are potential biomarkers and therapeutic targets for many diseases, including tumors. In this study, we consulted The Cancer Genome Atlas (TCGA) database to explore the functions and modulatory mechanisms of lncRNAs as competing endogenous RNAs (ceRNAs) in hepatocellular carcinoma (HCC) in Asian patients and constructed a risk scoring system composed of four lncRNAs (SNHG1, STEAP3‐AS1, RUSC1‐AS1, and SNHG3) to predict the outcomes of Asian patients with HCC. The prognostic value of this risk model was validated in the internal validation cohort (n = 157). The stratified survival analysis revealed good performance for the risk model in stratifying clinical features. According to the Cox proportional hazard regression analysis, the four‐lncRNA risk model is an independent prognostic model for Asian patients with HCC. Finally, we developed a nomogram that integrates prognostic signals and other clinical information to predict 1‐, 3‐, and 5‐year overall survival rates. In conclusion, the prognostic lncRNAs identified in our study exerted potential biological effects on the development of HCC. The risk scoring model based on four lncRNAs may be an effective classification tool for assessing the prognosis of Asian patients with HCC.
Effect of the surgical approach on survival outcomes in patients undergoing radical hysterectomy for cervical cancer: A real‐world multicenter study of a large Chinese cohort from 2006 to 2017
Authors: Guo Chenyan , Tang Xiaoyan , Meng Yan , Zhang Ying , Zhang Xuyin , Guo Jingjing , Lei Xiaohong , Qiu Junjun , Hua Keqin 
Published: July 2020

AbstractObjectiveTo compare survival outcomes of minimally invasive surgery (MIS) and laparotomy in early‐stage cervical cancer (CC) patients.MethodsA multicenter retrospective cohort study was conducted with International Federation of Gynecology and Obstetrics (FIGO, 2009) stage IA1 (lymphovascular invasion)‐IIA1 CC patients undergoing MIS or laparotomy at four tertiary hospitals from 2006 to 2017. Propensity score matching and weighting and multivariate Cox regression analyses were performed. Survival was compared in various matched cohorts and subgroups.ResultsThree thousand two hundred and fifty‐two patients (2439 MIS and 813 laparotomy) were included after matching. (1) The 2‐ and 5‐year recurrence‐free survival (RFS) (2‐year, hazard ratio [HR], 1.81;95% confidence interval [CI], 1.09‐3.0; 5‐year, HR, 2.17; 95% CI, 1.21‐3.89) or overall survival (OS) (2‐year, HR, 1.87; 95% CI, 1.03‐3.40; 5‐year, HR, 2.57; 95% CI, 1.29‐5.10) were significantly worse for MIS in patients with stage I B1, but not the cohort overall (2‐year RFS, HR, 1.04; 95% CI, 0.76‐1.42; 2‐year OS, HR, 0.99; 95% CI, 0.70‐1.41; 5‐year RFS, HR, 1.12; 95% CI, 0.76‐1.65; 5‐year OS, HR, 1.20; 95% CI, 0.79‐1.83) or other stages (2) In a subgroup analysis, MIS exhibited poorer survival in many population subsets, even in patients with less risk factors, such as patients with squamous cell carcinoma, negative for parametrial involvement, with negative surgical margins, negative for lymph node metastasis, and deep stromal invasion < 2/3. (3) In the cohort treated with (2172, 54%) or without adjuvant treatment (1814, 46%), MIS showed worse RFS than laparotomy in patients treated without adjuvant treatment, whereas no differences in RFS and OS were observed in adjuvant‐treatment cohort. (4) Inadequate surgeon proficiency strongly correlated with poor RFS and OS in patients receiving MIS compared with laparotomy.ConclusionsMIS exhibited poorer survival outcomes than laparotomy group in many population subsets, even in low‐risk subgroups. Therefore, laparotomy should be the recommended approach for CC patients.
Morphological Profiling Identifies a Common Mode of Action for Small Molecules with Different Targets
Authors: Schneidewind Tabea , Brause Alexandra , Pahl Axel , Burhop Annina , Mejuch Tom , Sievers Sonja , Waldmann Herbert , Ziegler Slava 
Published: July 2020

AbstractUnbiased morphological profiling of bioactivity, for example, in the cell painting assay (CPA), enables the identification of a small molecule's mode of action based on its similarity to the bioactivity of reference compounds, irrespective of the biological target or chemical similarity. This is particularly important for small molecules with nonprotein targets as these are rather difficult to identify with widely employed target‐identification methods. We employed morphological profiling using the CPA to identify compounds that are biosimilar to the iron chelator deferoxamine. Structurally different compounds with different annotated cellular targets provoked a shared physiological response, thereby defining a cluster based on their morphological fingerprints. This cluster is based on a shared mode of action and not on a shared target, that is, cell‐cycle modulation in the S or G2 phase. Hierarchical clustering of morphological fingerprints revealed subclusters that are based on the mechanism of action and could be used to predict target‐related bioactivity.
Metastatic renal cell carcinoma in the thyroid gland
Authors: Cruz Mark M. , Schmidt Gregory S. , Johnson Jeptha T. , Hoang Thanh D. , Shakir Mohamed K. M. 
Published: July 2020

AbstractThyroid incidentalomas on FDG PET/CT are common with one‐third of focal uptakes caused by malignancies. Toxic nodules should be excluded. Ultrasound risk‐adapted systems can classify thyroid nodules and identify those who need biopsy.
Synthesis of 2‐alkenylidene‐3‐oxoindolines: cascade reactions of 4H‐furo [3,2‐b]indoles with diazoacetates catalyzed by a Cu(I) macrocyclic pyridine‐containing ligand (PcL) complex
Authors: Pirovano Valentina , Caselli Alessandro , Colombo Alessia , Dragonetti Claudia , Giannangeli Matteo , Rossi Elisabetta , Brambilla Elisa 
Published: July 2020

AbstractA highly reactive and selective catalytic system comprising Cu(I) and a macrocyclic pyridine‐containing ligand (Pc−L) for the synthesis of 2‐(penta‐2,4‐dien‐1‐ylidene) 3‐oxoindolines from 4H‐furo[3,2‐b]indoles and diazoalkane is reported herein. The reaction sequence involves the initial formation of a copper‐carbene by Cu(I)‐catalyzed decomposition of a diazoalkane followed by copper‐carbene to furoindole addition and successive furan ring‐opening aﬀording the final products. The reaction proved to be quite general, tolerating EWG as well as EDG substituents on the indole scaffold as well as acceptor or donor/acceptor carbene precursors and products were obtained in good to excellent yields. The proposed methodology allows to overcome some selectivity issues encountered performing similar transformations in the presence of gold(I)‐carbenes. Interestingly, two of the 2‐alkenylidene‐3‐oxoindolines are characterized by a second‐order nonlinear optical response higher than that of Disperse Red One
MoS2 nano‐flowers stacked by ultrathin sheets coupling with oxygen self‐doped porous biochar for efficient photocatalytic N2 fixation
Authors: Liu Baojun , Qin Jiangzhou , Yang Han , Hu Xia , Zhao Wenjun , Zhang Zhiguang 
Published: July 2020

AbstractThe adsorption and activation of N2 are significant steps for ammonia (NH3) production, and the traditional photocatalysts are limited in the reaction processes. To explore more efficient catalytic materials, MoS2 nano‐flowers stacked by ultrathin sheets were in situ grown on oxygen self‐doped porous biochar (OPC). The resultant MoS2/OPC composites with large exposed surface sites could be helpful to charge migration, and adsorption and activation of inert N2 molecules, which are favorable for excellent and stable photocatalytic N2 reduction reaction (NRR) in pure water. As a result, the productivity of ammonia is significantly improved by MoS2/OPC and the NH3 generation rate is as high as 37.878 μmol ⋅ g−1 ⋅ h−1. The results presented new insights into rational design of highly active catalysts for enhanced NRR performance.