bluuebunny/crossref_metadata_2025_split huggingface dataset:
Surface‐Confined Synthesis of Ultrafine Pt‐Rare Earth Nanoalloys on N‐Functionalized Supports
Authors: Hu Mingzhen , Cai Zengjian , Liang Xinhu , Li Ganggang , Tan Haiyan , Yang Shitu , Ren Hao , Wang Zhe , Sun Guodong , Liu Shoujie , Hao Zhengping , Zhou Kebin 
Published: July 2022

AbstractIt is extremely challenging to controllably synthesize rare earth‐containing nanoalloys due to the ultralow standard reduction potential of rare earth metals. Here, a surface‐confined strategy to prepare ultrafine Pt‐rare earth nanoalloys on a series of N‐functionalized supports is reported. It proves that by surface N‐metal coordination, the metal cations of precursors are atomically dispersed on support, which greatly favors uniform nucleation and growth of particles upon reduction. Moreover, the moderate metal transfer barrier from N ensures particle growth in a confined region to form ultrafine nanoalloys. Using this method, ultrafine PtLa, PtY, and PtDy nanoalloys are prepared on N‐functionalized supports such as carbon, zeolite, and Al2O3. Notably, the PtLa nanoalloys on N‐functionalized zeolite show superior activity and durability for propane oxidation. The strategy is expected to provide guidelines for preparing highly efficient rare earth‐containing nanoalloys for catalysis applications.
Pt Single Atom Electrocatalysts at Graphene Edges for Efficient Alkaline Hydrogen Evolution
Authors: Tsounis Constantine , Subhash Bijil , Kumar Priyank V. , Bedford Nicholas M. , Zhao Yufei , Shenoy Joel , Ma Zhipeng , Zhang Ding , Toe Cui Ying , Cheong Soshan , Tilley Richard D. , Lu Xunyu , Dai Liming , Han Zhaojun , Amal Rose 
Published: July 2022

AbstractGraphene edges exhibit a highly localized density of states that result in increased reactivity compared to its basal plane. However, exploiting this increased reactivity to anchor and tune the electronic states of single atom catalysts (SACs) remains elusive. To investigate this, a method to anchor Pt SACs with ultra‐low mass loadings at the edges of edge‐rich vertically aligned graphene (as low as 0.71 µg Pt cm–2) is developed. Angle‐dependent X‐ray absorption spectroscopy and density‐functional theory calculations reveal that edge‐anchored Pt SACs has a robust coupling with the π‐electrons of graphene. This interaction results in a higher occupancy of the Pt 5d orbital, shifting the d‐band center toward the Fermi level, improving the adsorption of *H for the hydrogen evolution reaction (HER). Pt primarily coordinated to the graphene edge shows improved alkaline HER performance compared to Pt coordinated in mixed environments (turnover frequencies of 22.6 and 10.9 s–1 at an overpotential of 150 mV, respectively). This work demonstrates an effective route to engineering the coordination environment of Pt SACs by using the graphene edge for enhanced energy conversion reactions.
Enhancing the Hot Carrier Injection of Perovskite Solar Cells by Incorporating a Molecular Dipole Interlayer
Authors: Wu Tai , Zhao Rongjun , Qiu Junming , Wang Shihuai , Zhang Xiaoliang , Hua Yong 
Published: July 2022

AbstractSurface passivation engineering of perovskite films via organic functional small molecules has emerged as an effective strategy for improving the efficiency and stability of perovskite solar cells (PSCs). However, a systematic understanding of underlying mechanisms behind these improvements is still missing. In this work, two new naphthalimide‐based organic small molecules (PX, X = F, I) are designed and employed to efficiently passivate the surface defects of perovskite films in PSCs. Consequently, superior photovoltaic properties for PI‐treated PSCs are achieved with a power conversion efficiency of 23.06%, which is significantly higher than that of the reference device without passivators (20.45%). Theoretical calculations reveal that PX can give rise to interfacial electrical dipole. It is found that incorporating a dipole interlayer between perovskite layer and hole transport layer can enhance ultrafast charge‐carrier injection and suppress the charge‐carrier recombination in device, which is illustrated by transient absorption spectroscopy. These present results can provide valuable information on the understanding interfacial charge‐carrier dynamics in PSCs to further improve the device performance.
Ovalbumin and Poly(i:c) Encapsulated Dendritic Cell‐Targeted Nanoparticles for Immune Activation in the Small Intestinal Lymphatic System
Authors: Kim Kyoung Sub , Lee Sanghee , Na Kun , Bae You Han 
Published: July 2022

AbstractHere, antigen and adjuvant encapsulated dendritic cell‐targeted nanoparticles for immune activation in the small intestinal lymphatic system to inhibit melanoma development are described. This strategy is demonstrated using chondroitin sulfate‐coated nanoparticles (OPGMN) grafted with glycocholic acid and mannose for cationic liposomes encapsulated with ovalbumin as an antigen and polyinosine‐polycytidylic acid as a cancer‐specific adjuvant. OPGMN is absorbed in the gastrointestinal tract and delivered to the lymph nodes when orally administered. Oral delivery of OPGMN induces increased dendritic cell maturation compared to the intradermal route in the lymph node and induces T helper type 1 and type 2 responses, such as immunoglobulin G1 and G2c, interferon‐gamma, and interleukin‐2, in the blood. Repeated oral administration of OPGMN increases the population of CD3+CD8+ T cells, CD44highCD62Llow memory T cells, and CD11b+CD27+ natural killer cells in the blood. OPGMN completely prevents melanoma development in the B16F10‐bearing C57BL/6 mouse model by reducing the population of CD4+CD25+Foxp3+ regulatory T cells in the blood. This strategy is expected to prevent the recurrence of tumors after various cancer treatments.
Superoleophobic/Superoleophilic Janus Synergy Apparatus for Underwater Oil Capture and Collection
Authors: Zhang Huaimeng , Hou Lanlan , Wang Jing , Li Pei , Jin Meihua , Zhao Yong 
Published: July 2022

AbstractThe treatment of oily wastewater has always been an important problem in environmental management because the oil in the water is seriously harmful to the ecological environment. Although great progress has been made in the development of oil‐bearing wastewater treatment technology, there are still some problems in the treatment technology of dispersed oil in water, such as complicated treatment processes, high energy consumption, low treatment efficiency, secondary pollution, and difficult maintenance. Here, inspired by biological Janus synergy, a Janus synergy apparatus has been developed consisting of superoleophobic steel mesh (OSM) and superoleophIlic polyurethane sponge (IPS). By combining the underwater “capture oil” characteristic of OSM with the ability to store large amounts of oil of IPS, the two materials are combined to achieve an absorption rate above 95% of underwater oil in situ treatment. Due to the fact that the underwater oil can be directly captured, collected, and separated excellently, the prepared OSM/IPS Janus apparatus demonstrates the one‐step treatment of underwater oil, which needs neither more equipment nor additional power, and it is reusable and not easy to secondary pollution. Therefore, the development of this apparatus provides an economical and effective method for the treatment of underwater dispersed oil.
Exploiting Nonlinear Fiber Patterning to Control Tubular Scaffold Mechanical Behavior
Authors: McCosker Audrey B. , Snowdon Mikayla E. , Lamont Riki , Woodruff Maria A. , Paxton Naomi C. 
Published: July 2022

AbstractMelt electrowriting is an additive manufacturing technique capable of fabricating highly biomimetic polymer scaffolds with high‐resolution microarchitecture for a range of tissue engineering applications. The use of a rotating mandrel to fabricate tubular scaffolds using this technique is increasing in popularity; however, the translation of many novel scaffold designs that have been explored on flat collectors has yet to be realized using mandrels. This study reports novel tools to automatically generate scaffold gcode for several new tubular scaffold designs, investigating a range of auxetic pore geometries and open unit cell designs. Through optimization of printing parameters, the novel scaffold designs are successfully printed and mechanically tested to assess tensile properties. Open unit cells significantly reduce the tensile stiffness of scaffolds manufactured with closed pores. Auxetic scaffolds could also be widely tuned using the novel gcode generator tool to exhibit similar stress–strain profiles to typical crosshatch scaffolds but could be made to expand to desired radial dimensions. Finally, heterogeneous auxetic constructs are also fabricated with regions of various radial compliances. This study presents several, mechanically validated novel scaffold designs that are of interest for future applications in targeted tissue engineering product development as well as in soft robotic actuation.
Role of Octahedron Alloying in Photodynamics of Lead‐Free Halide Double Perovskite Nanoplatelets
Authors: Ma Wenjie , Wu Huaxin , Liu Xiaoyu , Miao Ruonan , Liang Tianyuan , Fan Jiyang 
Published: July 2022

AbstractThe lead‐free halide double perovskites have attracted great interest owing to their unique photophysical properties. Among them, the luminescence mechanisms of the Cs2AgInCl6 crystallites are still under debate. A hot‐injection method is developed to synthesize novel hollow and spatially symmetric Cs2AgInCl6 nanoplatelets (NPLs) and study the effect of the cation/octahedron alloying on their photodynamics by using the experimental characterizations in conjunction with the density functional theory calculations. The results reveal that the pure Cs2AgInCl6 NPLs exhibit wide‐band and double‐peaked photoluminescence originating separately from free and self‐trapped excitons. The Ag+/Na+ and In3+/Bi3+ alloying, that is, the partial substitution of the [AgCl6]5− and [InCl6]3− octahedra by [NaCl6]5− and [BiCl6]3− octahedra, leads to crystal symmetry breaking and strongly enhanced exciton localization. As a result, the self‐trapped exciton luminescence becomes predominant in the yielded Cs2AgInCl6:NaBi nanoplatelets, and the quantum yield is highly improved to 10.8%. These results improve the understanding of the role of octahedron alloying in the photophysics of the double perovskite nanocrystals and pave the way for their applications in solid‐state lighting.
Deep‐Learning‐Based Microscopic Imagery Classification, Segmentation, and Detection for the Identification of 2D Semiconductors
Authors: Dong Xingchen , Li Hongwei , Yan Yuntian , Cheng Haoran , Zhang Hui Xin , Zhang Yucheng , Le Tien Dat , Wang Kun , Dong Jie , Jakobi Martin , Yetisen Ali K. , Koch Alexander W. 
Published: July 2022

Abstract2D materials and their heterostructures are prominent for fabricating next‐generation optical and photonic devices. The optical, electrical, and mechanical properties of 2D materials largely depend on atomic layer numbers. Although machine learning techniques are implemented to identify large‐area thickness distribution using microscopic images, the existing work mainly focuses on rough identification of thicknesses with in‐house datasets which limits fair and comprehensive comparisons of new machine learning approaches. Here, first a microscopic dataset is collected and released for three fundamental image processing tasks including multilabel classification, segmentation, and detection. Then three deep‐learning architectures DenseNet, U‐Net, and Mask‐region convolutional neural network (RCNN) are benchmarked on three tasks and their robustness is evaluated on the augmented 2D microscopic images with different optical contrast variations. Deep learning models are trained and evaluated to identify mono‐, bi‐, tri‐, multilayer and bulk flakes using microscopic images of MoS2 fabricated on the SiO2/Si substrate by chemical vapor deposition. The relation between model performances and statistics of datasets is studied based on the international commission on illumination (CIE) 1931 color space and red, green, blue (RGB) histograms of optical contrast differences. Finally, the robust pretrained models are integrated into a graphic user interface for the on‐site use of full field‐of‐view images captured by bright‐field microscopes.
Effective Nitrogen Incorporation for High‐Potential Anthracene Cathodes with Conjugated Frameworks
Authors: Kim Yongju , Seol Jae Seung , Jung Ku Hyun , Han Hyungu , Kim Ki Chul 
Published: July 2022

AbstractTo design high‐potential cathode materials for Li‐ion batteries through doping architecture, a well‐known anthracene framework is used as the basis for a broad array of nitrogen‐incorporated derivatives. A computational investigation of these derivatives clarifies that introduction of electron‐withdrawing nitrogen atoms improves the intrinsic redox potential at fully charged states, exhibiting a linear correlation between redox potential and electron affinity. However, this linear relationship between the redox potential and the density of nitrogen dopants is not fully followed during the discharging process. Consequently, it is found that doping one to three nitrogen atoms into anthracene is detrimental to the Li‐storage capacity, while doping four to ten nitrogen atoms is suggested as a suitable approach to improve the redox properties. At the end of the discharging process, electron affinity no longer plays a critical role in determining the redox potential. Each derivative is cathodically deactivated with the binding of the last Li atom, primarily owing to a sudden increase in the solvation energy, despite a negligible change in the electron affinity. These analyses assist to establish a promising approach for designing nitrogen‐incorporated anthracene derivatives for high‐performance cathode applications.
Optimization of Flow Distribution by Topological Description and Machine Learning in Solution Growth of SiC
Authors: Isono Masaru , Harada Shunta , Kutsukake Kentaro , Yokoyama Tomoo , Tagawa Miho , Ujihara Toru 
Published: July 2022

AbstractThe macroscopic distribution of fluid flows, which affect the quality of final products for various kinds of materials, is often difficult to describe in mathematical formulae and hinders the implementation of empirical knowledge in scaling up. In the present study, the characteristics of the flow distribution in silicon carbide (SiC) solution growth are described by using the position of the saddle point and the solution growth conditions are optimized by computational fluid dynamics simulation, machine learning, and a genetic algorithm. As a result, the candidates of the optimal condition for the solution growth of 6‐in. SiC crystals are successfully obtained from the empirical knowledge gained from 3‐in. crystal growth, by adding the topological description to the objective function. The present design of the objective function using the topological description can possibly be applied to other crystal growth or materials processing problems and to overcome scale‐up difficulties, which can facilitate the rapid development of functional materials such as SiC wafers for power device applications.
Filamentary TaOx/HfO2 ReRAM Devices for Neural Networks Training with Analog In‐Memory Computing
Authors: Stecconi Tommaso , Guido Roberto , Berchialla Luca , La Porta Antonio , Weiss Jonas , Popoff Youri , Halter Mattia , Sousa Marilyne , Horst Folkert , Dávila Diana , Drechsler Ute , Dittmann Regina , Offrein Bert Jan , Bragaglia Valeria 
Published: July 2022

AbstractThe in‐memory computing paradigm aims at overcoming the intrinsic inefficiencies of Von‐Neumann computers by reducing the data‐transport per arithmetic operation. Crossbar arrays of multilevel memristive devices enable efficient calculations of matrix‐vector‐multiplications, an operation extensively called on in artificial intelligence (AI) tasks. Resistive random‐access memories (ReRAMs) are promising candidate devices for such applications. However, they generally exhibit large stochasticity and device‐to‐device variability. The integration of a sub‐stoichiometric metal‐oxide within the ReRAM stack can improve the resistive switching graduality and stochasticity. To this purpose, a conductive TaOx layer is developed and stacked on HfO2 between TiN electrodes, to create a complementary metal‐oxide‐semiconductor‐compatible ReRAM structure. This device shows accumulative conductance updates in both directions, as required for training neural networks. Moreover, by reducing the TaOx thickness and by increasing its resistivity, the device resistive states increase, as required for reduced power consumption. An electric field‐driven TaOx oxidation/reduction is responsible for the ReRAM switching. To demonstrate the potential of the optimized TaOx/HfO2 devices, the training of a fully‐connected neural network on the Modified National Institute of Standards and Technology database dataset is simulated and benchmarked against a full precision digital implementation.
Synthesis of Glycouronamides by Transamidation Approach at Room Temperature
Authors: Kanaujiya Vimlesh Kumar , Tiwari Varsha , Pattanaik Koyal , Sabiah Shahulhameed , Kandasamy Jeyakumar 
Published: July 2022

AbstractSynthesis of various glycouronamides via transamidation reaction is reported under mild reaction conditions. Transamidation of N‐nitroso uronamides with primary and secondary amines was successfully achieved in the presence of triethyl amine. On the other hand, N‐Boc uronamides underwent transamidation smoothly with various primary amines in the presence of DBU. These reactions provided the desired glycouroamides in good to excellent yields at room temperature.
Effect of cure temperature on the thermal degradation, mechanical, microstructural and moisture absorption behavior of vacuum‐only, carbon‐fiber reinforced phenolic composites
Authors: Zaldivar Rafael J. , Ferrelli Geena L. , Arredondo Vanessa , Kim Hyun I. 
Published: July 2022

AbstractPhenolic resin is the material of choice used for composite liners in solid rocket motor nozzles. We investigate the effect of the cure conditions (94, 116, and 155°C) on vacuum only (VO) processed composite mechanical, thermal, and microstructural changes. Although the Tg's correlated with the processing conditions, mechanical properties showed unexpected non‐linear degradation after 94°C processing. This difference is primarily due to the lower cure state of the resin, which results in poor fiber/matrix coupling and is further magnified by the reduced degree of consolidation observed in VO parts. Elevated thermal exposure was shown to generate larger tensile strains in the out of‐plane direction for the 94°C composites when compared to the other conditions. This resulted in significant increases in crack density, porosity, and delamination due to an increased volume of degradation by‐products, while the higher temperature cured composites maintained good consolidation. Even though all three cure states appeared to display equivalent moisture absorption saturation levels based on weight measurements, the 94°C cured sample was shown to partially dissolve in moisture during humidity exposure, which translated to even higher saturation levels. This larger net absorption resulted in a larger drop in Tg for the 94°C cured material and thus resulted in a more severe thermal mechanical response than the other saturated specimens. This emphasizes how a reduction in cure state will not only affect thermal and mechanical performance but will also translate to a greater degree of degradation than more highly cured specimens, when exposed to humid environments.
A validated LC–MS/MS method for the determination of hederasaponin C: Application to pharmacokinetics–pharmacodynamics studies in the therapeutic area of acetic acid‐induced ulcerative colitis in rats
Authors: Zhou Bo Cheng , Tian Yan Ge , Sun Ying Na , Liu Yan Li , Zhao Di 
Published: July 2022

AbstractHederasaponin C (HSC), one of the main components of Pulsatilla chinensis, is considered as a potential drug for the treatment of inflammatory bowel disease. In the present research, we developed a pharmacokinetics–pharmacodynamics model to describe the concentration–effect course of drug action following the intraperitoneal injection of HSC in colitis rats. A sensitive UPLC–MS/MS method was established for the the determination of HSC in rat plasma to explore the pharmacokinetics properties. The separation was performed on an Accucore C18 column (2.1 × 100 mm, 2.6 μm) with a flow phase consisting of acetonitrile and 0.1% formic acid water. The assay method was validated and demonstrated good adaptability for application in the pharmacokinetics study. Then the levels of tumor necrosis factor‐α (TNF‐α), interleukin‐6 (IL‐6) and interleukin‐1β (IL‐1β) in colon tissues were measured using an ELISA assay. The levels of TNF‐α, IL‐1β and IL‐6 were decreased after HSC administration, suggesting that HSC can significantly improve the level of inflammatory syndrome factor. The pharmacokinetics study showed that the time to peak concentration of HSC was 1 h. The concentration–effect curves showed a hysteresis loop. There was also a hysteresis between the peaked concentration and the maximum effect of HSC. The present study established in vivo pharmacokinetics–pharmacodynamics models and the results showed a great potential of HSC for treating ulcerative colitis.
Central correlates of placebo effects in nausea differ between men and women
Authors: Haile Anja , Watts Mallissa , Aichner Simone , Stahlberg Franziska , Hoffmann Verena , Tschoep Matthias H. , Meissner Karin 
Published: July 2022

AbstractIntroductionDespite growing evidence validating placebo effects in nausea, little is known about the underlying cortical mechanisms in women and men. Therefore, the present study examined sex differences and electroencephalography (EEG) characteristics of the placebo effect on nausea.MethodsOn 2 consecutive days, 90 healthy subjects (45 females) were exposed to a nauseating visual stimulus. Nausea was continuously rated on an 11‐point numeric rating scale, and 32 EEG channels were recorded. On day 2, subjects were randomly allocated to either placebo treatment or no treatment: the placebo group received sham acupuncture, whereas the control group did not receive any intervention.ResultsIn contrast to the control group, both sexes in the placebo group showed reduced signs for anticipatory nausea in the EEG, indexed by increased frontal lobe and anterior cingulate activity. Among women, the improvement in perceived nausea in the placebo group was accompanied by decreased activation in the parietal, frontal, and temporal lobes. In contrast, the placebo‐related improvement of perceived nausea in men was accompanied by increased activation in the limbic and sublobar (insular) lobes.ConclusionActivation of the parietal lobe in women during the placebo intervention may reflect altered afferent activity from gastric mechanoreceptors during nausea‐induced tachyarrhythmia, whereas in men, altered interoceptive signals in the insular cortex might play a role. Thus, the results suggest different cerebral mechanisms underlying the placebo effects in men and women, which could have implications for the treatment of nausea.