bluuebunny/crossref_metadata_2025_split huggingface dataset:
2D Layered Materials for Memristive and Neuromorphic Applications
Authors: Wang Chen‐Yu , Wang Cong , Meng Fanhao , Wang Pengfei , Wang Shuang , Liang Shi‐Jun , Miao Feng 
Published: December 2019

AbstractWith many fantastic properties, memristive devices are a top candidate for next‐generation memory and neuromorphic computing chips. Significant research progress has been made in improving the performance of individual memristive devices and in demonstrating functional applications based on small‐scale memristive crossbar arrays. However, practical deployment of large‐scale traditional metal‐oxide‐based memristive crossbar arrays has been challenging due to several issues, such as high power consumption, poor device reliability, and low integration density. To solve these issues, new materials that exhibit superior properties are required. 2D layered materials exhibit many unique physical properties and show great promise in solving these challenges, further providing new opportunities to implement practical applications in neuromorphic computing. Recent research progress in 2D layered‐material‐based memristive device applications is reviewed. An overview of the progress in and challenges for the use of 2D layered materials to solve the issues of conventional memristive devices and to realize more complex functionalities in neuromorphic computing is provided. Additionally, an outlook of exploitation of the unique properties of 2D layered materials and van der Waals heterostructures for developing new types of memristive devices and artificial neural microcircuits is given.
Polarons in Metal Halide Perovskites
Authors: Meggiolaro Daniele , Ambrosio Francesco , Mosconi Edoardo , Mahata Arup , De Angelis Filippo 
Published: December 2019

AbstractThe peculiar optoelectronic properties of metal‐halide perovskites, partly underlying their success in solar cells and light emitting devices, are likely related to the complex interplay of electronic and structural features mediated by formation of polarons. In this paper the current status of polaron physics in metal‐halide perovskites is reviewed based on a first‐principles computational perspective, which has delivered hitherto noaccessible insights into the electronic and structural features associated with polaron formation in this materials class. The role of organic (dipolar) versus inorganic (spherical) A‐site cations is extensively analyzed, these cations are related to modulation of the energetics and structural extension of polarons in lead‐halide perovskites. Further tuning of polaron energetics is achieved by individual variations in metal (e.g., Pb → Sn) and halide (e.g., I → Br), showing a transition from a semilocalized to a localized polaron regime in which charge holes can be trapped at isolated Sn centers. The vastly varying and tunable nature of charge lattice interactions represents a peculiarity of metal‐halide perovskites that should be taken into account when designing novel materials or targeting specific compositional engineering of existing perovskites.
Spatially and Spectrally Resolved Absorptivity: New Approach for Degradation Studies in Perovskite and Perovskite/Silicon Tandem Solar Cells
Authors: Nguyen Hieu T. , Gerritsen Sven , Mahmud Md Arafat , Wu Yiliang , Cai Ziyuan , Truong Thien , Tebyetekerwa Mike , Duong The , Peng Jun , Weber Klaus , White Thomas P. , Catchpole Kylie , Macdonald Daniel 
Published: December 2019

AbstractInstability in perovskite solar cells is the main challenge for the commercialization of this solar technology. Here, a contactless, nondestructive approach is reported to study degradation across perovskite and perovskite/silicon tandem solar cells. The technique employs spectrally and spatially resolved absorptivity at sub‐bandgap wavelengths of perovskite materials, extracted from their luminescence spectra. Parasitic absorption in other layers, carrier diffusion, and photon smearing phenomena are all demonstrated to have negligible effects on the extracted absorptivity. The absorptivity is demonstrated to reflect real degradation in the perovskite film and is much more robust and sensitive than its luminescence spectral peak position, representing its optical bandgap, and intensity. The technique is applied to study various common factors which induce and accelerate degradation in perovskite solar cells including air and heat exposure and light soaking. Finally, the technique is employed to extract the individual absorptivity component from the perovskite layer in a monolithic perovskite/silicon tandem structure. The results demonstrate the value of this approach for monitoring degradation mechanisms in perovskite and perovskite/silicon tandem cells at early stages of degradation and various fabrication stages.
Stress Distortion Restraint to Boost the Sodium Ion Storage Performance of a Novel Binary Hexacyanoferrate
Authors: Li Weijie , Han Chao , Wang Wanlin , Xia Qingbing , Chou Shulei , Gu Qinfen , Johannessen Bernt , Liu HuaKun , Dou Shixue 
Published: December 2019

AbstractMn‐based hexacyanoferrate NaxMnFe(CN)6 (NMHFC) has been attracting more attention as a promising cathode material for sodium ion storage owing to its low cost, environmental friendliness, and its high voltage plateau of 3.6 V, which comes from the Mn2+/Mn3+ redox couple. In particular, the Na‐rich NMHFC (x > 1.40) with trigonal phase is considered an attractive candidate due to its large capacity of ≈130 mAh g−1, delivering high energy density. Its unstable cycle life, however, is holding back its practical application due to the dissolution of Mn2+ and the trigonal‐cubic phase transition during the charge–discharge process. Here, a novel hexacyanoferrate (Na1.60Mn0.833Fe0.167[Fe(CN)6], NMFHFC‐1) with Na‐rich cubic structure and dual‐metal active redox couples is developed for the first time. Through multiple structural modulation, the stress distortion is minimized by restraining Mn2+ dissolution and the trigonal‐cubic phase transition, which are common issues in manganese‐based hexacyanoferrate. Moreover, NMFHFC‐1 simultaneously retains an abundance of Na ions in the framework. As a result, Na1.60Mn0.833Fe0.167[Fe(CN)6] electrode delivers high energy density (436 Wh kg−1) and excellent cycle life (80.2% capacity retention over 300 cycles), paving the way for the development of novel commercial cathode materials for sodium ion storage.
A gas pressure gradient‐dependent subgrid drift velocity model for drag prediction in fluidized gas–particle flows
Authors: Jiang Ming , Chen Xiao , Zhou Qiang 
Published: December 2019

AbstractDue to the linear correlation between the subgrid drift velocity and the filtered drag force, modeling the drift velocity would be an alternative way to obtain the filtered drag force for coarse‐grid simulations. This work aims to improve the predictability of models for the drift velocity using a new effective marker, the filtered gas pressure gradient, which is identified by momentum balance analysis. New models are constructed based on conditional averaging of the results obtained from fine‐grid two‐fluid model simulations of three‐dimensional unbounded fluidized systems. A priori assessment is presented with the comparison between the proposed models and the best available Smagorinsky‐type model with dynamic adjustment technique proposed in the literature. Results show that the proposed models give satisfactory performance. More important, the proposed models are demonstrated to have a better adaptability for cases under various physical conditions than the Smagorinsky‐type model.
Expanded Carbaporphyrinoids
Authors: Szyszko Bartosz , Latos‐Grażyński Lechosław 
Published: December 2019

AbstractThis Review outlines the progress in the field of synthetic expanded carbaporphyrinoids. The evolution of this topic is demonstrated with expanded porphyrin‐inspired systems with a variety of incorporated entities that introduce one or more carbon atoms into the cavity. The discussion starts with platyrins—the macrocycles that were identified as parent molecules of not only the expanded carbaporphyrinoids, but the carbaporphyrinoid class in general. After historic considerations, the plethora of expanded porphyrin‐like macrocycles containing N‐confused or neo‐confused pyrrole motifs and different carbocyclic subunits are presented. Special emphasis is given to applications of expanded carbaporphyrinoids in different areas, including organometallic chemistry, switching systems, or aromaticity, concluding with the demonstration of a covalent cage based on an expanded carbaporphyrinoid.
Getting ready to reduce the digital divide: Scenarios of Lithuanian public libraries
Authors: Manžuch Zinaida , Macevičiūtė Elena 
Published: December 2019

AbstractDigital exclusion is high on the international agenda and covers a variety of inequalities in access to and use of digital technologies, and in the skills and motivation needed for their adoption. This research contributes to the discussion on solving digital exclusion issues by addressing the emergent roles and challenges of Lithuanian public libraries in reducing the digital divide. The article combines a multilevel model of the digital divide with the concept of business idea and analyzes the future scenarios of Lithuanian public libraries. The findings highlight the public libraries' importance in conducting training, consultancy, and experiential learning to stimulate digital inclusion. Potentially, libraries can motivate users to adopt digital technologies, but this role is still not sufficiently visible. The findings show that libraries face challenges of redefining their social value and obtaining the sustaining funds, skills, and infrastructure necessary for digital inclusion programs. However, they can use collaboration networks, effective cost management, and external expertise to overcome these obstacles.
Positional Effect of the Triphenylamine Group on the Optical and Charge‐Transfer Properties of Thiophene‐Based Hole‐Transporting Materials
Authors: Hao Mengyao , Chi Weijie , Li Zesheng 
Published: December 2019

AbstractHybrid organic‐inorganic perovskite solar cells (PSCs) have shown significant potential for use in the energy field. Typically, hole‐transporting materials (HTMs) play an important role in affecting the power conversion efficiency (PCE) of PSCs. A deep understanding of the structure‐property relationship plays a vital role in developing efficient HTMs. Herein, the relationship between the structure and properties of two small organic HTMs H2,5 and H3,4 were systematically investigated in terms of the electronic and optical properties, the hole‐transporting behavior by using density functional theory (DFT) and Marcus electron transfer theory. The results demonstrated that the high power conversion efficiency of the H2,5‐based PSC was caused by strong interactions with the perovskite material on the interface and an enhanced hole mobility in H2,5 compared with H3,4. The strong interaction derives from the short bond length of O atom of HTM and Pb atom of perovskite material, and the highly hole mobility derives from the quasi‐planar conjugated conformation and tight packing model of neighboring molecules in H2,5. In addition, we found that the planar structure enhances the intermolecular interaction between HTM and perovskite materials compared with the ′V′‐shaped molecule. Importantly, we also note that the HOMO level of the isolated molecule is not always proportional to the open‐circuit voltages of PSCs since the HOMO level might move toward a higher level when the interaction between HTM and interface of perovskite was included. The work gives essential information for rational designing efficient HTMs.
Do Cell Membranes Flow Like Honey or Jiggle Like Jello?
Authors: Cohen Adam E. , Shi Zheng 
Published: December 2019

AbstractCell membranes experience frequent stretching and poking: from cytoskeletal elements, from osmotic imbalances, from fusion and budding of vesicles, and from forces from the outside. Are the ensuing changes in membrane tension localized near the site of perturbation, or do these changes propagate rapidly through the membrane to distant parts of the cell, perhaps as a mechanical mechanism of long‐range signaling? Literature statements on the timescale for membrane tension to equilibrate across a cell vary by a factor of ≈106. This study reviews and discusses how apparently contradictory findings on tension propagation in cells can be evaluated in the context of 2D hydrodynamics and poroelasticity. Localization of tension in the cell membrane is likely critical in governing how membrane forces gate ion channels, set the subcellular distribution of vesicle fusion, and regulate the dynamics of cytoskeletal growth. Furthermore, in this study, it is proposed that cells can actively regulate the degree to which membrane tension propagates by modulating the density and arrangement of immobile transmembrane proteins. Also see the video abstract here https://youtu.be/T6K7AIAqqBs.
Plasma metabolomics analysis of endogenous and exogenous metabolites in the rat after administration of Lonicerae Japonicae Flos
Authors: Li Lili , Ma Shuangshuang , Wang Daijie , Chen Long , Wang Xiao 
Published: December 2019

AbstractLonicerae Japonicae Flos (LJF) is a typical herbal medicine and is used as a functional food. LJF, which has complex chemical compounds, has various biological effects. The global metabolomics, focusing on both the endogenous and exogenous metabolites, have not yet been investigated for LJF in normal healthy rats using LC–MS. In this study, plasma metabolomics was analyzed after the administration of LJF at different time intervals, and the exogenous metabolites were identified. Partial least squares discriminant analysis showed significant differences in chemical content in the dosed rats. Cholic acid, indoleacrylic acid, indolelactic acid, hippuric acid, N‐acetyl‐phenylalanine, and N‐acetyl‐serotonin significantly accumulated in the dosed rats. Lysophosphatidylethanolamine and lysophosphatidylcholine content, including plasmalogen, increased. There were 25 components of LJF, including 15 prototypes and 10 metabolites, that were identified. The 15 prototypes included phenolic acids, flavonoids, and iridoids, and their contents decreased with an increase in the administration time. Glucuronidation and sulfation of polyphenols were found for LJF. The exogenous glucuronide and sulfate metabolites—including dihydrocoumaric acid‐sulfate, dihydrocaffeic acid‐sulfate, dihydroferulic acid‐sulfate, apigenin‐glucuronide, apigenin‐glucuronide‐sulfate, isorhamnetin‐glucuronide‐sulfate, and others—were identified with a neutral loss of 176 and 80, respectively. The metabolic differences found in the study may serve as biomarkers of LJF consumption and promote the understanding of the mechanism of action of LJF.
LC–MS/MS analysis of puerarin and 18β‐glycyrrhetinic acid in human plasma after oral administration of Samso‐eum and its application to pharmacokinetic study
Authors: Lee Seon Yu , Jeong Ji Hyun , Kim Bo Na , Park So Jung , Park Yang‐Chun , Lee Guk Yeo 
Published: December 2019

AbstractThe aim of this study was to confirm pharmacokinetic screening of multiple components in healthy Korean subjects after oral administration of Samso‐eum and perform quantitation of active components in the human plasma. Thirteen potential bioactive components [puerarin (PRR), daidzin, nodakenin, ginsenoside Rb1, 18β‐glycyrrhetinic acid (18β‐GTA), 6‐shogaol, naringin, glycyrrhizin, hesperidin, platycodin D, naringenin, hesperetin, and 6‐gingerol] were screened based on literature. The results showed that three analytes (daidzin, naringenin, and hesperetin) were detected in trace amounts. In addition, PRR and 18β‐GTA were detected in human plasma after the oral administration of Samso‐eum. In this study, a liquid chromatography–electrospray ionization‐tandem mass spectrometry method was validated for the simultaneous determination of PRR and 18β‐GTA in human plasma. This was the first study to evaluate pharmacokinetics of PRR and 18β‐GTA after the usual oral dose of Samso‐eum (30 g containing 102.48 mg PRR, 48.18 mg glycyrrhizin) in human subjects.
A simplified method for therapeutic drug monitoring of mitotane by gas chromatography‐electron ionization‐mass spectrometry
Authors: Ando Motozumi , Hirabatake Masaki , Yasui Hisateru , Fukushima Shoji , Sugioka Nobuyuki , Hashida Tohru 
Published: December 2019

AbstractMitotane is a key drug for the treatment of adrenal cortical carcinoma. Due to its narrow therapeutic window, 14–20 μg/mL, monitoring its concentration is crucially important. In this study, a simplified method for measuring mitotane in plasma using gas chromatography‐electron ionization‐mass spectrometry (GC‐EI‐MS) was developed. Through deproteination and liquid–liquid extraction, mitotane and an internal standard (IS) were extracted from plasma samples. GC‐EI‐MS yielded retention times of 8.2 and 8.7 min, for mitotane and the IS, respectively, with a total run time of 12 min. Selectivity and intra‐/inter‐batch accuracy and precision analyses provided a lower limit of quantification of 0.25 μg/mL, and a calibration curve between 0.25 and 40 μg/mL had good linearity (coefficient of determination = 0.992). The matrix effect factor and percent recovery of the method had good precision. Additionally, long‐term sample stability was observed below 4°C. In a clinical setting, mitotane levels in plasma from an adrenal cortical carcinoma patient were within calibration range. Therefore, this simplified method can be applied to routine therapeutic drug monitoring of mitotane, which may contribute to improved treatment of adrenal cortical carcinoma.
RIPK4 suppresses the TGF‐β1 signaling pathway in HaCaT cells
Authors: Dinçer Tuba , Boz Er Asiye Büşra , Er İdris , Toraman Bayram , Yildiz Gokhan , Kalay Ersan 
Published: December 2019

AbstractReceptor‐interacting serine/threonine kinase 4 (RIPK4) and transforming growth factor‐β 1 (TGF‐β1) play critical roles in the development and maintenance of the epidermis. A negative correlation between the expression patterns of RIPK4 and TGF‐β signaling during epidermal homeostasis‐related events and suppression of RIPK4 expression by TGF‐β1 in keratinocyte cell lines suggest the presence of a negative regulatory loop between the two factors. So far, RIPK4 has been shown to regulate nuclear factor‐κB (NF‐κB), protein kinase C (PKC), wingless‐type MMTV integration site family (Wnt), and (mitogen‐activated protein kinase) MAPK signaling pathways. In this study, we examined the effect of RIPK4 on the canonical Smad‐mediated TGF‐β1 signaling pathway by using the immortalized human keratinocyte HaCaT cell line. According to our results, RIPK4 inhibits intracellular Smad‐mediated TGF‐β1 signaling events through suppression of TGF‐β1‐induced Smad2/3 phosphorylation, which is reflected in the upcoming intracellular events including Smad2/3‐Smad4 interaction, nuclear localization, and TGF‐β1‐induced gene expression. Moreover, the kinase activity of RIPK4 is required for this process. The in vitro wound‐scratch assay demonstrated that RIPK4 suppressed TGF‐β1‐mediated wound healing through blocking TGF‐β1‐induced cell migration. In conclusion, our results showed the antagonistic effect of RIPK4 on TGF‐β1 signaling in keratinocytes for the first time and have the potential to contribute to the understanding and treatment of skin diseases associated with aberrant TGF‐β1 signaling.
TGF‐β1 sustains germ cell cyst reservoir via restraining follicle formation in the chicken
Authors: Zhou Shuo , Zhao Dan , Liu Shuqi , Zeng Weidong , Zhang Caiqiao 
Published: December 2019

AbstractThe transforming growth factor β (TGF‐β) superfamily members are important molecules that regulate many ovarian functions under normal physiological and pathological conditions. TGF‐β1 and its receptors are highly expressed in the ovarian cells of many species. However, the effect of TGF‐β1 on the capacity of the avian germ cell reservoir remains unknown. In this study, 5‐day‐old chicks were injected with TGF‐β1 (2.5, 12.5, and 62.5 μg/kg body weight) for 3 days to assess the effect of TGF‐β1 on early follicle development. Morphological analysis showed that treatment with TGF‐β1 (12.5 μg/kg) increased the number of germ cell cysts and reduced the number of primordial and growing follicles. The diameter and area of oocytes and follicles were decreased after TGF‐β1 treatment. Immunohistochemical staining of the proliferating cell nuclear antigen revealed that the ratios of the positive somatic and granulosa cells were decreased by 16.2% and 2.48%, respectively. Furthermore, more apoptotic cells were observed in the TGF‐β1 group than those of the control by terminal deoxynucleotidyl transferase dUTP nick end labeling assay. In addition, we cultured the 5d chicken ovaries for 3 days in vitro and found that treatment with TGF‐β1 (10 ng/mL) manifested similar results as the in vivo experiment. However, the negative effect of TGF‐β1 on early ovary development was rescued by treatment with a TGF‐βR1 inhibitor SD208, resulting in increased expression of steroidogenic enzymes and cell cycle‐regulating proteins. In conclusion, TGF‐β1 could maintain the germ cell reservoir by restraining follicle activation involving reduced cell proliferation and steroidogenic enzymes gene expression at the early stage of ovarian development.
Superior mesenteric artery syndrome in severe anorexia nervosa: A case series
Authors: Watters Ashlie , Gibson Dennis , Dee Elizabeth , Mascolo Margherita , Mehler Philip S. 
Published: December 2019

AbstractSuperior mesenteric artery syndrome presents with nonspecific GI complaints, hindering weight restoration in those with anorexia nervosa. Diagnosis is made with radiologic testing, and treatment requires only weight restoration, negating the need for surgical intervention.
Ruthenium Complexes in Homogeneous and Heterogeneous Catalysis for Electroreduction of CO2
Authors: Das Biswanath , Jia Chen , Ching Karin , Bhadbhade Mohan , Chen Xianjue , Ball Graham E. , Colbran Stephen B. , Zhao Chuan 
Published: December 2019

AbstractWe have studied two structurally related, water‐insoluble ruthenium complexes [RuII(tpy*)(phenCO2)](PF6) (1) (tpy*=5,4′,5′′‐tri‐tert‐butyl‐2,2′;6′,2′′‐terpyridine; phenCO2H=1,10‐phenanthroline‐2‐carboxylic acid) and [RuII(tpy)(dmphen)(Cl)](PF6) (2) (tpy=2,2′;6′,2′′‐terpyridine; dmphen=2,9‐dimethyl‐1,10‐phenanthroline, also known as neocuproine) and their electrocatalytic activity for CO2 reduction in acetonitrile and after immobilization on the reduced graphene oxide (rGO) in water (pH 7.2). Under homogeneous conditions (in CO2 saturated acetonitrile solution), characteristic major CO2 reduction waves indicate ∼280 mV lower overpotential upon changing the catalyst from 1 to 2. The higher CO2 electroreduction performance of 2 is also reflected on the heterogeneous rGO surfaces.
Porous Macroligands: Materials for Heterogeneous Molecular Catalysis
Authors: Wisser Florian M. , Mohr Yorck , Quadrelli Elsje Alessandra , Canivet Jérôme 
Published: December 2019

AbstractThe integration of catalytically active centers into a solid support without any loss of performance compared to the homogeneous analogue remains a major challenge. In this context, solid macroligands can be regarded as the key element to combine the advantages of homogeneous and heterogeneous catalysis. Porous materials such as periodic mesoporous organosilica, metal‐organic frameworks, porous organic polymers or covalent‐organic frameworks fulfill all requirements of a macroligand acting as a solid ligand of a molecular complex. They all can be tuned at the molecular scale to adapt the properties of the catalyst for a given application. This important feature also allows to directly compare different macroligands, regardless of their nature, and to choose the most appropriate for a target application.