bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Application of Functionalized Diblock Amphiphilic Fullerene Derivatives
Authors: Liu Jikang , Li Junli , Liu Xiangfu , Zhang Zheling , Zhang Jian , Tu Guoli 
Published: January 2019

AbstractA series of functionalized amphiphilic diblock fullerene derivatives C60‐4TPB, C60‐2DPE, C60‐4HTPB, C60‐PHFBS, and C60‐2BEFPE are developed and applied as the modification layers on zinc oxide (ZnO) in inverted organic solar cell (OSC) devices. By spin‐coating ZnO, the fullerene derivatives layer can reduce the work function of ZnO via modulation of the interfacial dipoles. When introducing solvent treatment by toluene during the preparation of films, the order of the fullerene derivatives layer are clearly increased, which are supported by X‐ray diffraction and contact angle of water measurements. The OSCs devices modified with those fullerene derivatives show power conversion efficiency of 8.62%, 9.21%, 8.86%, 9.14%, and 9.15% based on poly‐[4,8‐bis(5‐(2‐ethylhexyl)‐thiophen‐2‐yl)benzo[1,2‐b:4,5‐b′]‐dithiophene‐alt‐3‐fluoro thieno‐[3,4‐b] thiophene‐2‐carboxylate] (PTB7‐Th) and [6,6]‐phenyl‐C71‐butyric acid methyl ester (PC71BM) blend, respectively. All the results indicate that the development of diblock amphiphilic fullerene derivatives opens a new opportunity to modify the present defects of ZnO by simultaneously modulating interfacial work functions, the wetting properties of the interlayer, and the active layer.
A fully coupled simple model for unsaturated soils
Authors: Rojas Eduardo , Horta Jaime , Pérez‐Rea María L. , Hernández Christian E. 
Published: January 2019

SummaryDifferent phenomena influence the strength and volumetric behavior of unsaturated soils. Among the most important are suction hardening, hydraulic hysteresis, and the influence of volumetric strain on the soil‐water retention curves. Fully coupled hydro‐mechanical models require including all three phenomena in their constitutive relationships. Among these phenomena, suction hardening is the most influencing as it determines the apparent preconsolidation stress, the position of the loading‐collapse yield surface, and the shift of both the isotropic consolidation and the critical state lines. In this paper, a fully coupled hydro mechanical model is presented. It is based on the modified Cam‐Clay model but includes a yield surface with anisotropic hardening that takes account of the shift of the critical state line with suction. For highly overconsolidated materials, the sub‐loading surface concept has been included in order to increase the precision of the model for these materials. The shift of the retention curves produced by volumetric strains is simulated using a hydraulic model based on the grain and current pore size distribution of the soil.
A multiscale work‐analysis approach for geotechnical structures
Authors: Xiong Hao , Yin Zhen‐Yu , Nicot François 
Published: January 2019

SummaryThis paper presents a second‐order work analysis in application to geotechnical problems by using a novel effective multiscale approach. To abandon complicated equations involved in conventional phenomenological models, this multiscale approach employs a micromechanically‐based formulation, in which only four parameters are involved. The multiscale approach makes it possible a coupling of the finite element method (FEM) and the micromechanically‐based model. The FEM is used to solve the boundary value problem (BVP) while the micromechanically‐based model is utilized at the Gauss point of the FEM. Then, the multiscale approach is used to simulate a three‐dimensional triaxial test and a plain‐strain footing. On the basis of the simulations, material instabilities are analyzed at both mesoscale and global scale. The second‐order work criterion is then used to analyze the numerical results. It opens a road to interpret and understand the micromechanisms hiding behind the occurrence of failure in geotechnical issues.
Expression of PD‐1/PD‐L1 in children's classical Hodgkin lymphomas
Authors: Dilly‐Feldis Marie , Aladjidi Nathalie , Refait John K. , Parrens Marie , Ducassou Stéphane , Rullier Anne 
Published: January 2019

AbstractBackgroundAlthough a prognosis of recurrent or refractory childhood Hodgkin lymphoma (HL) is associated with poor outcomes despite intensive therapy, the immune checkpoint inhibitors PD‐1/PD‐L1 appear to be therapeutic alternatives for advanced adult cases. However, these pharmacotherapies are yet to be studied in a pediatric population.ProcedureThe present study measured the expression of PD‐1/PD‐L1 in diagnostic samples of children with classical HL, according to the disease course. This study included two groups of patients treated at the Department of Pediatric Oncology, Bordeaux University Hospital—a group of cured or in‐remission cases and a group of relapsed or refractory cases. Immunohistochemical analyses of anti‐PD‐1 and anti‐PD‐L1 (clone 28‐8, companion test for nivolumab) were performed on baseline and follow‐up biopsies.ResultsOf the 42 included patients, 31 were cured or in remission and 11 were categorized as relapsed or refractory. At the time of diagnosis, PD‐1 expression was low (1‐3% of intratumoral lymphocytes labeled) in <20% of cases, whereas PD‐L1 was expressed by tumor cells in all cases, and strongly (≥50%) in most cases. There were no significant differences in the expression levels of the two checkpoint molecules between the groups. Initial biopsies showed strong expression of PD‐L1, whereas expression of PD‐1 was rare.ConclusionsThe identical labeling profiles of the cured and relapsed/refractory patients suggest that comparable responses to inhibitors of the PD1/PDL1 immunological checkpoints could be expected in patients undergoing first‐, second‐, or third‐line therapy.
Polymer sequestrants for biological and environmental applications
Authors: Archer William R , Hall Brady A , Thompson Tiffany N , Wadsworth Ophelia J , Schulz Michael D 
Published: January 2019

AbstractToxic contaminates have profound consequences on both health and the environment. Consequently, effective approaches for addressing the effects of these toxicants are paramount. Here, we review recent progress in developing polymeric sequestrants for biological toxins, heavy metals and organic micropollutants. Polymers have several advantages as sequestration materials, including relatively low cost and high affinity for target compounds. As a result a number of polymer‐based toxin‐mitigation applications have been investigated. Naturally occurring toxins may be neutralized with polymers capable of binding and eliminating them from the body. Heavy metal contamination from mining operations, energy and industrial sources may also be mitigated with appropriate chelating polymers, both for environmental remediation and in chelation therapy for metal poisoning. Micropollutants such as pesticides from agriculture and polycyclic aromatic hydrocarbons from combustion processes may also be isolated using polymeric materials. Each of these applications illustrates the capabilities of polymers for eliminating toxic contaminants, thereby facilitating greater health and sustainability. © 2019 Society of Chemical Industry
Organocatalysis applied to the ring‐opening polymerization of β‐lactones: A brief overview
Authors: Khalil Ali , Cammas‐Marion Sandrine , Coulembier Olivier 
Published: January 2019

ABSTRACTOrganocatalysis offers a number of prospects in the polymer community and presents advantages over metal based and bio‐organic methods. The use of organic molecules for performing chemical reactions is not a new concept, and any research into organocatalytic reactions builds on a respected history. Compared to the organocatalysis of large lactones, which began in the early 2000s, the examples presented here will demonstrate that few metal‐free initiating systems had been applied to β‐lactones well before the beginning of the current millennium. These metal‐free initiating systems present indisputable advantages over metal‐based processes. In the following paper, ring‐opening polymerizations (ROPs) of various β‐lactones for the preparation of poly(hydroxyalkanoate)s will be presented, as will the types of mechanisms involved, that is, zwitterionic and anionic, and cationic or supramolecular‐based ROPs. The advantages and drawbacks of the different technics will be discussed in the domain, which, for us, is important in the overall production of bioplastics. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 657–672
Two‐Dimensional Conducting Polymers: Synthesis and Charge Transport
Authors: Barpuzary Dipankar , Kim Kyoungwook , Park Moon Jeong 
Published: January 2019

ABSTRACTCurrent technological advances and prolific endeavors have entrenched two‐dimensional conducting polymers as the rapidly emerging interface across a diversity of functional materials for flexible electronics, sensors, ion‐exchange membranes, biotechnology, catalysis, energy storage, and conversion. Rational design and fabrication of polymeric nanostructures enriched with well‐ordered geometry are appealing and endorse significant impact on their in‐built electrical, optical, and mechanical properties. In particular, recent interest in controlled hierarchical assembly of monomers/oligomers proved the free‐standing sheet‐like structures with exotic features of high conductivity and flexibility. Yet, the ongoing research to make nanometer‐thick polymers suffers from limitations to access large‐area, mechanical stability, and high‐range internal ordering. In this perspective, we focus on the radical approaches that highlight confinement‐entitled features of two‐dimensional polymeric materials correlating to their interface or template‐assisted synthesis, structure–property relationship, charge transport properties, and future scopes for relevant practical enactments. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019, 57, 1169–1176
Assessing nodality in neighbourhoods in transformation: A concept of sustainable urban form. The case study of Rahue Bajo, Osorno, Chile
Authors: Hosni Jilan , Zumelzu Antonio 
Published: January 2019

AbstractPutting a value on the importance of human interaction in neighbourhoods to promote vitality, public spaces represent the hub of social control over territories. Chilean neighbourhoods have followed a transformation pattern similar to that observed in European and North American cities. This study aims to evaluate the quality of public spaces, according to users perceptions. It follows an empirical case study approach with a qualitative observation analysis. It utilizes the concept of nodality as a dimension of sustainable urban form that is defined by its size, level and type. A new perspective is highlighted to help officials progress with new tools and methods to achieve better design results. This can be seen as a step forward towards more inclusive city development and can expose the discussion of new systems of organizing cities according to people's perception and behaviour in space.
A study of surface diffusion of ternary (Cu‐Ag‐Zr) adatoms clusters for applications in thin film formation
Authors: Imran Muhammad , Hussain Fayyaz , Hayat Sardar Sikandar , Khalil Rana Muhammad Arif , Munir Tariq , Sattar Muhammad Atif , Rehman Abdul , Javid Muhammad Arshad , Ahmad Sheikh Aftab 
Published: January 2019

This study presents the diffusion of heterogeneous ternary (Cu‐Ag‐Zr) adatoms clusters on Ag(111) using molecular dynamics techniques which could be important for the surface phenomena's and helpful for the ternary cluster's growth and formation of ternary alloy‐based thin films. The mechanism of nanoscale surface diffusion is investigated for 1Cu‐1Ag‐1Zr, 2Cu‐2Ag‐2Zr, 3Cu‐3Ag‐3Zr, and 4Cu‐4Ag‐4Zr clusters at temperatures 300, 500, and 700 K. The diffusion mechanism displays that the diffusion of trimer cluster exhibits hopping, sliding, and shearing at 300 K, whereas for hexamer, nonamer, and decamer, the diffusion rate is low; however, breathing, anchoring, and concentrated motion dominates. At 500 K, trimer and hexamer show the process of atomic exchange; however, the atomic exchange is not observed in the case of nonamer and decamer diffusion. The atomic exchange mechanism of Cu and Zr adatoms dominates at 700 K for all size clusters, except Ag adatoms, where Zr adatoms show a relatively more tendency. Separation and rejoining of the one and two adatoms (likely Zr adatom) are also witnessed at high temperature. The pop‐up of Ag adatoms also occurs in very short intervals over the remaining adatoms of clusters. Interestingly, during trimer diffusion, the adsorption of the Zr‐ or Cu‐adatom among the trimer cluster into the substitutional site is found. At 700 K, vacancy generation, filling of vacancies, and migration of vacancy, in the neighborhood of the adatoms cluster, also observed. Moreover, the rate of diffusion decreases with the size increase of the clusters and increases with the increase in temperature.
Aerobic Copper Catalytic Oxidation of Methylene and Arylidenebisnaphthols: A Green and Efficient Synthesis of Spironaphthalenones
Authors: Dekhici Mebrouka , Plihon Sébastien , Bar Nathalie , Villemin Didier , Elsiblani Hussein , Cheikh Nawel 
Published: January 2019

AbstractMethylene and arylidene bisnaphthols can be converted into 4,5,2’,3’‐dibenzo‐3‐grisa‐2’,4’‐dien‐6’‐ones under catalytic conditions in the presence of copper(II)‐tetramethylethylenediamine [CuCl(OH)(TMEDA)]2. The reaction simply proceeds under air at room temperature and the control of stereoselectivity is total, affording the only (RR+SS) diastereoisomer.
Nano‐sized Titanium Nitride Functionalized Separator Improves Cycling Performance of Lithium Sulfur Batteries
Authors: Xu Guiyin , Yan Qing‐bo , Bai Peng , Dou Hui , Nie Ping , Zhang Xiaogang 
Published: January 2019

AbstractHigh‐energy lithium‐sulfur batteries have been plagued by the poor cyclability due to the soluble lithium polysulfide intermediates into the organic electrolyte. Here, we design a separator functionalized by a simple coating of nanosized titanium nitride and super C65. Lithium‐sulfur batteries with the functional separator achieve a high specific capacity of 935 mAh g−1 at a current density of 0.5 C, and show a super‐long cycling performance at a small degradation rate. The improvement mechanisms introduced by the new separator are further investigated by the electrochemical analysis and theoretical calculation.
Novel Emission Color‐Tuning Strategies in Heteroleptic Phosphorescent Ir(III) and Pt(II) Complexes
Authors: Feng Zhao , Sun Yuanhui , Yang Xiaolong , Zhou Guijiang 
Published: January 2019

AbstractColor‐tuning for phosphorescent emitters in organic light‐emitting diodes (OLEDs) across the entire visible spectrum is prerequisite to fulfil flexible full‐color displays and white solid‐state lighting. Heteroleptic 2‐phenylpyridine‐type (ppy‐type) Ir(III) and Pt(II) complexes as phosphorescent emitters have been well exploited in the electroluminescence (EL) field due to their outstanding EL performance. Furthermore, the photophysical characters of these heteroleptic Ir(III) and Pt(II) complexes are generally dominated by the nature of cyclometalating ppy‐type ligands. Accordingly, either sophisticated modification or judicious combination of different cyclometalating ppy‐type ligands will provide a wonderful platform to tune their emission color. In this personal account, we put a special emphasis on our contributions to the novel color‐tuning strategies in these heteroleptic ppy‐type Ir(III) and Pt(II) complexes. In addition, afforded by our novel color‐tuning strategies, ambipolar character or enhanced electron injection/transport (EI/ET) features can be furnished to bring high EL performances.
Establishment of a sensitive TaqMan‐based real‐time PCR assay for porcine circovirus type 3 and its application in retrospective quarantine of imported boars to China
Authors: Feng Chunyan , Wang CaiXia , Zhang Yongning , Du Fangyuan , Zhang Zhou , Xiao Fuchuan , Wang Jianchang , Lin Xiangmei , Wu Shaoqiang 
Published: January 2019

AbstractPorcine circovirus type 3 (PCV3) is a novel pathogen first identified in the United States in 2016. As there is a high possibility that no clinical signs of infection are observed in the host, an accurate and sensitive method is needed for quarantine on numerous live pigs especially for international pig trade. In this study, a TaqMan‐based real‐time PCR assay specifically for PCV3 was established without cross‐reactions with other non‐targeted pig viruses. The sensitivity of the current approach is about 1.5 × 101 copies μL−1 plasmid DNA while the sensitivity of the conventional PCR is about 1.5 × 102 copies μL−1 plasmid DNA. Further, this assay was applied in the retrospective quarantine on serum samples of 601 commercial live boars imported to China from the United States, France and the United Kingdom from 2011 to 2017. The results revealed that PCV3 could be detected positive in the commercial boars imported from the United States and the above‐mentioned western European countries and phylogenetic study also revealed that viral isolates were grouped with some isolates from Korea and the United States. Our study suggested that PCV3 may be prevalent globally since 2011.
Giving the Treaty a Purpose: Comparing the Durability of Treaties and Executive Agreements
Authors: Nyarko Julian 
Published: January 2019

AbstractScholars have argued that Senate-approved treaties are becoming increasingly irrelevant in the United States, because their role can be fulfilled by their close but less politically costly cousin, the congressional-executive agreement. This study demonstrates that treaties are more durable than congressional-executive agreements, supporting the view that there are qualitative differences between the two instruments. Abandoning the treaty may therefore lead to unintended consequences by decreasing the tools that the executive has available to design optimal agreements.
Rough or wiggly? Membrane topology and morphology for fouling control
Authors: Ling Bowen , Battiato Ilenia 
Published: January 2019

During filtration in reverse osmosis membranes (ROM), the system performance is dramatically affected by membrane fouling which causes a significant decrease in permeate flux as well as an increase in the energy input required to operate the system. In this work, we develop a model, able to dynamically capture foulant evolution, that couples the transient Navier–Stokes and the advection–diffusion equations, with an adsorption–desorption equation for the foulant accumulation. The model is validated against unsteady measurements of permeate flux as well as steady-state spatial fouling patterns. For a straight channel, we derive a universal scaling relationship between the Sherwood and Bejan numbers, i.e. the dimensionless permeate flux through the membrane and the pressure drop along the channel, respectively, and generalize this result to membranes subject to morphological and/or topological modifications, i.e. whose shape (wiggliness) or surface roughness is altered from the rectangular and flat reference case. We demonstrate that a universal scaling can be identified through the definition of a modified Reynolds number, $Re^{\star }$, that accounts for the additional length scales introduced by the membrane modifications, and a membrane performance index, $\unicode[STIX]{x1D709}$, an aggregate efficiency measure with respect to both clean permeate flux and energy input required to operate the system. Our numerical simulations demonstrate that ‘wiggly’ membranes outperform ‘rough’ membranes for smaller values of $Re^{\star }$, while the trend is reversed at higher $Re^{\star }$. The proposed approach is able to quantitatively investigate, optimize and guide the design of both morphologically and topologically altered membranes under the same framework, while providing insights into the physical mechanisms controlling the overall system performance.
Thermohaline layering on the microscale
Authors: Radko Timour 
Published: January 2019

A theoretical model is developed which illustrates the dynamics of layering instability, frequently realized in ocean regions with active fingering convection. Thermohaline layering is driven by the interplay between large-scale stratification and primary double-diffusive instabilities operating at the microscale – temporal and spatial scales set by molecular dissipation. This interaction is described by a combination of direct numerical simulations and an asymptotic multiscale model. The multiscale theory is used to formulate explicit and dynamically consistent flux laws, which can be readily implemented in large-scale analytical and numerical models. Most previous theoretical investigations of thermohaline layering were based on the flux-gradient model, which assumes that the vertical transport of density components is uniquely determined by their local background gradients. The key deficiency of this approach is that layering instabilities predicted by the flux-gradient model have unbounded growth rates at high wavenumbers. The resulting ultraviolet catastrophe precludes the analysis of such basic properties of layering instability as its preferred wavelength or the maximal growth rate. The multiscale model, on the other hand, incorporates hyperdiffusion terms that stabilize short layering modes. Overall, the presented theory carries the triple advantage of (i) offering an explicit description of the interaction between microstructure and layering modes, (ii) taking into account the influence of non-uniform stratification on microstructure-driven mixing, and (iii) avoiding unphysical behaviour of the flux-gradient laws at small scales. While the multiscale approach to the parametrization of time-dependent small-scale processes is illustrated here on the example of fingering convection, we expect the proposed technique to be readily adaptable to a wide range of applications.
Adverbial and attributive modification of Persian separable light verb constructions
Authors: FLEISCHHAUER JENS , NEISANI MOZHGAN 
Published: January 2019

Persian makes extensive use of light verb constructions (LVCs) consisting of a non-verbal preverb and a semantically light verbal element. The current paper concentrates on LVCs with nominal preverbs (e.g.sedâ dâdan‘produce a sound’, lit. ‘sound give’) which license an attributively used adjective intervening between the two components of the construction. Such LVCs are idiomatically combining expressions, in the sense of Nunberg, Sag & Wasow (1994: 496). The individual components of idiomatically combining expressions have an identifiable meaning and combine in a non-arbitrary way. Thus, they are conceived as being formed compositionally. Evidence for this view can be taken from the fact that the attributively used adjectives function as internal modifiers, targeting only the nominal component of the LVC.As adjectives can also be used adverbially, two modification patterns emerge: The nominal preverb is modified by an attributive modifier, or the same adjective can be used as an adverbial modifier of the whole LVC. Two corresponding interpretation patterns arise: Attributive and adverbial modification either both result in the same, or in different interpretations.The paper makes the following claims: First, only compositionally derived LVCs license attributive modification of their nominal preverb; and second, different interpretations of the two modification patterns only result if the light verb and the preverb each license a suitable property as a target for the modifier. If, on the other hand, such a property is only licensed by the preverb, adverbial and attributive modification result in the same interpretation.