bluuebunny/crossref_metadata_2025_split huggingface dataset:
Generalized F‐discrepancy‐based point selection strategy for dependent random variables in uncertainty quantification of nonlinear structures
Authors: Yang Junyi , Tao Jinju , Sudret Bruno , Chen Jianbing 
Published: December 2019

SummaryIn the performance evaluation of structures under disastrous actions, for example, earthquakes, it is important to take into account the randomness of structural parameters. Generally, these random parameters are treated either as independent or perfectly dependent, but practically they are partly dependent. This article aims at developing a point selection strategy for uncertainty quantification of nonlinear structures involving probabilistically dependent random parameters characterized by copula function. For this purpose, the point selection strategy for structures involving independent basic variables is first revisited. As an improvement, a generalized F‐discrepancy diminishing oriented iterative screening algorithm is proposed. Then, combining with the conditional sampling method, a conditional point set rearrangement method and a conditional iterative screening‐rearrangement method are proposed for probabilistically dependent variables. These new point selection strategies are readily incorporated into the probability density evolution method for uncertainty quantification of nonlinear structures involving dependent random parameters, which is characterized by copula function. The proposed methods are illustrated by two examples including a shear frame with hysteretic restoring forces and a reinforced concrete frame structure with the damage constitutive model of concrete, where the material parameters are probabilistically dependent. The results demonstrate the effectiveness of the proposed method. Problems to be studied are discussed.
An assessment of numerical techniques to find energy‐minimizing microstructures associated with nonconvex potentials
Authors: Kumar Siddhant , Vidyasagar A. , Kochmann Dennis M. 
Published: December 2019

SummaryMicrostructural patterns emerge ubiquitously during phase transformations, deformation twinning, or crystal plasticity. Challenges are the prediction of such microstructural patterns and the resulting effective material behavior. Mathematically, the experimentally observed patterns are energy‐minimizing sequences produced by an underlying non‐(quasi)convex strain energy. Therefore, identifying the microstructure and effective response is linked to finding the quasiconvex, relaxed energy. Due to its nonlocal nature, quasiconvexification has traditionally been limited to (semi‐)analytical techniques or has been dealt with by numerical techniques such as the finite element method (FEM). Both have been restricted to primarily simple material models. We here contrast three numerical techniques—FEM, a Fourier‐based spectral formulation, and a meshless maximum‐entropy (max‐ent) method. We demonstrate their performance by minimizing the energy of a representative volume element for both hyperelasticity and finite‐strain phase transformations. Unlike FEM, which fails to converge in most scenarios, the Fourier‐based spectral formulation (FFT) scheme captures microstructures of intriguingly high resolution, whereas max‐ent is superior at approximating the relaxed energy. None of the methods are capable of accurately predicting both microstructures and relaxed energy; yet, both FFT and max‐ent show significant advantages over FEM. Numerical errors are explained by the energy associated with microstructural interfaces in the numerical techniques compared here.
Antiferromagnetic Alkali Metal Oxohydroxoferrates(III) with Correlated Hydrogen Bonding Systems
Authors: Albrecht Ralf , Hunger Jens , Hölzel Markus , Block Theresa , Pöttgen Rainer , Doert Thomas , Ruck Michael 
Published: December 2019

AbstractThe oxohydroxoferrates(III) A2[Fe2O3(OH)2] (A=K, Rb, Cs) were synthesized under hydroflux conditions. Approximately equimolar mixtures of the alkali metal hydroxides and water were reacted with Fe(NO3)3 ⋅ 9H2O at about 200 °C. The product formation depends on the hydroxide concentration, therefore also other reaction products, such as KFeO2, K2−x[Fe4O7−x(OH)x] or α‐Fe2O3, are obtained. The crystal structures of the oxohydroxoferrates(III) A2[Fe2O3(OH)2] follow the same structural principle, yet differ in their layer stacking or/and their hydrogen bonding systems depending on A and temperature. In the resulting four different orthorhombic structure types, [FeO3OH]4− tetrahedra share their oxide corners to create folded
Fe2O3(OH)2]2− layers. The terminal hydroxide ligands form hydrogen bonds between and/or within the layers. The positions of the hydrogen atoms in these networks are correlated. The A+ cations are located between the folded anionic layers as well as in their trenches. Under reaction conditions, the potassium compound crystallizes in the space group Cmce (Pearson symbol oC88), showing a bimodal disorder of the hydrogen atoms in hydrogen bridges. In a virtually hysteresis‐less first‐order transition at 340(2) K, the structure slightly distorts into the room‐temperature modification with the subgroup Pbca (oP88), and the hydrogen atoms order. The rubidium and caesium compounds are isostructural to each other but not to the potassium compound, and are always obtained as mixtures of two modifications with space groups Cmce (oC88′) and Immb (oI88). Upon heating, the oxohydroxoferrates decompose into their anhydrides AFeO2 and water. The type of hydrogen bonding network influences the decomposition temperature, the structure and the morphology of the crystals. Despite the presence of iron(III), which was confirmed by 57Fe‐Mössbauer spectroscopy, K2[Fe2O3(OH)2] is diamagnetic in the investigated temperature range between 1.8 and 300 K. Neutron diffraction revealed strong antiferromagnetic coupling of the magnetic moments, which are inverted in neighboring tetrahedra.
Anthracene‐Based Amido−Amine Cage Receptor for Anion Recognition under Neutral Aqueous Conditions
Authors: Morozov Boris S. , Namashivaya Siva S. R. , Zakharko Marina A. , Oshchepkov Aleksandr S. , Kataev Evgeny A. 
Published: December 2019

AbstractA new amido−amine cage receptor, which combines 1,8‐anthracene diacarboxamide subunit and a polyammonium azamacrocycle, is reported. Bearing both the hydrogen bond donor and the acceptor binding sites, the receptor is able to bind phosphate selectively under neutral (pH 7.2) aqueous conditions. The recognition events for phosphate and dicarboxylates are accomplished by a fluorescence enhancement in the anthracene emission. As revealed by experimental and theoretical studies, phosphate and oxalate show different recognition modes. Phosphate demonstrates hydrogen bond acceptor properties, while the coordination of oxalate favours the protonation of the receptor.
Is the behavioral component in the Family Assessment Device uni‐ or multidimensional?
Authors: Tan Jason H. P. , Tsamparli Anastasia , Adamis Dimitrios 
Published: December 2019

AbstractThe Family Assessment Device is a tool that helps to see the extent of family functioning, and there have been many published articles concerning its psychometric properties. However, the Behavior Control subscale has shown consistent low Cronbach's α scores which suggests that this component may be multidimensional in construct.
Mechanisms of 1,4‐dipolar cycloaddition between propa‐1,2‐diene and imines catalyzed by PBu3: A DFT investigation
Authors: Zhou Da‐Gang 
Published: December 2019

AbstractThe mechanisms for the 1,4‐dipolar catalytic cycloaddition between ethyl 2‐methylbuta‐2,3‐dienoate and (E)‐N‐ethylidene‐4‐methylbenzenesulfonamide were studied with M06‐2X‐D3/6‐311+G(d,p) level, and IEFPCM was applied to simulate the solvent effect of DCM. The computational results suggested that ethyl 2‐methylbuta‐2,3‐dienoate and tributylphosphine first had an interaction; then, an electrophilic reaction occurred, and one new C─C bond has been formed; lastly, there are two possible processes to achieve this reaction. The Gibbs free energy surfaces indicate that the favor path is that PBu3 as the catalyst and oxidant can help to accelerate this reaction to yield the final product ethyl 6‐methyl‐1‐tosyl‐1,2,5,6‐tetrahydropyridine‐3‐carboxylate with lower energy barrier. Our results demonstrated that these reactions can take place at a certain condition, in good agreement with the experimental observation.
Pore sealing mechanism in OSG low‐k films under ion bombardment
Authors: Voronina Ekaterina N. , Sycheva Anastasia A. , Lopaev Dmitry V. , Rakhimova Tatyana V. , Rakhimov Alexander T. , Proshina Olga V. , Voloshin Dmitry G. , Zyryanov Sergey M. , Zotovich Alexey I. , Mankelevich Yuri A. 
Published: December 2019

AbstractOrganosilicate glass (OSG) nanoporous films with a low dielectric constant (low‐k) are used as interlayer‐dielectric insulators for advanced interconnects of ultra‐large‐scale integration devices. Plasma treatment of these materials can lead to their degradation resulting in increasing k‐value and reducing lifetime and reliability. However, for some OSG films, the densification of the uppermost surface layer and pore sealing was observed under ion irradiation. This paper presents the results of a combined experimental and modeling study of mechanisms of low‐k film densification by ion bombardment depending on the film‐pore size, ion type, and energy. The obtained results reveal that experimentally observed densification and pore sealing of uppermost layers of OSG films occur via collapse of near‐surface pores under the impact of energetic ions.
How does the moderate wavy surface affect the discharge behavior in an atmospheric helium dielectric barrier discharge model?
Authors: Wang Qiao , Ning Wenjun , Dai Dong , Zhang Yuhui 
Published: December 2019

AbstractA conventional parallel‐plate dielectric barrier discharge (DBD) model but with one dielectric layer having a wavy surface is purposely built for better understanding the plasma–surface interaction. The results of simulation under a kilohertz‐level alternating current voltage source indicate that the surface tends to impair the discharge uniformity and stimulate complementary filamentation. Upon analyzing the detailed transient processes, it is found that the alternations of filament positions in positive and negative discharges are mainly attributed to the local residual electrons and the electric field distortion near the wavy surface. Furthermore, the trends of discharge intensity and filament number under the variation of surface fluctuation are also revealed. The conclusions drawn here are general and would be helpful in understanding the plasma–surface interaction of the DBD with surface fluctuation.
Development of Propellant Compositions for Vat Photopolymerization Additive Manufacturing
Authors: Straathof Michiel H. , van Driel Chris A. , van Lingen Joost N. J. , Ingenhut Bastiaan L. J. , ten Cate A. Tessa , Maalderink Hessel H. 
Published: December 2019

AbstractA photocurable energetic resin was developed for photopolymerization additive manufacturing. The composition contains 50 wt % RDX, 25 wt % acrylate binder, and 25 wt % energetic plasticizer. The material was characterized in terms of compatibility, printability, mechanical properties and (ballistic) performance. The possibility of printing energetic items of increasing complexity was demonstrated through various print trials. The culmination of the research effort was the firing of a 30 mm gun setup with 3D‐printed propellant.
Performance of BCHMX in Small Charges
Authors: Lewczuk Rafał , Koślik Piotr , Rećko Judyta 
Published: December 2019

AbstractEnergetic materials are rarely utilized in a pure form but knowing their properties is important from the scientific perspective. In this work we did some experiments to assess explosive properties of BCHMX in the charges with small diameters. First, the compound was recrystallized from different solvents to obtain particles with appropriate shape and size distribution. The samples were characterized mainly with SEM and sensitivity testing. The detonation velocity of BCHMX with charge diameters of 5.0 mm and 7.5 mm was measured with short circuit sensors. Underwater explosion test was conducted to determine the initiation power of detonators containing BCHMX and RDX. Both materials had high performance under the test conditions.
Rapid adjustment and post‐processing of temperature forecast trajectories
Authors: Schuhen N. , Thorarinsdottir T. L. , Lenkoski A. 
Published: December 2019

AbstractModern weather forecasts are commonly issued as consistent multi‐day forecast trajectories with a time resolution of 1–3 hours. Prior to issuing, statistical post‐processing is routinely used to correct systematic errors and misrepresentations of the forecast uncertainty. However, once the forecast has been issued, it is rarely updated before it is replaced in the next forecast cycle of the numerical weather prediction (NWP) model. This paper shows that the error correlation structure within the forecast trajectory can be utilized to substantially improve the forecast between the NWP forecast cycles by applying additional post‐processing steps each time new observations become available. The proposed rapid adjustment is applied to temperature forecast trajectories from the UK Met Office's convective‐scale ensemble MOGREPS‐UK. MOGREPS‐UK is run four times daily and produces hourly forecasts for up to 36 hours ahead. Our results indicate that the rapidly adjusted forecast from the previous NWP forecast cycle outperforms the new forecast for the first few hours of the next cycle, or until the new forecast itself can be rapidly adjusted, suggesting a new strategy for updating the forecast cycle.
On the opposing roles of the Boussinesq and non‐Boussinesq baroclinic torques in surface gravity wave propagation
Authors: Heifetz Eyal , Maor Ron , Guha Anirban 
Published: December 2019

AbstractHere we suggest an alternative understanding of the surface gravity wave propagation mechanism based on the baroclinic torque, which operates to translate the interfacial vorticity anomalies at the air–water interface. We demonstrate how the non‐Boussinesq term of the baroclinic torque acts against the Boussinesq one to hinder wave propagation. By standard vorticity inversion and mirror imaging, we then show how the existence of the bottom boundary affects the two types of torque. Since the opposing non‐Boussinesq torque results solely from the mirror image, it vanishes in the deep‐water limit and its magnitude is half of the Boussinesq torque in the shallow‐water limit. This reveals that the Boussinesq approximation is valid in the deep‐water limit, even though the density contrast between air and water is large. The mechanistic roles played by the Boussinesq and non‐Boussinesq parts of the baroclinic torque remain obscured in the standard derivation where the time‐dependent Bernoulli equation is implemented instead of the interfacial vorticity equation. Finally, we note on passing that the Virial theorem for surface gravity waves can be obtained solely from considerations of the dynamics at the air–water interface.
The measurement of KRAS G12 mutants using multiplexed selected reaction monitoring and ion mobility mass spectrometry
Authors: Norman Rachel L , Singh Rajinder , Langridge James I. , Ng Leong L. , Jones Donald J.L. 
Published: December 2019

RationaleThere is a considerable clinical demand to determine key mutations in genes involved with cancer which necessitates the deployment of highly specific and robust analytical methods. Multiplex liquid chromatography with selected reaction monitoring (LC/SRM) assays offer the ability to achieve quantitation down to levels expected to be present in clinical samples. Ion mobility mass spectrometry (IMS/MS) assays can provide increased peak capacity and hence separation in an extremely short time frame, and in addition provide physicochemical data regarding the collision cross‐section of an analyte which can be used in conjunction with the m/z value of an ion to increase detection specificity.MethodsFor LC/SRM, unlabelled peptides and corresponding stable‐isotope‐labelled standards were spiked into digested human plasma and analysed using ultrahigh‐performance liquid chromatography (UHPLC) coupled to a triple quadrupole mass spectrometer to enable the generation of analyte‐specific calibration lines. Synthetic unlabelled peptides were infused into a Synapt G2 mass spectrometer for travelling wave ion mobility separation and TWCCSN2 values were derived from comparison with previously generated TWCCSN2 calibration values.ResultsLinear calibration lines (0.125 to 25 fmol/μL) were established for each of the KRAS peptides. UHPLC separated the peptides and hence enabled them to be split into different retention time functions/windows. This separation enabled detection of three or four transitions for each light and heavy peptide with at least 10 points per peak for accurate quantitation. All six KRAS G12 peptides were separated using IMS/MS, enabling precise TWCCSN2 values to be determined. Although some of the G12 peptides chromatographically co‐eluted, all the peptides were distinguished by m/z, retention time and/or drift time.ConclusionsThis study advocates that LC/SRM and IMS/MS could both be used to identify single amino acid substitutions in KRAS as an alternative to commonly used methods such as circulating tumour DNA analysis.
Spinal parenchymal occupation by neural stem cells after subpial delivery in adult immunodeficient rats
Authors: Marsala Martin , Kamizato Kota , Tadokoro Takahiro , Navarro Michael , Juhas Stefan , Juhasova Jana , Marsala Silvia , Studenovska Hana , Proks Vladimir , Hazel Tom , Johe Karl , Kakinohana Manabu , Driscoll Shawn , Glenn Thomas , Pfaff Samuel , Ciacci Joseph 
Published: December 2019

Abstract
Neural precursor cells (NSCs) hold great potential to treat a variety of neurodegenerative diseases and injuries to the spinal cord. However, current delivery techniques require an invasive approach in which an injection needle is advanced into the spinal parenchyma to deliver cells of interest. As such, this approach is associated with an inherent risk of spinal injury, as well as a limited delivery of cells into multiple spinal segments. Here, we characterize the use of a novel cell delivery technique that employs single bolus cell injections into the spinal subpial space. In immunodeficient rats, two subpial injections of human NSCs were performed in the cervical and lumbar spinal cord, respectively. The survival, distribution, and phenotype of transplanted cells were assessed 6-8 months after injection. Immunofluorescence staining and mRNA sequencing analysis demonstrated a near-complete occupation of the spinal cord by injected cells, in which transplanted human NSCs (hNSCs) preferentially acquired glial phenotypes, expressing oligodendrocyte (Olig2, APC) or astrocyte (GFAP) markers. In the outermost layer of the spinal cord, injected hNSCs differentiated into glia limitans-forming astrocytes and expressed human-specific superoxide dismutase and laminin. All animals showed normal neurological function for the duration of the analysis. These data show that the subpial cell delivery technique is highly effective in populating the entire spinal cord with injected NSCs, and has a potential for clinical use in cell replacement therapies for the treatment of ALS, multiple sclerosis, or spinal cord injury.

Significance statement This article describes a novel subpial spinal cell delivery technique that does not require direct spinal tissue needle penetration and is associated with robust spinal cord occupation by subpially injected cells. The effectiveness of this cell delivery technique was validated in long-term studies in immunodeficient rats receiving subpial injection of human neural precursors. This is the first report to demonstrate the successful spinal cell occupation by neural stem cells, which do not require invasive central nervous system or spinal cord cell delivery. Because of the simplicity of this approach, the use of this technique can substantially improve current clinical protocols aimed at spinal delivery of therapeutic cells in the treatment of spinal neurodegenerative disorders.
Contribution of green infrastructure to the implementation of green economy in the context of sustainable development
Authors: Khoshnava Seyed Meysam , Rostami Raheleh , Zin Rosli Mohamad , Štreimikiene Dalia , Yousefpour Alireza , Mardani Abbas , Alrasheedi Melfi 
Published: December 2019

AbstractThe green term, as the concurrence of opinion between infrastructure and economy, has the ability to integrate natural resources and environmental services into the national income and wealth account. However, the mutual effects of green infrastructure (GI) and green economy (GE) are not always clear. This study aims to develop the influences of GI criteria into the implementation of GE in the context of sustainable development (SD) through using novel hybrid methods: the decision‐making trial and evaluation laboratory (DEMATEL) method was used to examine the efficiency and interrelationship among GI criteria; the analytical network process (ANP) was used to prioritize GI criteria based on their influences on three GE indicators; and the remaining two stages applied the hybridization and integration methods, with MATLAB software, to finalize the results. Results from the hybridization method showed that the weights of the GI criteria differed based on three GE indicators. Affordability is a prime GI criteria at 61% based on the socio‐economic indicator. However, this prime weight was at 43% based on the eco‐environment indicator, and at 32% based on resource efficiency plus 31% based on socio‐environment indicator. The final results were finalized with integration method, which demonstrated the contribution GI criteria made to GE implementation. The highest weight percentages appertained to affordability (61%) and resource efficiency (21%), while the minority weight of 18% went to the rest of the GI criteria. Primarily, the affordability and resource efficiency categories were found to empower green infrastructure for the implementation of green economy in the SD context.
Importance of Volume Ratio in Photonic Effects of Lanthanide‐Doped LaPO4 Nanocrystals
Authors: Luo Yuxia , Li Liyi , Wong Hon Tung , Wong Ka‐Leung , Tanner Peter A. 
Published: December 2019

AbstractExperimental variation of the volume ratio (filling factor: i.e., volume of nanoparticles (NPs) compared with that of medium) of nanocomposite materials with doped lanthanide ions demonstrates that it has a significant affect upon local field effects. Lanthanum orthophosphate NPs are doped with Eu3+ and/or Tb3+ and immersed in organic solvents and lead borate glasses for Tb3+ 5D4 lifetime measurements. For media with a refractive index (nmed) less than that of LaPO4 (nnp = 1.79), the 5D4 emission decay rate increases with increasing volume ratio of the NPs, whereas for nmed > 1.79, the decay rate decreases with increasing volume ratio. Fitting with the model of Pukhov provides an estimation of the radiative lifetime of 5D4 and the quantum yield. Energy transfer (ET) from Tb3+ to Eu3+ occurs in co‐doped LaPO4 NPs with excitation into a Tb3+ absorption band. The ET rate is independent on nmed and the energy transfer efficiency decreases with an increase in nmed. The behavior of ET rate with regard to the local field is consistent with the Dexter, but not Förster, equation for ET rate involving the electric dipole–electric dipole mechanism. This has consequences when using the spectroscopic ruler approach to measure distances between donor–acceptor chromophores.