bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural, surface, and computational analysis of two vitamin-B1 crystals with sulfonimide-based anions
Authors: Bellia Sophia A. , Teodoro Lara I. , Traver Joseph , Guillet Gary L. , Zeller Matthias , Hillesheim Patrick C. 
Published: September 2021

Abstract
Two crystals incorporating the thiamine·HCl cation and the fluorinated anion 1,3-disulfonylhexafluoropropyleneimide have been characterized via single-crystal X-ray diffraction. The host-guest interactions of thiamine with the anions are analyzed and characterized using Hirshfeld surface analysis. The cations in both structures form a dimer in the solid-state via reciprocal hydrogen bonding through the amine and hydroxyl moieties. Additional investigation into the interactions responsible for dimer formation found that the sulfur atom in the thiazolium ring interacting with several hydrogen atoms to form stabilizing interactions. These interactions in the dimer are further analyzed using reduced density gradient analysis and the results are correlated to the fingerprint plots derived from the Hirshfeld surfaces. Moreover, specific interactions are observed from the cyclical anions, with both the fluorine and sulfonyl oxygen atoms participating in bridging interactions, displaying the diverse host-guest properties of thiamine.
Bifurcation analysis in a predator–prey model with strong Allee effect
Authors: Zhu Jingwen , Wu Ranchao , Chen Mengxin 
Published: September 2021

Abstract
In this paper, strong Allee effects on the bifurcation of the predator–prey model with ratio-dependent Holling type III response are considered, where the prey in the model is subject to a strong Allee effect. The existence and stability of equilibria and the detailed behavior of possible bifurcations are discussed. Specifically, the existence of saddle-node bifurcation is analyzed by using Sotomayor’s theorem, the direction of Hopf bifurcation is determined, with two bifurcation parameters, the occurrence of Bogdanov–Takens of codimension 2 is showed through calculation of the universal unfolding near the cusp. Comparing with the cases with a weak Allee effect and no Allee effect, the results show that the Allee effect plays a significant role in determining the stability and bifurcation phenomena of the model. It favors the coexistence of the predator and prey, can lead to more complex dynamical behaviors, not only the saddle-node bifurcation but also Bogdanov–Takens bifurcation. Numerical simulations and phase portraits are also given to verify our theoretical analysis.
Aplicación de las técnicas de marketing sensorial en los establecimientos de moda: el caso de Zara y Stradivarius
Authors: Marín Dueñas Pedro Pablo , Gómez-Carmona Diego 
Published: September 2021

La creciente importancia de los portales de compra online frente al retail físico, hace necesario el desarrollo de estrategias en el punto de venta para que los consumidores sigan acudiendo a las mismas a comprar. Y, en este sentido, una de las grandes diferencias (por no decir el punto fuerte) entre la tienda física y la online es la experiencia física de poder tocar y sentir el producto. La tienda no debe ser entendida solo como un punto de venta, sino que se debe configurar como un espacio donde vivir experiencias. Y es aquí, integrada dentro de la estrategia de trade marketing, donde cobra especial relevancia el marketing de los sentidos. Partiendo de esta premisa, la presente investigación se centra en el estudio del marketing sensorial utilizado por las tiendas de moda del grupo Inditex Stradivarius y ZARA y, más concretamente, en como aplican estas técnicas en sus tiendas, desde el punto de vista del olfato, el oído, la vista y el tacto. Para ello se aplicará la metodología del análisis de contenido. De los resultados se desprende que estos establecimientos aplican de manera activa las técnicas de marketing sensorial, estando presentes en todas las tiendas, al objeto de mejorar la experiencia de compra de los consumidores.
The Hedgehog Signaling Pathway is Expressed in the Adult Mouse Hypothalamus and Modulated by Fasting
Authors: Antonellis Patrick J. , Engle Staci E. , Brewer Kathryn M. , Berbari Nicolas F. 
Published: September 2021

AbstractThe hedgehog signaling pathway is best known for its role in developmental patterning of the neural tube and limb bud. More recently, hedgehog signaling has been recognized for its roles in growth of adult tissues and maintenance of progenitor cell niches. However, the role of hedgehog signaling in fully differentiated cells like neurons in the adult brain is less clear. In mammals, coordination of hedgehog pathway activity relies on primary cilia and patients with ciliopathies such as Bardet–Biedl and Alström syndrome exhibit clinical features clearly attributable to errant hedgehog such as polydactyly. However, these ciliopathies also present with features not clearly associated with hedgehog signaling such as hyperphagia-associated obesity. How hedgehog signaling may contribute to feeding behavior is complex and unclear, but cilia are critical for proper energy homeostasis. Here, we provide a detailed analysis of the expression of core components of the hedgehog signaling pathway in the adult mouse hypothalamus with an emphasis on feeding centers. We show that hedgehog pathway genes continue to be expressed in differentiated neurons important for the regulation of feeding behavior. Furthermore, we demonstrate for the first time that pathway activity is regulated at the transcriptional level by fasting. These data suggest that hedgehog signaling is involved in the proper functioning of brain regions that regulate feeding behavior and that hedgehog pathway dysfunction may play a role in the obesity observed in certain ciliopathies.
Beethoven’s Theologian: Johann Michael Sailer and the Missa solemnis
Authors: Chong Nicholas 
Published: September 2021

Abstract
This article investigates Beethoven’s connection to the Bavarian Catholic theologian Johann Michael Sailer (1751–1832), the importance of which has been understated or misunderstood in the existing Beethoven literature. Drawing on historical studies of the complex relationship between Catholicism and the German Enlightenment, it provides a detailed and nuanced account of Sailer’s theology, situating it within the fierce debates that took place among German Catholics in this period. The article goes on to examine the contents of three books by Sailer in Beethoven’s possession, and to show how key ideas in these books resonate with features of Beethoven’s Missa solemnis, which he worked on around the time he was exposed to Sailer’s ideas. In conclusion, the article argues that a deeper understanding of Sailer and his possible influence on Beethoven should prompt a reconsideration of long-standing assumptions regarding the composer’s religious outlook, which may have been more sympathetic to Catholicism than has previously been supposed.
Private Struggles in Public Spaces
Authors: Angelo Dante , Britt Kelly , Brown Margaret Lou , Camp Stacey L. 
Published: September 2021

The COVID-19 pandemic has disrupted nearly every facet of our world, including some of the most fundamental forms of human behavior and our conception of the social. Everyday activities now pose a risk to individuals and to society as a whole. This radical shift in how we live has produced a wide array of material responses across the globe. This photo essay seeks to open up dialogue and ask questions about the numerous forms of COVID-19 materiality and altered landscapes that the authors have chronicled, witnessed, documented and cataloged in their communities, using archaeological and ethnographic methods. This materiality includes chalk art, graffiti, painted rocks and signage placed in both public and private spaces within the project authors’ communities. In framing our questions, we draw upon theoretical frameworks in the fields of cultural trauma studies, cultural anthropology and contemporary archaeology.
Stress-deformed state of the shell with a small initial deflection under the action of the end load
Authors: Pozhueva I. , Levitskaya Т. 
Published: September 2021

Purpose of work. Construction of method for calculating the stress-strain state of cylindrical shell with small initial deflection, to which an end load is applied, using the method of characteristics. Comparison of the calculation results of the obtained model with the works of other authors in this area.
Research methods. For the calculation, the equations of motion of the Timoshenko type shell were used, taking into account both the shear deformation and inertia of rotation, and some nonlinear terms, to which the method of characteristics was applied. To obtain the equations of shell motion, the Hamilton-Ostrogradsky variational principle was used.
Results method is proposed for calculating the stress-strain state of a cylindrical shell with a small initial deflection using characteristics. Comparative analysis of the calculation results with research in this area by other authors, which showed the effectiveness of the proposed method.
Scientific novelty. The equations of the classical theory of shells, based on the Kirchhoff-Love hypotheses, which do not take into account the shear deformation and inertia of rotation, as well as linear equations of the Timoshenko type, have become widespread. In this work, a model of the stress-strain state of an axisymmetric shell with small initial deflections is constructed, taking into account both shear deformation and rotational inertia, and some nonlinear terms.
Practical value. The proposed method can be used to calculate the stress-strain state of structures in which thin shells are present as elements, taking into account small initial deflection. This method makes it possible to study the influence of the characteristics of the initial deflection on the stress-strain state of the entire structure.
Design of a beam of variable cross-section on the elastic base by the quasi-analytical method considering boundary conditions
Authors: Shtanko Р. , Ryagin S. , Geletiy І. , Kononenko А. 
Published: September 2021

Purpose. Improvement of the quasi-analytical method of nonlinear differential equation solution and its approbation with reference to beams of variable cross-section on the elastic base with two base factors.
Research methods. Boundary conditions in the form of required number of correspondently transformed equations are added to the system of the linear algebraic equations which results from substitution of approximating function with constant factors (for example – power function) in the nonlinear differential equation and fixation of a set of variable values. The total number of the equations have to correspond to quantity of constant factors if the further solution will be carried out by an analytical method.
Results. Deflection diagram of a trapezoid concrete beam with rectangular cross-section of variable height on the elastic base with two base factors has been calculated during approbation. Average solution error was equal to 0.06%. Distributions of the bending moments and normal stresses along the beam have been researched.
Scientific novelty. The authors did not meet in literature such method of nonlinear differential equation solution.
Practical value. The quasi-analytical method with realised consideration of boundary conditions that has been offered can be used for solution of differential equations of any order with various types of nonlinearity, including calculations of beams of variable cross-section on the elastic base.
Properties of nickel-based superalloys of equiaxial crystallization
Authors: Glotka O. , Olshanetskii V. 
Published: September 2021

Purpose. The aim of the work is to obtain predictive regression models, with the help of which, it is possible to adequately calculate the mechanical properties of nickel-based superalloys of equiaxial crystallization, without carrying out preliminary experiments.
Research methods. To find regularities and calculate the latest CALPHAD method was chosen, and modeling of thermodynamic processes of phase crystallization was performed.
Results. As a result of experimental data processing, the ratio of alloying elements Kg¢ was proposed for the first time, which can be used to assess the mechanical properties, taking into account the complex effect of the main alloy components. The regularities of the influence of the composition on the properties of heat-resistant nickel alloys of equiaxial crystallization are established. The analysis of the received dependences in comparison with practical results is carried out. The relations well correlated with heat resistance, mismatch and strength of alloys are obtained.
Scientific novelty. It is shown that for multicomponent nickel systems it is possible with a high probability to predict a mismatch, which significantly affects the strength characteristics of alloys of this class. The regularities of the influence of the chemical composition on the structure and properties of alloys are established. A promising and effective direction in solving the problem of predicting the main characteristics of heat-resistant materials based on nickel is shown
Practical value. On the basis of an integrated approach for multicomponent heat-resistant nickel-based alloys, new regression models have been obtained that make it possible to adequately predict the properties of the chemical composition of the alloy, which made it possible to solve the problem of computational prediction of properties from the chemical composition of the alloy. This allows not only to design new nickel-based alloys, but also to optimize the composition of existing brands.
Influence of Irrigation Protocol on Peroxide Penetration into Dentinal Tubules Following Internal Bleaching: A Confocal Laser Scanning Microscopy Study
Authors: Elbahary Shlomo , Gitit Zafrir , Flaisher-Salem Nurit , Azem Hanaa , Shemsesh Hagay , Rosen Eyal , Tsesis Igor 
Published: September 2021

Introduction: Discoloration of anterior teeth can result in cosmetic impairment in young children. The walking bleach technique stands out because of its esthetic results with minor side effects. Little information is available regarding the influence of various irrigation solutions on peroxide penetration. The aim of this study is to evaluate the influence of different irrigation protocols on peroxide penetration into dentinal tubules using confocal laser scanning microscopy (CLSM).
Study design: Cavity preparations were made in 50 extracted permanent premolars. The teeth went through different irrigation sequences: A. control B. saline C. EDTA, NaOCl D. phosphoric acid E. EDTA, NaOCl, phosphoric acid. Then, mixture of fluorescent dyed sodium perborate paste was placed along the pulp chamber and the coronal access cavity, and was refilled at days 7, 14 and 21.
Results: The minimal and maximal penetration depths were 324 and 3045 μm, respectively, with a mean of 1607μm. The stained areas were significantly larger in the buccal and lingual directions (P&lt;0.05). Groups B and C showed significantly larger penetration in weeks 2 and 3 compared to week 1 (P&lt;0.05). Group D and E showed significantly larger penetration compared to groups B and C at all times (P&lt;0.05).
Conclusion: Bleaching agents penetrate to the extra-radicular region of teeth; however, the level of peroxide penetration is significantly higher when the irrigation sequence consists of phosphoric acid prior the bleaching agent placement.
Regional propagation characteristics and source parameters of earthquakes in northeastern North America
Authors: Boatwright John 
Published: September 2021

Abstract
The vertical components of the S wave trains recorded on the Eastern Canadian Telemetered Network (ECTN) from 1980 through 1990 have been spectrally analyzed for source, site, and propagation characteristics. The data set comprises some 1033 recordings of 97 earthquakes whose magnitudes range from M ≈ 3 to 6. The epicentral distances range from 15 to 1000 km, with most of the data set recorded at distances from 200 to 800 km. The recorded S wave trains contain the phases S, SmS, Sn, and Lg and are sampled using windows that increase with distance; the acceleration spectra were analyzed from 1.0 to 10 Hz. To separate the source, site, and propagation characteristics, an inversion for the earthquake corner frequencies, low-frequency levels, and average attenuation parameters is alternated with a regression of residuals onto the set of stations and a grid of 14 distances ranging from 25 to 1000 km. The iteration between these two parts of the inversion converges in about 60 steps. The average attenuation parameters obtained from the inversion were Q = 1997 ± 10 and γ = 0.998 ± 0.003. The most pronounced variation from this average attenuation is a marked deamplification of more than a factor of 2 at 63 km and 2 Hz, which shallows with increasing frequency and increasing distance out to 200 km. The site-response spectra obtained for the ECTN stations are generally flat. The source spectral shape assumed in this inversion provides an adequate spectral model for the smaller events (Mo &lt; 3 × 1021 dyne-cm) in the data set, whose Brune stress drops range from 5 to 150 bars. For the five events in the data set with Mo ≧ 1023 dyne-cm, however, the source spectra obtained by regressing the residuals suggest that an ω2 spectrum is an inadequate model for the spectral shape. In particular, the corner frequencies for most of these large events appear to be split, so that the spectra exhibit an intermediate behavior (where |ü(ω)| is roughly proportional to ω).
Modeling of energy amplification recorded within Greater Los Angeles using irregular structure
Authors: Saikia Chandan K. , Dreger Douglas S. , Helmberger Donald V. 
Published: September 2021

AbstractWe have investigated energy amplification observed within Greater Los Angeles basin by analyzing regional waveforms recorded from several Nevada Test Site (NTS) nuclear explosions. Although the stations are located nearly at the same azimuth (distances ranging from 350 to 400 km), the seismograms recorded in Compton (the central part of the basin), Long Beach (the southern edge of the basin), and downtown Los Angeles are remarkably different, even for a common explosion. Following the onset of Lg waves, the Long Beach sites have recorded surface waves for more than 100 sec. From one explosion, the sites within downtown Los Angeles have recorded seismograms with strong 3-sec surface waves. These waves are not observed on the seismograms recorded in the neighboring hard-rock site California Institute of Technology (CIT) station. Thus, they must have been generated by local wave guides. Numerically, we modeled these 3-sec waves by convolving the CIT seismogram with the response of a sedimentary strata dipping gently (about 6°) from CIT toward downtown. We also examined the irregular basin effect by analyzing the variation of cumulative temporal energy across the basin relative to the energy recorded at CIT from the same explosion. Variation up to a factor of 30 was observed. To model the energy variation that is caused by extended surface waves in the Long Beach area, we used numerically simulated site transfer functions (STF) from a NNE-SSW oriented two-dimensional basin structure extending from Montebello to Palos Verdes that included low-velocity sedimentary material in the uppermost layers. These STFs were convolved with the CIT seismogram recorded from the MAST explosion. To simulate elongated duration of surface waves, we introduced in the upper sedimentary structure some discontinuous microbasin structures of varying size, each microbasin delaying the seismic waves propagating through them. Consequently, the surface-reflected phases through these structures are delayed and reflected into the upper medium by the underlying interfaces. This mechanism helps delayed energy to appear at a later time and result in a longer time duration at sites located at southern edge of the basin.
New finite-difference methods for free surfaces with a stability analysis
Authors: Stacey Richard 
Published: September 2021

Abstract
New finite-difference formulations are given for the free surface of an elastic solid. It is argued that the new methods are better than earlier formulations in terms of both accuracy and stability. This conclusion is based on some new algebraic results and on a thorough analysis of the stability problems that can occur. It is backed up by extensive numerical testing. The explicit grid mode that makes the earlier “composed approximation” unstable is constructed. The construction generalizes to give general tests for instabilities. A criterion for using formulations that have relatively minor stability problems (the “useful life”) is stated and applied.
A note on surface motion of inhomogeneous alluvial valleys due to incident planeSHwaves
Authors: Clements David L. , Larsson Ashley 
Published: September 2021

AbstractThe scattering and diffraction of harmonic SH waves by an arbitrarily shaped inhomogeneous alluvial valley in a layered material is considered. A new formalism is used to obtain the appropriate wave solutions for inhomogeneous media, and these are employed together with the boundary integral equations to obtain numerical solutions for some important particular problems.
Estimation of source characteristics using plane wave decomposition
Authors: Shtivelman V. , Loewenthal D. 
Published: September 2021

Abstract
We present a simple and effective method for deterministic estimation of time-space characteristics of seismic sources. These characteristics (time signature, spatial distribution, and radiation pattern) can be important for such geophysical applications as deconvolution, inversion, and Amplitude Versus Offset (AVO) analysis. The proposed method can be applied to two-dimensional marine data obtained using the dual streamer acquisition technique. Our estimation procedure is based on decomposition of the measured wave field into plane waves with subsequent separation of up- and downgoing components. After the separation, a simple estimation algorithm formulated for the one-dimensional case is applied to each plane wave. Then the amplitudes of the plane waves measured at various propagation angles can be used to estimate the angular distribution of source radiation. Finally, the source time function and spatial distribution are estimated by synthesis of the plane waves. A number of numerical examples show that the proposed estimation procedure can produce good estimates of the source characteristics.