bluuebunny/crossref_metadata_2025_split huggingface dataset:
Statistical analysis of stress transmission in wet granular materials
Authors: Pouragha Mehdi , Wan Richard , Duriez Jerôme , Sultan Nauman Hafeez 
Published: July 2018

SummaryThe micromechanics of wet granular materials encompasses complex microstructural and capillary interconnects that can be readily described through a formal derivation of stress transmission in such a 3‐phase medium. In the quest for defining an appropriate stress measure, the stress tensor expression that results from homogenization [Duriez et al. J Mech Phys Solids 99 (2017): 495‐511] of such a medium provides theoretical insights necessary to extract useful information on the relationship between capillary effects and microforce interactions via several small‐scale parameters whose evaluation can be challenging. Using instead a statistical approach where microvariable distributions are described by probability density functions, the current study provides simple estimates of stress components in terms of only a few tractable microvariables such as coordination number and fabric anisotropy. In particular, the latter recognizes details of contacts such as force interactions being either mechanical or capillary, including interactions with and without mechanical contact. The developed expressions are in a good agreement with discrete element method simulation results of the triaxial loading of a wet granular assembly, notably for hydrostatic (mean) pressure. A new set of dimensionless groups is also identified to characterize the significance of mechanical and capillary physics, which facilitates a better understanding of the contribution of dominating elements to stress, while also providing the opportunity to incorporate important capillary effects in micromechanically based constitutive formulations.
Functional connectivity of the brain in older women with urgency urinary incontinence
Authors: Clarkson Becky D. , Karim Helmet T. , Griffiths Derek J. , Resnick Neil M. 
Published: July 2018

BackgroundThe brain's role in continence is critical but poorly understood. Although regions activated during bladder stimulation have been identified, little is known about the interaction between regions. In this secondary analysis we evaluate resting state and effective connectivity in older women treated for urgency urinary incontinence (UUI).Method54 women ≥60 years old with UUI and 10 continent women underwent fMRI scanning during provocation of urinary urgency, both before and after therapy. Response was defined by >50% reduction in leaks on bladder diary. Regions of interest (RoIs) were selected a priori: right insula, medial prefrontal cortex, and dorsal anterior cingulate cortex. Generalized psycho‐physiological interaction (gPPI) was used to calculate “effective connectivity” between RoIs during urgency. We performed a one‐way ANOVA pre‐treatment between groups (continent/responders/non‐responders), as well as a two‐way mixed ANOVA between group and time (responders/non‐responders; pre‐/post‐therapy) using false discovery rate (FDR) correction. Principal component analysis was used to assess the variance within RoIs. Exploratory voxel‐wise connectivity analyses were conducted between each RoI and the rest of the brain.ResultsRoI‐RoI connectivity analysis showed connectivity differences between controls, responders, and non‐responders, although statistical significance was lost after extensive correction. Principal component analysis confirmed appropriate RoI selection. Voxel‐wise analyses showed that connectivity in responders became more like that of controls after therapy (cluster‐wise correction P < 0.05). In non‐responders, no consistent changes were seen.ConclusionThese data support the postulate that responders and non‐responders to therapy may represent different subsets of UUI, one with more of a central etiology, and one without.
Application of an individualized and reassemblable 3D printing navigation template for accurate puncture during sacral neuromodulation
Authors: Zhang Jianzhong , Zhang Peng , Wu Liyang , Su Jun , Shen Jianwu , Fan Hao , Zhang Xiaodong 
Published: July 2018

ObjectiveTo evaluate the feasibility and safety of an individualized and reassemblable three‐dimensional (3D) printing navigation template for making accurate punctures during sacral neuromodulation (SNM).MethodsFrom July 2016 to July 2017, 24 patients undergoing SNM were enrolled. Conventional X‐ray guidance was used in the control group, which included 14 patients, while the 3D printing template was used in the experimental group, which included 10 patients. The number of punctures, the average puncture time, the exposure to X‐ray, the adjustment time during the operation and the testing of the SNM device, the infection and haemorrhage rate, and the implantable pulse generator (IPG) implantation rates were compared between the two groups.ResultsIn total, 24 patients successfully underwent stage I. When comparing the control group and the experimental group, the number of punctures were 9.6 ± 7.7 and 1.5 ± 0.7, respectively; the average puncture times were 35.4 ± 14.6 and 4.1 ± 2.2 min, respectively; and the X‐ray exposure levels were 8.37 ± 4.83 mAs and 2.34 ± 0.54 mAs, respectively. No postoperative complications were reported in either group. The IPG implantation rates were not different between the two groups.ConclusionThe 3D printing template for SNM can help us to perform accurate and quick punctures into the target sacral foramina, reduce X‐ray exposure, and shorten the operation time. For patients with obesity, sacral variation, sacral bone fractures or losses and for patients who are unable to tolerate the prone position during operation, use of the 3D printing template is recommended.
Assessing the association between subsistence strategies and the timing of weaning among indigenous archaeological populations of the Caribbean
Authors: Chinique de Armas Yadira , Pestle William 
Published: July 2018

AbstractHuman breastfeeding is a biocultural process shaped by the interaction of numerous biological, cultural, economic, and social factors. Although previous studies have found that a society's subsistence economy alone does not determine weaning timing, subsistence may still have a profound effect on weaning food choices. This paper analyses nitrogen and carbon stable isotopes in bone collagen and apatite of individuals from six precolonial Caribbean sites grouped into four subsistence categories: Hunter‐Fisher‐Gatherers (Cueva del Perico I and Cueva Calero, Cuba), Horticulturalists (Canímar Abajo, Cuba), Agriculturalists from the Antilles (Paso del Indio, Puerto Rico), and Agriculturalists of Mesoamerica (Marco Gonzalez and San Pedro, Belize) in order to explore how subsistence economy affected the different groups' breastfeeding and weaning practices. Ages for the start and the end of weaning, and the isotopic characteristics of possible food sources used as supplements during the weaning process, were assessed using the Bayesian probability model “Weaning Age Reconstruction with Nitrogen isotopes.” Model results indicate (a) a major dietary change around 2 years of age for most of the study populations, (b) that supplements seem to have been introduced into nonadults diet at earlier ages than has been observed in ethnographic populations of the area, (c) no direct correlation between the start of weaning and the availability of cultigens, but (d) that groups that had access to cultigens would appear to have weaned their children using foods with lower nitrogen isotope values, suggesting that plants (likely domesticates) may have had an important role as weaning foods.
Noncovalent interactions between O6‐corona[6]arene nanorings and fullerenes C60 and C70: atypical ring ball‐shaped host‐guest systems
Authors: Yuan Kun , Zhao Rui‐Sheng , Li Meng‐Yang , Liu Yan‐Zhi , Yuan Zhao , Zhao Sheng‐Dun , Zhao Xiang 
Published: July 2018

AbstractThe host‐guest complexes formed with quasi‐triangle‐shaped O6‐corona[3]arene[3]tetrazine (T) or O6‐corona[3]arene[3]pyridazine (P) nanorings as hosts and sphere‐like fullerene C60 or C70 as guests were investigated by density functional theory calculations with solvent effect (toluene, polarizable continuum model) being taken into account. Although the triangle‐shaped host has no geometric advantage for the fullerene recognition, the stable P@C60 (C70) and T@C70 have been experimentally detected. Therefore, on the point view of geometry features, O6‐corona[6]arenes@C60 (C70) can be regarded as a kind of atypical nano‐sized host‐guest systems. The geometry optimizations showed that fullerenes are not deeply encapsulated into the cavity of hosts O6‐corona[6]arenes but in a floating position on the cavities of hosts. The correlation between the binding energy (ΔEcp) and cavity size of the host manifests that the steric effect between host and guest is the decisive factor to determine the thermodynamic stability. The thermodynamic information indicates that the host‐guest binding processes are exothermic, enthalpy driven, and entropy opposed. Qualitative analysis based on the frontier orbital features shows that the recognition contributions brought by electron effect of charge transfer stabilization between the fullerene and the O6‐corona[6]arene nanorings can be basically excluded. Fluorescence emission spectroscopy of the free O6‐corona[6]arene molecules and their host‐guest complexes formed with fullerenes (C60 or C70) were simulated by using time‐dependent density functional theory. Additionally, the host‐guest interaction regions were detected and visualized in real space based on the electron density and reduced density gradient. Furthermore, Hirshfeld surface analysis was used for the investigation on the O6‐corona[6]arenes@C60 (C70) host‐guest interactions.
Partner market opportunities and union formation over the life course—A comparison of different measures
Authors: Eckhard Jan , Stauder Johannes 
Published: July 2018

AbstractEven in the online dating era, individuals will seek intimate partners who live physically nearby. This paper considers the validity of different partner market measures in German NUTS‐3 regions; the often used sex ratio is contrasted with different versions of the availability ratio (AR) and versions of the partner market density (PMD). The paper discusses (a) how conceptional aspects of the partner market are reflected in the various indicators. Using aggregated population data provided by German statistical offices, (b) the partner market in Germany is described as measured by the different partner market indicators. Linking them to micro‐level data from the German Socio‐economic Panel, the paper (c) compares the effects of the various partner market measures on union formation. A simple sex ratio does not show variance over the life course or between cohorts, nor does it determine the rate of couple formation. The AR and PMD reveal more plausible distributions by age and cohort and higher criterion validity, especially when accounting for availableness according to marital status. With regard to men, the AR demonstrates the strongest impact on union formation; with regard to women, PMD seems more important.
Long‐term sand dune spatio‐temporal dynamics and endemic plant habitat extent in the Athabasca sand dunes of northern Saskatchewan
Authors: Attanayake Anjika U. , Xu Dandan , Guo Xulin , Lamb Eric G. 
Published: July 2018

AbstractThe Athabasca sand dunes in northern Saskatchewan and north‐east Alberta are a unique landscape of moving sand that hosts nine narrowly distributed endemic vascular plant taxa. We modeled the extent of habitat for each species, corresponding dune morphologies in species habitat, spatial and temporal variation in dune environments, and rates of woody vegetation encroachment at dune boundaries to support an assessment of long‐term threats for the Athabasca endemic dune flora. Landsat images were used to maximize the time spans and areal coverage of the study. The Athabasca sand dunes are currently active and characterized morphologically by crescentic ridge and morphodynamically by transverse form dunes. Longitudinal sand movement parallel to the dune axis resulted in the creation of new dune areas along the east and south‐east boundaries of the dune fields at a rate of 0.14 km2 year−1. Forest succession along the western boundaries of the dune fields resulted at an annual dune loss of 1.98 km2 year−1. The net extent of dune stabilization between 1985 and 2014 was 53.76 km2 or nearly 20 percent of the total open sand dune extent. All habitat modeling methods showed robust performance (>0.5 AUC), with the best performance in most cases from generalized linear models. Estimated total available/occupied habitat was comparatively low for the least abundant species Achillea millefolium (38.92 km2) and Armeria maritima (48.82 km2), and of those areas 53.5% and 16.29%, respectively, are influenced by dune stabilization. Continuing stabilization of the Athabasca sand dunes region may present conservation concerns for these narrowly distributed endemic taxa.
A Bioisosteric and Scaffold Hopping Approach for the Design and Synthesis of Double Ring Replacement Analogues of 4‐Aryl‐4H‐Chromenes and in silico Tubulin Inhibitor Studies
Authors: Kottha Thirumalaswamy , Gnanasambandam Vasuki 
Published: July 2018

AbstractAn eco‐friendly reaction protocol was developed for the synthesis of heterocyclic hybrid scaffolds through bioisosteric replacement and scaffold hopping approach. The isosteric analogues of salicylaldehyde were designed, identified/synthesized and employed in a three component reaction to afford bioisosteric analogues of 4‐aryl‐4H‐chromenes. Thus central core swapping of benzene‐pyridine/pyrazole ring on 4‐aryl‐4H‐chromenes was achieved under simple one‐pot reaction conditions and easy work‐up. Docking studies show that almost all the compounds possess good binding affinities at the colchicine binding site of tubulin.
Kosmotropes Perturbation and Ambiphilic Dual Activation: Responsible Features for the Construction of C‐N Bond towards the Synthesis of Quinazolin‐4(3H)‐ones in Water
Authors: Dandia Anshu , Sharma Ruchi , Indora Aayushi , Parewa Vijay 
Published: July 2018

AbstractA novel water assisted strategy has been developed for the synthesis of quinazolinones by the reaction of o‐aminobenzamides 1 with benzyl alcohols 2 using NaCl in regioselective manner under microwave radiation (MW). NaCl and water plays an unprecedented and vital role in the reaction. NaCl create more space for the reactants in aqueous media and bring them in very close proximity for C−N bond formation through “kosmotropes perturbation”. There is no need of any metal, ligand and base for further activation of the reactants in the reaction because water trigger the reaction via “ambiphilic dual activation” of reactants through hydrogen bond accepter and donor ability in the pertinent C−N bond forming steps in the reaction. This “kosmotropes perturbation” and “ambiphilic dual activation” is the accountable attribute for making a new water‐assisted strategy. Several controlled experiments have been carried out to establish the suitable mechanism and stipulation of the reactions. The process illustrated significant selectivity for quinazolinones over dihydrogenated quinazolinones.
Role of the Feed Gas on the Selective Catalytic Dehydrogenation of Benzyl Alcohol over Cu/Hydrotalcite Catalyst
Authors: Gurram Venkata Ramesh Babu , Enumula Siva Sankar , Kondeboina Murali , Koppadi Kumara Swamy , Burri David Raju , Kamaraju Seetha Rama Rao 
Published: July 2018

AbstractThe present work highlights the utilization of CO2 as feed gas for the catalytic dehydrogenation of benzyl alcohol to benzaldehyde over supported Cu catalysts in continuous process. Powder X‐Ray Diffraction (XRD) patterns, N2O pulse chemisorption results, H2‐Temperature Programmed Reduction (H2‐TPR) profiles and Transmission Electron Microscopy (TEM) analysis suggests that Cu/hydrotalcite possess high dispersion with small Cu atoms. Due to the united effects of high metal dispersion and bifunctional acid base properties (as evidenced by Temperature Programmed Desorption (TPD) of CO2 and NH3), Cu/hydrotalcite catalyst offers better activity than Cu/Al2O3 and Cu/MgO. The presence of CO2 promotes reverse water gas shift reaction by consuming the in‐situ generated H2 in dehydrogenation process and maintains stable benzaldehyde selectivity. Whereas the presence of N2 promotes the disproportionation reaction and leads to decrease in benzaldehyde selectivity.
Direct Synthesis of Methylene‐Bridged Bis‐biaryl Carboxylates via Cascade Suzuki Coupling and CH2Cl2‐Based Bis‐esterification
Authors: Xiong Jin , Zhong Guofeng , Zou Lianghua , Liu Yunyun 
Published: July 2018

AbstractThe multicomponent reactions of iodobenzoic acids, aryl boronic acids, and dichloromethane (DCM) have been designed for the synthesis of various methylene‐bridged bis‐biaryl functionalized carboxylates. Under the catalysis of Pd(OAc)2, the formation of the products involves the cascade Suzuki coupling and CH2Cl2‐base bis‐esterification. The present work offers a direct and practical route to the synthesis of novel carboxylate scaffolds with extended diversity.
Switching Selectivity in the Hydrogen Transfer Reduction of Furfural
Authors: Scotti Nicola , Zaccheria Federica , Bisio Chiara , Vittoni Chiara , Ravasio Nicoletta 
Published: July 2018

AbstractSupported Cu catalysts and bare inorganic oxides have been tested in the reduction of furfural to furfuryl alcohol under hydrogen transfer reaction conditions by using butanol as a donor. Bare oxides like zirconia and alumina were found to be more active than the corresponding supported catalysts and in particular high surface Zirconia gave a quantitative transformation of the aldehyde into alcohol in 2,5 h at 140 °C according to a pure Meerwein‐Ponndorf‐Verley mechanism. Competitive dehydrogenation of the alcohol formed on the surface of Cu catalysts strongly reduces their activity although selectivity to alcohols on zirconia and alumina supported catalysts keeps very high. On the other hand catalysts with a well‐defined Lewis acid character such as highly dispersed Zirconia on Silica allowed to obtain up to 64% yield in 2‐butyl‐furfuryl‐ether under the same conditions.
SNS versus SNN Pincer Ligands: Electrochemical Studies and Their Palladium(II) Complexes as Electro‐Catalyst for Proton Reduction
Authors: Lawrence Mark A. W. , Mulder Willem H. 
Published: July 2018

AbstractElectrochemical measurements on pincer ligands bis‐N‐(2,5‐dimethoxyphenyl)pyridine‐2,6‐dicarbothioamide (pdcta) and 6‐(4,7‐dimethoxy‐2‐benzothiazolyl)‐N‐(2,5‐dimethoxyphenyl)‐2‐pyridinecarbothioamide (pbcta) in N,N‐dimethylformamide (DMF) and dimethylsulfoxide (DMSO) on a glassy carbon working electrode revealed sulfur centred electrochemical processes. Spectroscopic, elemental and electrochemical analyses indicated that pdcta coordinated to Pd(II) via a κ3‐SNS mode to give 1 whereas pbcta coordinated via a κ3‐SNN mode to give 2. Electrochemical measurements in DMF indicated that the reduction of Pd(II)→Pd(0) proceeded in a concerted manner in the 2, whereas reduction was resolved into the Pd(II)→Pd(I)→Pd(0) in the case of 1. In the presence of p‐toluenesulfonic acid, both palladium complexes displayed electro‐catalytic proton reduction in DMF, with associated overpotentials calculated to be 97 mV and 156 mV for 1 and 2, respectively. The data suggests that the κ3‐SNS pincer ligand enhances the activity of the Pd(II) towards proton reduction relative to 1.
Metallic MoS2 for High Performance Energy Storage and Energy Conversion
Authors: Jiao Yucong , Hafez Ahmed M. , Cao Daxian , Mukhopadhyay Alolika , Ma Yi , Zhu Hongli 
Published: July 2018

AbstractMetallic phase 2D molybdenum disulfide (MoS2) is an emerging class of materials with remarkably higher electrical conductivity and catalytic activities. The goal of this study is to review the atomic structures and electrochemistry of metallic MoS2, which is essential for a wide range of existing and new enabling technologies. The scope of this paper ranges from the atomic structure, band structure, electrical and optical properties to fabrication methods, and major emerging applications in electrochemical energy storage and energy conversion. This paper also thoroughly covers the atomic structure–properties–application relationships of metallic MoS2. Understanding the fundamental properties of these structures is crucial for designing and manufacturing products for emerging applications. Today, a more holistic understanding of the interplay between the structure, chemistry, and performance of metallic MoS2 is advancing actual applications of this material. This new level of understanding also enables a myriad of new and exciting applications, which motivated this review. There are excellent reviews already on the traditional semiconducting MoS2, and this review, for the first time, focuses on the uniqueness of conducting metallic MoS2 for energy applications and offers brand new materials for clean energy application.
Three‐Layered Hollow Nanospheres Based Coatings with Ultrahigh‐Performance of Energy‐Saving, Antireflection, and Self‐Cleaning for Smart Windows
Authors: Yao Lin , Qu Zhe , Pang Zili , Li Jing , Tang Siyao , He Junhui , Feng Lili 
Published: July 2018

AbstractIn this study, a well‐controlled interfacial engineering method for the synthesis of SiO2/TiO2/VO2 three‐layered hollow nanospheres (TLHNs) and TLHNs‐based multifunctional coatings is reported. The as‐prepared coatings allow for an outstanding integration of thermochromism from the outer VO2(M) layer, photocatalytic self‐cleaning capability from the middle TiO2(A) layer, and antireflective property from internal SiO2 HNs. The TLHNs coatings exhibit excellent optical performance with ultrahigh luminous transmittance (Tlum‐l = 74%) and an improved solar modulation ability (ΔTsol = 12%). To the best knowledge, this integrated optical performance is the highest ever reported for TiO2/VO2‐based thermochromic coatings. An ingenious computation model is proposed, which allows the neff of nanostructured coatings to be rapidly obtained. The experimental and calculated results reveal that the unique three‐layered structure significantly reduces the refractive index (from 2.25 to 1.33 at 600 nm) and reflectance (Rave, from 22.3 to 5.3%) in the visible region as compared with dense coatings. Infrared thermal imaging characterization and self‐cleaning tests provide valid evidence of SiO2/TiO2/VO2 TLHNs coatings' potential for energy‐saving and self‐cleaning smart windows. The exciting inexpensive and universal fabrication process for well‐defined structures may inspire various developments in processable and multifunctional devices.
Various Structures of 2D Transition‐Metal Dichalcogenides and Their Applications
Authors: Wei Zhongming , Li Bo , Xia Congxin , Cui Yu , He Jun , Xia Jian‐Bai , Li Jingbo 
Published: July 2018

Abstract2D transition‐metal dichalcogenides (TMDs), which exhibit fascinating and fantastic properties, have promising applications in future electronic devices and photoelectric devices. Here, the recent research on 2D TMDs is summarized, including single components, 2D doped TMDs, and 2D van der Waals heterostructures. The physical picture, synthetic methods, and optoelectronic properties of these 2D materials are comprehensively described. Opportunities and emerging applications of 2D materials in the future are briefly discussed.