bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Studies on Novel Gridspiroarenes: Structures, Noncovalent Interactions and Reorganization Energies
Authors: Yang Lei , Yin Cheng‐Zhu , Ali Mohamad Akbar , Dong Chao‐Yang , Xie Xin‐Miao , Wu Xiang‐Ping , Mao Jie , Wang Yong‐Xia , Yu Yang , Xie Ling‐Hai , Bian Lin‐Yi , Bao Jian‐Min , Ran Xue‐Qin , Huang Wei 
Published: July 2019

Summary of main observation and conclusionOrganic semiconductor materials with low reorganization energy have various applications such as in organic light‐emitting diodes (OLEDs), organic field‐effect transistor (OFETs) and organic solar cells (OSCs). In this work, we have designed a new class of gridspiroarenes (GS‐SFX and GS‐SITF) with #‐shaped structures, which have novel crisscross geometrical structures compared to widely used spirocyclic arenes—SFX and SITF. The structure electronic properties, adiabatic ionization potentials (IPa), adiabatic electron affinities (EAa) and reorganization energies (λ) of GS‐SFX and GS‐SITF have been calculated using density functional theory (DFT) method. The calculated HOMO and LUMO spatial distributions suggest that GS‐SFX and GS‐SITF have better transport properties. The noncovalent interaction analysis shows the weak intramolecular interactions between their arms. The results indicate that the reorganization energies of GS‐SFX and GS‐SITF are significantly reduced compared to the dimer structures—DSFX and DSITF. Furthermore, the GS‐SITF1 which is one of the isomers of GS‐SITF exhibits the lowest values for λ(h) (0.067 eV) and λ(e) (0.153 eV). Therefore, we believe the predicted structure, electronic property, and reorganization energy are good indicator for transport materials. This work has systematically studied the effect of gridization, which provides insights to design organic semiconductor materials with excellent charge transport properties.
Formation of Mixed‐Metal Ceria Nanopeapod Composites within Scrolled Hexaniobate Nanosheets
Authors: Rostamzadeh Taha , Adireddy Shiva , Chin Clare Davis‐Wheeler , Abdallah Mahmoud Hani , Wiley John B. 
Published: July 2019

AbstractCeria hexaniobate nanopeapods have been prepared and their formation and assembly studied. Various sized ceria nanocubes (5 to 40 nm) were synthesized via a solvothermal approach with oleic acid and oleylamine capping agents. Utilizing a second solvothermal treatment, the nanoparticles were then captured within scrolling hexaniobate nanosheets to produce ceria@hexaniobate nanopeapods. In some instances, peapods were partially filled with ceria so that in a subsequent step, open sites could be filled with Au nanoparticles via in situ growth methods leading to arrangements of gold and ceria NPs within nanoscrolls. Studies on nanoparticle assembly and encapsulation were also carried out. Size‐selective preassembly of nanoparticles on hexaniobate nanosheet surfaces is observed prior to scrolling, after which smaller ceria NPs (ca. ≤ 10 nm) are efficiently captured inside scrolled nanosheets. Improved understanding and control of this behavior is important for further development of more intricate multicomponent particles assemblies and formations within varieties of tubular structures with different morphological and structural features.
Responsible leadership and employee's proenvironmental behavior: The role of organizational commitment, green shared vision, and internal environmental locus of control
Authors: Afsar Bilal , Maqsoom Ahsen , Shahjehan Asad , Afridi Sajjad Ahmad , Nawaz Adnan , Fazliani Hassan 
Published: July 2019

AbstractThis study develops a research model that elaborates the mechanism through which responsible leadership influences employee's proenvironmental behavior. Little is known, however, about the mechanisms through which this type of leadership affects proenvironmental behavior, and the conditions under which any such effects are enhanced or attenuated. The present research sought to fill this gap by examining a dual process model in which organizational commitment and green shared vision served as two explanatory mechanisms in the impact of responsible leadership on employee's proenvironmental behavior. Furthermore, we differentiated these two mechanisms by proposing employee's internal environmental locus of control as a moderator. Based on multilevel data collected from 329 employees and 88 supervisors in Pakistan, green shared vision mediated the effect of responsible leadership on proenvironmental behavior, and this indirect effect was stronger for employees with high internal environmental locus of control. However, the indirect relation between responsible leadership and proenvironmental behavior via organizational commitment did not occur. Results also supported that internal environmental locus of control moderated the indirect effect of responsible leadership on employee's proenvironmental behavior through organizational commitment, such that the indirect effect was significantly positive when internal environmental locus of control was high but nonsignificant when internal environmental locus of control was low. These findings provided valuable contribution to responsible leadership and employee's proenvironmental behavior, by exploring the relationships between them. Practical implications and directions for future research are also discussed.
Context fear learning and renewal of extinguished fear are dissociated in juvenile female rats
Authors: Park Chun Hui J. , Ganella Despina E. , Kim Jee Hyun 
Published: July 2019

AbstractExtinction is the decrease in emotion to a cue that was previously associated with an emotionally significant event. It involves repeated presentation of the cue without any consequences. In adult animals, extinguished fear to a cue can return if the cue is presented in a different environment/context to where extinction occurred, referred to as renewal. We have previously reported that developing female, but not male, rats show renewal. This study investigates whether the ability of developing female rats to show renewal is related to their ability in fear conditioning to the context. Additionally, facilitation of context conditioning by weaning previously shown in male rats was tested in developing female rats. In experiment 1, postnatal day 25 (P25) and P18 female rats showed renewal. P25 rats show more fear overall, suggesting a weaker extinction recall in this age. Experiment 2 tested context‐ and cue‐elicited fear either immediately or 24 hr following conditioning. At the immediate test, P18 rats showed less context‐fear compared with P25 rats. All rats showed low levels of context‐fear at the 24 hr test. There were no age differences in cued fear. Weaning at P21 did not affect context or cue memory in P25 female rats. These findings suggest that the ability to form contextual fear memory is unrelated to the expression of renewal in juvenile female rats.
Diné kinship as a framework for conserving native tree species in climate change
Authors: Yazzie Jaime O. , Fulé Peter Z. , Kim Yeon‐Su , Sánchez Meador Andrew 
Published: July 2019

AbstractClimate change affects all ecosystems but despite increasing recognition for the needs to integrate Indigenous knowledge with modern climate science, the epistemological differences between the two make it challenging. In this study, we present how Indigenous belief and knowledge system can frame the application of a modeling tool (Climate‐Forest Vegetation Simulator). We focus on managing forest ecosystem services of the Diné (Navajo) Nation as a case study. Most Diné tribal members depend directly on the land for their livelihoods and cultural traditions. The forest plays a vital role in Diné livelihoods through social, cultural, spiritual, subsistence, and economic factors. We simulated forest dynamics over time under alternative climate change scenarios and management strategies to identify forest management strategies that will maintain future ecosystem services. We initialized the Climate‐Forest Vegetation Simulator model with data from permanent plots and site‐specific growth models under multiple management systems (no‐management, thinning, burning, and assisted migration planting) and different climate scenarios (no‐climate‐change, RCP 4.5, RCP 6.0). Projections of climate change show average losses of basal area by over 65% by 2105, a shift in tree species composition to drier‐adapted species, and a decrease in species diversity. While substantial forest loss was inevitable under the warming climate scenarios, the modeling framework allowed us to evaluate the management treatments, including planting, for conserving multiple tree species in mixed conifer forests, thus providing an anchor for biodiversity. We presented the modeling results and management implications and discuss how they can complement Diné kinship concepts. Our approach is a useful step for framing modern science with Indigenous Knowledge and for developing improved strategies to sustain natural resources and livelihoods.
Eating disorders and disordered eating behaviors among women: Associations with sexual risk
Authors: Fergus Kirkpatrick B. , Copp Hillary L. , Tabler Jennifer L. , Nagata Jason M. 
Published: July 2019

AbstractObjectiveTo evaluate the association between eating disorders or disordered eating behaviors and sexual risk in young women.MethodWe used prospective cohort data of young women ages 18–26 years from the National Longitudinal Study of Adolescent to Adult Health (N = 5,899). Exposures of interest (at 18–26 years) included a self‐reported eating disorder diagnosis or disordered eating behaviors including fasting/skipping meals, vomiting, diet pills, or laxative/diuretic use to lose weight and binge eating. Sexual risk outcomes at 7‐year follow‐up included the number of new sexual partners, condom use, and sexually transmitted infections.ResultsHaving either an eating disorder or reporting any disordered eating behavior was associated with a greater number of new sexual partners (B = 1.09, 95% CI [0.18, 2.00]) and lower odds of condom use (odds ratio 0.70, 95% CI [0.53, 0.94] among a subsample of sexually active, unmarried women).DiscussionYoung women with eating disorders or who engage in disordered eating behaviors are at higher risk for multiple new sexual partners and unprotected sex. Clinicians caring for young adults with eating disorders may consider screening for sexual risk behaviors.
Laypeople Are Strategic Essentialists, Not Genetic Essentialists
Authors: Condit Celeste M. 
Published: July 2019

AbstractIn the last third of the twentieth century, humanists and social scientists argued that attention to genetics would heighten already‐existing genetic determinism, which in turn would intensify negative social outcomes, especially sexism, racism, ableism, and harshness to criminals. They assumed that laypeople are at risk of becoming genetic essentialists. I will call this the “laypeople are genetic essentialists model.” This model has not accurately predicted psychosocial impacts of findings from genetics research. I will be arguing that the failure of the model can be traced to its inability to recognize the complexity of laypeople’s attitudes; its incorrect theory of how beliefs, attitudes, and discourse function; and its blindness to how academics’ own interests can override the available evidence. More specifically, I suggest that the substantial data about laypeople’s deployment of genetics supports what I will call the “laypeople are strategic essentialists model” better than the “laypeople are genetic essentialists model.” The strategic essentialists model holds that people tend to store multiple categories, including multiple causal forces, that they deploy “strategically” to serve context‐dependent goals. It will be difficult for academics to reorient ourselves to model laypeople as sophisticated strategic essentialists rather than as naïve genetic essentialists. Perhaps a little shift, however, will be of value.
Modulating functional connectivity between medial frontopolar cortex and amygdala by inhibitory and excitatory transcranial magnetic stimulation
Authors: Riedel Philipp , Heil Matthias , Bender Stephan , Dippel Gabriel , Korb Franziska M. , Smolka Michael N. , Marxen Michael 
Published: July 2019

AbstractThe prefrontal‐limbic network in the human brain plays a major role in social cognition, especially cognitive control of emotion. The medial frontopolar cortex (mFP; Brodmann Area 10) and the amygdala are part of this network and display correlated neuronal activity in time, as measured by functional magnetic resonance imaging (fMRI). This functional connectivity is dynamic, sensitive to training, and affected in mental disorders. However, the effects of neurostimulation on functional connectivity within this network have not yet been systematically investigated. Here, we investigate the effects of both low‐ and high‐frequency repetitive transcranial magnetic stimulation (rTMS) to the right mFP on functional connectivity between mFP and amygdala, as measured with resting state fMRI (rsfMRI). Three groups of healthy participants received either low‐frequency rTMS (1 Hz; N = 18), sham TMS (1 Hz, subthreshold; N = 18) or high‐frequency rTMS (20 Hz; N = 19). rsfMRI was acquired before and after (separate days). We hypothesized a modulation of functional connectivity in opposite directions compared to sham TMS through adjustment of the stimulation frequency. Groups differed in functional connectivity between mFP and amygdala after stimulation compared to before stimulation (low‐frequency: decrease, high‐frequency: increase). Motion or induced changes in neuronal activity were excluded as confounders. Results show that rTMS is effective for increasing and decreasing functional coherence between prefrontal and limbic regions. This finding is relevant for social and affective neuroscience as well as novel treatment approaches in psychiatry.
A combination of low‐temperature reactive and extractive distillation for methoxy‐2‐propyl acetate synthesis and separation process: simulations and experiments
Authors: Wang Baohe , Cai Xinlei , Lu Liang , Ma Jing 
Published: July 2019

AbstractBACKGROUNDEsterification of methoxy propanol (MP) and acetic acid (HAC) to methoxy‐2‐propyl acetate (MPA) is a typical reversible reaction. The yield of MPA is low owing to the limitation of chemical equilibrium. In the present study, with the goal of increasing the reaction conversion and preventing the NKC‐9 cation exchange resin catalyst from deactivation at high temperature, a process combining low‐temperature reactive and extractive distillation with cyclohexane (C6H12) as entrainer was investigated by process simulations and experiment methods.RESULTSThe intrinsic kinetic parameters were obtained by catalyst activity evaluation in a batch reactor. Binary interaction parameters of thermodynamic models were determined by the measurement and fitting of vapor–liquid equilibrium data. The effects of different operating parameters on the reaction conversion and column performance were examined in detail, and a production process of MPA with an annual output of 56 000 tons was suggested. The results showed that the purity of MPA reached nearly 100% after further purification following reactive distillation, and the reaction temperature was controlled in the range 75–80 °C, which allowed long‐term operation thermal stability of the catalyst.CONCLUSIONThe developed low‐temperature reactive distillation method ensured a long life of the ion exchange resin catalyst, which should provide insights into further advances of MPA industrial production. © 2019 Society of Chemical Industry
Functional analysis of GALT variants found in classic galactosemia patients using a novel cell‐free translation method
Authors: Canson Daffodil M. , Silao Catherine Lynn T. , Caoili Salvador Eugenio C. 
Published: July 2019

ABSTRACTClassic galactosemia is an autosomal recessive disorder caused by deleterious variants in the galactose‐1‐phosphate uridylyltransferase (GALT) gene. GALT enzyme deficiency leads to an increase in the levels of galactose and its metabolites in the blood causing neurodevelopmental and other clinical complications in affected individuals. Two GALT variants NM_000155.3:c.347T>C (p.Leu116Pro) and NM_000155.3:c.533T>G (p.Met178Arg) were previously detected in Filipino patients. Here, we determine their functional effects on the GALT enzyme through in silico analysis and a novel experimental approach using a HeLa‐based cell‐free protein expression system. Enzyme activity was not detected for the p.Leu116Pro protein variant, while only 4.5% of wild‐type activity was detected for the p.Met178Arg protein variant. Computational analysis of the variants revealed destabilizing structural effects and suggested protein misfolding as the potential mechanism of enzymological impairment. Biochemical and computational data support the classification of p.Leu116Pro and p.Met178Arg variants as pathogenic. Moreover, the protein expression method developed has utility for future studies of GALT variants.
Cross‐border tourism: Case study of inbound Russian visitor arrivals to China
Authors: Chow Clement Kong Wing , Tsui Wai Hong Kan 
Published: July 2019

AbstractCross‐border tourism between Russia and China has increased over the past two decades, but few studies examine this development. This study uses the gravity model to investigate whether the tourism‐related, political, transport infrastructure‐related, and socio‐economic factors influence Russian visitors to China. The findings show that Russian visitors across the border to visit China are attributed to the Chinese prefectural‐level cities' real gross domestic product and export volumes, as well as transport infrastructure to connect Russian visitors to Chinese destinations. A clear knowledge of these factors allow both governments to formulate policies in facilitating visitor flows and more business activities across the border.
Immobilization Threshold and Fish Conductivity of Two Small Fishes
Authors: Lutnesky Marvin M. F. , Cradock Kenwyn R. , Reynolds James B. 
Published: July 2019

Abstract
Power transfer theory (PTT), a useful paradigm in electrofishing, asserts that the threshold power density (Dt, μW/cm3) transferred from water to fish for immobilization is dependent on the conductivity (μS/cm) of the water (σw) and of the fish (σf). Larger differences between the two conductivities require higher applied power densities and may make capture more difficult. Over a range of water conductivities, Dt as a function of σw will form a U-shaped curve, and the minimum provides an estimate of σf and Dm (the lowest value of Dt that occurs when σw and σf are equal). Studies have demonstrated a narrow range of σf (56–160 μS/cm) relative to the conductivity of natural waters (10–5,000 μS/cm). However, these σf values are for larger species. Electrofishing may also be directed at the capture of smaller species or diverse communities. In an experimental tank, we estimated Dm and σf for a small cyprinid, the Red Shiner Cyprinella lutrensis (TL = 35–64 mm) and a smaller poeciliid, the Western Mosquitofish Gambusia affinis (TL = 23–46 mm). We estimated Dm and σf to be 120 μW/cm3 and 23 μS/cm, respectively, for Red Shiners (n = 72) and 143 μW/cm3 and 23 μS/cm, respectively, for Western Mosquitofish (n = 23). These values for σf are less than half the minimum of previously reported values, and our Dm estimates are less than those that have been reported for game species of similar length (200–300 μW/cm3). Our results serve to explain why smaller species require higher applied power densities and are more difficult to capture from an assemblage of various species and sizes.
Uncertainty quantification of offshore anchoring systems in spatially variable soil using sparse polynomial chaos expansions
Authors: Charlton T. S. , Rouainia M. 
Published: July 2019

SummaryThe trend toward deep water energy production has led to a growing use of plate anchors to moor floating production facilities. The effect on anchor uplift behaviour of the inherent spatial variability of soil deposits has so far been little considered, despite having important implications for anchor design. Spatial variability problems are commonly analysed by Monte Carlo simulation but it is difficult to establish the probabilities of failure that are of interest in practice. In this paper, sparse polynomial chaos expansions (SPCEs) are used for moment and reliability analysis of plate anchors in spatially variable undrained clay. A novel two‐stage methodology is proposed: in the first stage, an SPCE is constructed to meet a target global error, allowing statistical moments of the uplift capacity to be obtained; in the second stage, an active learning method is used to refine the SPCE for reliability analysis. Anchor uplift capacity is obtained by a finite element method, which is coupled with a random field representation of spatial variability. The effect of embedment depth and the soil‐anchor interface is investigated. The failure mechanism of the anchor is shown to have a significant effect on the statistical moments of the uplift capacity and the probability of failure in relation to current design guidelines. To inform future design, factors of safety are presented for a range of failure probabilities.
Prevalence of overweight and obesity among African primary school learners: a systematic review and meta‐analysis
Authors: Adom T. , Kengne A. P. , De Villiers A. , Puoane T. 
Published: June 2019

SummaryIntroductionThe increasing trend in the global prevalence of childhood overweight and obesity presents a major public health challenge. This study reports the results of a systematic review and meta‐analysis to estimate the prevalence of overweight and obesity among primary school learners residing in Africa according to the different body mass index criteria and population level characteristics.MethodsA search of multiple databases was conducted to identify relevant research articles published between January 1980 and February 2017. Random effects models were used to pool prevalence data within and across population level characteristics after variance stabilization through arcsine transformation (PROSPERO registration number CRD42016035248).ResultsData from 45 studies across 15 African countries, and comprising 92,379 and 89,468 participants for overweight and obesity estimates were included. Estimated overweight and obesity prevalence differed significantly across criteria: 10.5% [95% confidence interval, CI: 7.1–14.3] and 6.1% [3.4–9.7] by World Health Organization; 9.5% [6.5–13.0] and 4.0% [2.5–5.9] by International Obesity Task Force; and 11.5% [9.6–13.4] and 6.9% [5.0–9.0] by Centre for Diseases Control, respectively (p = 0.0027 for overweight; p < 0.0001 for obesity). Estimates were mostly higher in urban, and private schools, but generally similar by gender, major geographic regions, publication year and sample size. Substantial heterogeneity in the estimates across and within criteria were not always explained by major study characteristics.ConclusionOverweight and obesity are prevalent among African primary school learners, particularly those attending urban, and private schools. The results from this meta‐analysis could be helpful in making informed decisions on childhood obesity prevention efforts in African countries.