bluuebunny/crossref_metadata_2025 huggingface dataset:
Thieno[3,4‐c]pyrrole‐4,6‐dione Oligothiophenes Have Two Crossed Paths for Electron Delocalization
Authors: Yuan Dafei , Medina Rivero Samara , Mayorga Burrezo Paula , Ren Longbin , Sandoval‐Salinas María E. , Grabowski Sławomir J. , Casanova David , Zhu Xiaozhang , Casado Juan
Published: June 2018

A new series of electron‐deficient oligothiophenes, thieno[3,4‐c]pyrrole‐4,6‐dione oligothiophenes (OTPDn), from the monomer to hexamer, is reported. The optical and structural properties in the neutral states have been analyzed by absorption and emission spectroscopy together with vibrational Raman spectroscopy. In their reduced forms, these molecules could stabilize both anions and dianions in similar ways. For the dianions, two independent modes of electron conjugation of the charge excess were observed: the interdione path and the interthiophene path. The interference of these two paths highlighted the existence of a singlet diradical ground electronic state and the appearance of low‐energy, thermally accessible triplet states. These results provide valuable insights into the device performance of TPD‐based materials and for the rational design of new high‐performance organic semiconductors.
Mesoporous ZnFe2O4 Photoanodes with Template‐Tailored Mesopores and Temperature‐Dependent Photocurrents
Authors: Kirchberg Kristin , Wang Songcan , Wang Lianzhou , Marschall Roland
Published: June 2018

Mesoporous ZnFe2O4 photoanodes have been prepared via dip‐coating utilizing the evaporation‐induced self‐assembly of two different block‐copolymer templates to investigate the influence of pore geometry on the photoelectrochemcial performance of those earth‐abundant photoelectrodes. The use of commercial block copolymers, triblock copolymer Pluronic® F127 and the diblock copolymer PIB3000 as templates, leads to different pore morphologies under identical preparation conditions due to different polymer stabilities. Interestingly, pore morphology in mesoporous ZnFe2O4 turned out to be less important for the photoelectrochemical performance. Contrary, sufficiently developed crystalline domains gained through optimized temperature treatment resulted in maximum photoelectrochemical performance among the investigated samples. This disproves the necessity of expensive, tailor‐made polymer soft templates to synthesize high‐performing mesoporous ZnFe2O4 photoanodes.
Does persistence explain ESG disclosure decisions?
Authors: McBrayer Garrett A.
Published: June 2018

Advocates of an increased focus on environmental, social and governance (ESG) initiatives have argued that increased ESG disclosure is a necessary first step. Given the limited regulatory requirements on ESG disclosure, managerial preference serves as a primary determinant of ESG transparency. Using data on ESG disclosure from Bloomberg, I examine the extent to which disclosure persistence on the behalf of firm management, as proxied by managerial tenure, affects firms' ESG disclosure strategies. Overall, I find that ESG disclosure quality and ESG disclosure variability are reduced as management tenure increases. Further, I find that the replacement of a firm's CEO interrupts disclosure persistence; e.g., median ESG disclosure scores increase by roughly 9.7% in the two years following the replacement of a firm's CEO. The results of this study highlight one inhibitor, i.e. persistence, to inducing more complete, transparent ESG disclosure.
Quasi‐solid‐State Electrolytes for Low‐Grade Thermal Energy Harvesting using a Cobalt Redox Couple
Authors: Taheri Abuzar , MacFarlane Douglas R. , Pozo‐Gonzalo Cristina , Pringle Jennifer M.
Published: June 2018

Thermoelectrochemical cells, also known as thermocells, are electrochemical devices for the conversion of thermal energy directly into electricity. They are a promising method for harvesting low‐grade waste heat from a variety of different natural and manmade sources. The development of solid‐ or quasi‐solid‐state electrolytes for thermocells could address the possible leakage problems of liquid electrolytes and make this technology more applicable for wearable devices. Here, we report the gelation of an organic‐solvent‐based electrolyte system containing a redox couple for application in thermocell technologies. The effect of gelation of the liquid electrolyte, comprising a cobalt bipyridyl redox couple dissolved in 3‐methoxypropionitrile (MPN), on the performance of thermocells was investigated. Polyvinylidene difluoride (PVDF) and poly(vinylidene fluoride‐co‐hexafluoropropene) (PVDF‐HFP) were used for gelation of the electrolyte, and the influence of the different polymers on the mechanical properties was studied. The Seebeck coefficient and diffusivity of the cobalt redox couple were measured in both liquid and gelled electrolytes, and the effect of gelation on the thermocell performance is reported. Finally, the cell performance was further improved by optimizing the concentration of the redox couple and the separation between the hot and cold electrodes, and the stability of the device over 25 h of operation is demonstrated.
Analysis of highly radiative scenarios for the EU‐DEMO divertor target protection
Authors: Subba F. , Coster D.P. , Escat Juanes A.N. , Fable E. , Wenninger R. , Zanino R.
Published: June 2018

We employ the SOLPS5.1 code to analyse different impurity choices and injection methods as possible drivers for highly radiative scenarios in the European DEMO (EU‐DEMO). We aim at assessing the existence of a suitable parameter region to safely operate the divertor in H‐mode discharges. It turns out that such an operational region exists, and that puffing is strongly preferred to pellet as the impurity injection method. It also appears that many different impurity mixtures can meet the divertor survival requirements, with a low level of W sputtering. This provides an additional degree of freedom, which will be exploited in the future to optimize the overall reactor performance.
The Coulomb logarithm evaluation effects on the inverse Bremsstrahlung absorption (IBA) in laser fusion plasmas
Authors: Oloumi Mohsen , Habibi Mehdi , Hosseinkhani Hassan
Published: June 2018

Inverse Bremsstrahlung absorption (IBA) in high‐temperature laser fusion deuterium–tritium (DT) plasmas is investigated. A comparison between two common models, namely the Spitzer model and the Brown–Preston–Singleton (BPS) model, is made to evaluate the Coulomb logarithm. In this case, the sensitivity of the Coulomb logarithm values and the coronal temperatures on IBA is also studied by utilizing these models, considering quantum effects. Using an efficient numerical method combining the Crank–Nicolson and the Newton–Raphson schemes for solving heat transfer equation, energy absorption from the laser and diffusion in a DT target are simulated. It is shown that the Spitzer model gives larger values for the Coulomb logarithm compared to the BPS model. In addition, the overestimation of the Coulomb logarithm in the Spitzer model considerably decreases the absorption length. Furthermore, with increasing electron temperature, the absorption length shows major discrepancies in the two mentioned models.
Seizures in Namibia: A study of traditional health practitioners
Authors: du Toit Anina , Pretorius Chrisma
Published: June 2018

Objective

Countries in sub‐Saharan Africa are plagued by poor healthcare facilities, lack of specialist care, and limited financial resources. People with seizures often rely on the help of traditional health practitioners (THPs). Traditional health practices are not acknowledged in Namibia and remain unregulated and open to exploitation. We conducted a qualitative study to gain an understanding ofTHPs’ perceptions and experiences in delivering seizure care in Namibia.

Methods

This study formed part of a larger mixed‐method study that explored seizure care among healthcare providers (HCPs) in Namibia. Semi‐structured interviews were conducted with 11THPs in Namibia. Thematic analysis was used to identify themes and subthemes in the data. Themes were interpreted using the different levels of Bronfenbrenner's Ecological Systems Theory to illustrate the perceptions and experiences ofTHPs in the management of seizures.

Results

THPs distinguish between seizures with physical causes and those caused by witchcraft, evil spirits, and supernatural forces.THPs acknowledge the role of Western medicine in the treatment of medically explained seizures (physical causes). Seizures as a result of medically unexplained symptoms (spiritual) are deemed best treated by traditional medicine (TM). Diagnostic and treatment practices are person‐specific and are guided by divination and the use of plant and animal material. Treatment success is measured by the complete absence of seizures. Biomedical treatment is seen as lacking due to its focus on seizure control and failure to provide a permanent cure.

Significance

In countries with limited healthcare resources, the untapped potential ofTHPs may play a valuable role in bridging the treatment gap for seizures. IncorporatingTHPs into the healthcare system depends on proper regulation and clear demarcation of roles between service providers. Improved referral practices and collaboration between service providers will be of benefit for people with seizures who are often exposed to stigma and discrimination.
Contribution of instant amaranth (Amaranthus hypochondriacusL.)‐based vegetable soup to nourishment of boarding school adolescents
Authors: Ssepuuya Geoffrey , Katongole James , Tumuhimbise Gaston Ampek
Published: June 2018

Uganda has one of the youngest populations in the world with about 78% of its population below 30 years of age, most of which are adolescents. The boarding school diet fed to adolescents is rich in carbohydrates and proteins but lacks adequate amounts of micronutrients to meet the adolescentRDArequirements. This study aimed at contributing to the improvement of the nutritional status of boarding school adolescents in Uganda by developing an acceptable convenient instant vegetable soup rich in protein (12.30 ± 0.25–13.26 ± 0.25%), total carotenoids (154.19 ± 12.62–292.68 ± 3.56 RAE/μg), and iron (2.33 ± 0.06–4.37 ± 0.03 mg). The three soup formulations showed desirable reconstitution and instant characteristics owing to the observed functional properties. The soup had a high dispensability (69%–71%), water absorption capacity of 1.53–1.98 g/g, bulk density of 0.79–0.80 g/ml, and swelling capacity of 5.05–5.38 g/g. The overall sensory acceptability was within a range of 6.2–6.7 and not significantly different from the control commercial soup. The soups contributed over 25% of the adolescentRDArequirements for carbohydrate, protein, dietary fiber, vitamin A, and iron but not for zinc (5.7%) and calcium (9.7%). These results indicate the potential of the soup to improve the nutritional status of adolescents. However, there is a need for additional research to increase the formulated soups’ acceptability, its contribution to zinc and calciumRDAadolescent requirements, as well as to determine its bioavailability and shelf stability.
Price discovery in short‐term interest rate markets: Futures versus swaps
Authors: Frino Alex , Garcia Michael
Published: June 2018

This study examines price discovery at the short end of the yield curve by examining the lead–lag relationship in the prices of Australian interest rate swap and bank accepted bill futures contracts. Consistent with previous research, we find strong bidirectional flows of information between swap and futures markets during daytime trading. However, the swap market leads price discovery during overnight trading while futures markets lead swap markets on macroeconomic announcement days—both new findings. We demonstrate and conclude that price discovery in derivatives at the short end of the yield curve is driven by transaction costs.
Interview
Authors: Haszeldine Stuart
Published: June 2018

Perhaps the most significant issue for some countries where curbing carbon emissions is concerned is not the capture or the transport, but the storage. The reality is the ideal geology is needed for the safe storage of carbon dioxide and for some countries this is not necessarily a straight forward issue. However a novel approach has been developed through a UK/China research team which could open up whole new reservoirs of storage in those geographical regions where, currently, storage options are limited.

In this article Professor Stuart Haszeldine (PSH), from the University of Edinburgh's School of GeoSciences, explains the most recent developments in CO2 storage to GHGS&T.
Association between poor oral health and gastric cancer: A prospective cohort study
Authors: Ndegwa Nelson , Ploner Alexander , Liu Zhiwei , Roosaar Ann , Axéll Tony , Ye Weimin
Published: June 2018

Poor oral health may be involved in the pathogenesis of gastric cancer, however, some aspects have not been explored. Further, for previously studied aspects, for example, tooth‐loss, the findings are inconsistent. We conducted a prospective cohort study of 19,831 participants from Uppsala, Sweden, cancer‐free at baseline in 1973–1974 and followed until 2012 through linkage to national registers. We found that individuals with fewest teeth at baseline had an increased risk of gastric cancer relative to subjects with all examined teeth present (p = 1.75e‐2). Presence of denture‐associated lesions was also associated with an increased risk of gastric cancer (p = 1.00e‐4). However, these excess risks significantly varied with attained age; estimated hazard ratio (HR) at attained age 50 for tooth loss was 4.24 [95% confidence interval (CI) 1.83–9.80] and 5.91 (95% CI 2.76–12.63) for denture‐associated lesions, decreasing at an estimated 4% and 6% per year respectively, resulting in HR of 1.54 (95% CI 0.90–2.64) for tooth loss and HR 1.29 (95% CI 0.90–1.85) for denture‐associated lesions at attained age 75. No increased risk of gastric cancer was found for individuals with higher levels of dental plaque, or with Candida‐related or tongue lesions. In conclusion, tooth‐loss and denture‐associated lesions are associated with increased risks of gastric cancer. Previous conflicting findings of tooth‐loss and gastric cancer risk may partly be explained by the age‐varying relative risk of gastric cancer.
Leukocyte telomere length associates with nasopharyngeal carcinoma risk and survival in Hong Kong Chinese
Authors: Ko Josephine Mun‐Yee , Tsang Kay Hiu‐Ki , Dai Wei , Choi Sheyne Sta Ana , Leong Merrin Man‐Long , Ngan Roger Kai‐Cheong , Kwong Dora Lai‐Wan , Cheng Ashley , Lee Anne Wing‐Mui , Ng Wai Tong , Tung Stewart , Lee Victor Ho‐Fun , Lam Ka‐On , Chan Candy King‐Chi , Lung Maria Li
Published: June 2018

Telomere shortening occurs as an early event in tumorigenesis. The TERT‐CLPTM1L locus associates with nasopharyngeal carcinoma (NPC) risk. It remains unknown if leukocyte telomere length (LTL) associates with NPC risk and survival. The relative LTL (rLTL) was measured by quantitative‐PCR in 2,996 individuals comprised of 1,284 NPC cases and 1712 matched controls. The odds ratio (OR) and 95% confidence intervals (CI) were calculated by logistic regression. The hazard ratio (HR) and 95% CI were calculated by Cox regression for survival analysis with rLTL and other clinical parameters in 1,243 NPC with a minimum follow‐up period of 25 months. NPC patients had significantly shorter telomere length than controls. Shorter rLTL significantly associated with increased NPC risk, when the individuals were dichotomized into long and short telomeres based on median‐split rLTL in the control group (OR = 2.317; 95% CI = 1.989–2.700, p = 4.10 × 10−27). We observed a significant dose–response association (ptrend = 3.26 × 10−34) between rLTL and NPC risk with OR being 3.555 (95% CI = 2.853–4.429) for the individuals in the first quartile (shortest) compared with normal individuals in the fourth quartile (longest). A multivariate Cox regression analysis adjusted by age demonstrated an independent effect of rLTL on NPC survival for late‐stage NPC patients, when the individuals were categorized into suboptimal rLTL versus the medium rLTL based on a threshold set from normal (HR = 1.471, 95% CI = 1.056–2.048, p = 0.022). Shorter blood telomeres may be markers for higher susceptibility for NPC risk. Suboptimal rLTL may be a poor prognostic factor for advanced NPC patients, as it associates independently with poor survival.
Dysfunctional beliefs towards motherhood and postpartum depressive and anxiety symptoms: Uncovering the role of experiential avoidance
Authors: Fonseca Ana , Monteiro Fabiana , Canavarro Maria Cristina
Published: June 2018

Objective

This study aimed to examine the relationship between dysfunctional motherhood‐related beliefs and postpartum anxiety and depression symptoms, and whether experiential avoidance may be a potential mechanism in explaining these relationships.

Method

A sample of 262 postpartum women participated in a cross‐sectional online survey.

Results

The model presented a good fit (CFI = 0.96, RMSEA = 0.077) suggesting that more dysfunctional motherhood‐related beliefs related with maternal responsibility and with others’ judgments were associated with higher postpartum anxiety and depressive symptoms. Indirect effects through experiential avoidance were also found.

Conclusions

Dysfunctional motherhood‐related beliefs are cognitive vulnerabilities for postpartum psychological disorders and should be assessed to identify women that may be prone to early interventions. Moreover, dysfunctional beliefs seem to affect psychopathological symptoms by activating experiential avoidance strategies (e.g., rumination), which may accentuate the frequency of women's negative thoughts and emotions. Early interventions should target the promotion of acceptance of private negative experiences (psychological flexibility).
Information sharing and decision‐making in multidisciplinary crisis management teams
Authors: Uitdewilligen Sjir , Waller Mary J.
Published: June 2018

Multidisciplinary crisis management teams consist of highly experienced professionals who combine their discipline‐specific expertise in order to respond to critical situations characterized by high levels of uncertainty, complexity, and dynamism. Although the existing literatures on team information processing and decision‐making are mature, research specifically investigating multidisciplinary teams facing crisis situations is limited; however, given increasingly turbulent external environments that produce complex crisis situations, increasing numbers of organizations are likely to call upon multidisciplinary teams to address such events. In this paper, we investigate information processing and decision‐making behaviors in an exploratory study of 12 organizational multidisciplinary crisis management teams. We identify three types of information sharing and track the emergence of distinct communicative phases as well as differences between high‐ and low‐performing teams in the occurrence of sequences of information sharing behaviors. We close by discussing implications for research in this area and for managers of crisis management teams.
High precision and accuracy of model‐based RSA for analysis of wrist arthroplasty
Authors: Holm‐Glad Trygve , Reigstad Ole , Tsukanaka Masako , Røkkum Magne , Röhrl Stephan M.
Published: June 2018

Radiostereometric analysis (RSA) is a method for measuring micromotion in joint arthroplasties. RSA has never been used in total wrist arthroplasties. We evaluated: (i) the precision of model‐based RSA in total wrist arthroplasties measured in a phantom model and in patients; (ii) the number of bone markers necessary to ensure the precision; and (iii) the accuracy of model‐based RSA in a phantom model. Reverse engineered models of radial and carpal/metacarpal components of two wrist arthroplasties (ReMotion® and Motec®) were obtained by laser scanning. Precision and accuracy of each arthroplasty were analyzed with regards to translation and rotation along the three coordinate axes. Precision was analyzed in 10 phantom and 30 clinical double examinations for each arthroplasty, and was expressed by a repeatability coefficient. The precision of different numbers and configurations of bone markers in the phantom model were compared. Accuracy was tested in a phantom model where the implants were attached to a micrometer, and was defined as the mean difference between measured and true migration. In the phantom model the precision for translations ranged from 0.03 to 0.14 mm and for rotations from 0.18 to 1.52°. In patients the precision for translations ranged from 0.06 to 0.18 mm, and for rotations from 0.32 to 2.18°. Less than four bone markers resulted in inferior precision. Accuracy ranged from −0.06 to 0.04 mm, and from −0.38 to −0.01°. Y‐rotations could not be obtained from the Motec® due to rotational symmetry about the longitudinal axis. We conclude that model‐based RSA in total wrist arthroplasties is precise, accurate, and feasible to use for clinical evaluation of micromotion in wrist arthroplasties. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:3053–3063, 2018.
Cover Image, Volume 98, Issue 9
Authors: Barkat Noorani , Singh Jashbir , Jayaprakasha Guddadarangavvanahally K , Patil Bhimanagouda S
Published: June 2018

The cover image, by Noorani Barkat et al., is based on the Research Article Effect of harvest time on the levels of phytochemicals, free radical‐scavenging activity, α‐amylase inhibition and bile acid‐binding capacity of spinach (Spinacia oleracea), DOI: 10.1002/jsfa.8862.

image
Gas‐phase rate coefficients for a series of alkyl cyclohexanes with OH radicals and Cl atoms
Authors: Bejan Iustinian G. , Winiberg Frank A. F. , Mortimer Nicholas , Medeiros Diogo J. , Brumby Charlotte A. , Orr Stephanie C. , Kelly Jamie , Seakins Paul W.
Published: June 2018

The rate coefficients of the reactions of OH radicals and Cl atoms with three alkylcyclohexanes compounds, methylcyclohexane (MCH),trans‐1,4‐dimethylcyclohexane (DCH), and ethylcyclohexane (ECH) have been investigated at (293 ± 1) K and 1000 mbar of air using relative rate methods. A majority of the experiments were performed in the Highly Instrumented Reactor for Atmospheric Chemistry (HIRAC), a stainless steel chamber using in situ FTIR analysis and online gas chromatography with flame ionization detection (GC‐FID) detection to monitor the decay of the alkylcyclohexanes and the reference compounds. The studies were undertaken to provide kinetic data for calibrations of radical detection techniques in HIRAC. The following rate coefficients (in cm3molecule−1s−1) were obtained for Cl reactions:k(Cl+MCH) = (3.51 ± 0.37) × 10–10,k(Cl+DCH) = (3.63 ± 0.38) × 10−10,k(Cl+ECH) = (3.88 ± 0.41) × 10−10, and for the reactions with OH radicals:k(OH+MCH) = (9.5 ± 1.3) × 10–12,k(OH+DCH) = (12.1 ± 2.2) × 10−12,k(OH+ECH) = (11.8 ± 2.0) × 10−12. Errors are a combination of statistical errors in the relative rate ratio (2σ) and the error in the reference rate coefficient. Checks for possible systematic errors were made by the use of two reference compounds, two different measurement techniques, and also three different sources of OH were employed in this study: photolysis of CH3ONO with black lamps, photolysis of H2O2at 254 nm, and nonphotolytictrans‐2‐butene ozonolysis. For DCH, some direct laser flash photolysis studies were also undertaken, producing results in good agreement with the relative rate measurements. Additionally, temperature‐dependent rate coefficient investigations were performed for the reaction of methylcyclohexane with the OH radical over the range 273‐343 K using the relative rate method; the resulting recommended Arrhenius expression isk(OH + MCH) = (1.85 ± 0.27) × 10–11exp((–1.62 ± 0.16) kJ mol−1/RT) cm3molecule−1s−1. The kinetic data are discussed in terms of OH and Cl reactivity trends, and comparisons are made with the existing literature values and with rate coefficients from structure‐activity relationship methods. This is the first study on the rate coefficient determination of the reaction of ECH with OH radicals and chlorine atoms, respectively.
Kinetics of the chromium(III)/l‐glutamic acid complexation reaction: Formation, decay, and UV‐vis spectrum of a long‐lived intermediate
Authors: Perez‐Benito Joaquin F. , Nicolas‐Rivases Joan
Published: June 2018

The kinetics of the aqueous reaction of Cr(III) with either l‐glutamic acid or sodium hydrogen l‐glutamate at pH 2.46‐5.87 have been followed by means of absorbance readings. The rate of formation of the reaction products showed acceleration‐deceleration periods, caused by the accumulation and posterior decay of an intermediate in nonnegligible concentration. A double‐exponential integrated rate law allowed obtaining two rate constants for each absorbance‐time experimental series, associated with the appearance (k1) and decay (k2) of the long‐lived intermediate. An increase of the initial concentrations of either hydrogen l‐glutamate (apparent kinetic orders < 1) or hydroxide (kinetic orders = 1) ions resulted in an increase of both k1 and k2, but addition of an inert electrolyte (KNO3) resulted in opposite effects on k1 (decrease) and k2 (increase). The experimental activation energies were 83 ± 10 (for k1) and 95 ± 5 (for k2) kJ mol−1. The electronic spectrum of the low reactivity detected intermediate resembled more closely to that of the blue/green reactant than that of the violet reaction product. The low number of protons set free by the complexating hydrogen l‐glutamate ligand seems to suggest that some polymerization of the coordinated amino acid (to form a di‐ or tripeptide) might take place. The available experimental data indicate that the coordination of the organic ligand must be preceded by the breakdown of a strong Cr(III)–H2O chemical bond in the slow steps of the mechanism.
A posteriori error estimates for the generalized Schwarz method of a new class of advection‐diffusion equation with mixed boundary condition
Authors: Boulaaras Salah , Touati Brahim Mohammed Said , Bouzenada Smail
Published: June 2018

In this paper, a posteriori error estimates for the generalized Schwarz method with mixed boundary condition on the interfaces for advection‐diffusion equation with second‐order boundary value problems are proved using theta time scheme combined with Galerkin spatial method. Furthermore, a asymptotic behavior in Sobolev norm is deduced using Benssoussan‐Lions' algorithm.
Large deviations for nematic liquid crystals driven by pure jump noise
Authors: Zhang Rangrang , Zhou Guoli
Published: June 2018

In this paper, we establish a large deviation principle for a stochastic evolution equation, which describes the system governing the nematic liquid crystals driven by pure jump noise. The proof is based on the weak convergence approach.
Reproducing kernel Hilbert space method for nonlinear boundary‐value problems
Authors: Karatas Akgül Esra
Published: June 2018

Reproducing kernel Hilbert space method is given for nonlinear boundary‐value problems in this paper. Applying this technique, we establish a new algorithm to approximate the solution of such nonlinear boundary‐value problems. This technique does not need any background mesh and can easily be applied. In this technique, the solution is given in the form of a series. Representation of the solutions is obtained in the reproducing kernel Hilbert space. Additionally, the convergence of the presented method is demonstrated. Numerical examples are presented to show the ability of the method. We compare the reproducing kernel Hilbert space method with B‐spline collocation method. As seen in the tables, the reproducing kernel Hilbert space method gives better results.
Holier than thou: Investigating the relationship between religiosity and charitable giving
Authors: Roberts James A. , David Meredith E.
Published: June 2018

One's religiosity (or lack thereof) is the touchstone from which people view and interact with the world. The presumed positive impact of religiosity on charitable giving, however, may be an oversimplification. The present study takes a more nuanced approach to the subject and investigates the impact of 2 potential mediators (attitudes toward helping others, AHO, and attitudes toward charitable organizations) and 1 moderator (materialism) on the religiosity–charitable giving relationship. Study results suggest that religiosity has a positive effect on attitudes toward charitable organizations, AHO, and donating to charity. Religiosity was also found to have an indirect impact on charitable giving via AHO. Materialism interacted with AHO, such that the indirect effect of religiosity on charitable giving through AHO is attenuated as materialism increases. Implications of the present research for better understanding charitable giving are discussed.
Does leadership lessen turnover? The moderated mediation effect of leader–member exchange and perspective taking on public servants
Authors: Siyal Saeed , Peng Xiaobao
Published: June 2018

Drawing on motivated information processing theory and social exchange theory, this research investigates the mediating effects of leader–member exchange and moderating impact of perspective taking in the relationship among transformational leadership and turnover intentions of public servants. Using a sample of 385 respondents from different public sectors across Pakistan, we found a negative association of transformational leadership with the turnover intentions, which is further mediated by leader–member exchange. Moreover, perspective taking moderated this mediating relationship. The present research has theoretical and practical implications. In addition, we have discussed some future directions.
Defibrotide for the treatment of hepatic veno‐occlusive disease/sinusoidal obstruction syndrome following nontransplant‐associated chemotherapy: Final results from a post hoc analysis of data from an expanded‐access program
Authors: Kernan Nancy A. , Richardson Paul G. , Smith Angela R. , Triplett Brandon M. , Antin Joseph H. , Lehmann Leslie , Messinger Yoav , Liang Wei , Hume Robin , Tappe William , Soiffer Robert J. , Grupp Stephan A.
Published: June 2018

Background

Hepatic veno‐occlusive disease/sinusoidal obstruction syndrome (VOD/SOS) is a potentially fatal complication of conditioning for hematopoietic stem cell transplantation (HSCT) but can occur after nontransplant‐associated chemotherapy. Following HSCT, VOD/SOS with multi‐organ dysfunction (MOD) may be associated with >80% mortality. Defibrotide is approved to treat severe hepatic VOD/SOS post‐HSCT in patients aged >1 month in the European Union and hepatic VOD/SOS with renal or pulmonary dysfunction post‐HSCT in the United States. Prior to US approval, defibrotide was available to treat VOD/SOS through an expanded‐access treatment (T‐IND) program. A post hoc analysis of nontransplant‐associated VOD/SOS patients treated with defibrotide initiated within 30 days of starting chemotherapy and followed for 70 days is presented.

Procedure

Patients were diagnosed by Baltimore or modified Seattle criteria or biopsy, and received defibrotide 25 mg/kg/day in four divided doses (≥21 days recommended).

Results

Of the 1,154 patients in the T‐IND, 137 had nontransplant‐associated VOD/SOS, 82 of whom developed VOD/SOS within 30 days of starting chemotherapy. Of them, 66 (80.5%) were aged ≤16 years. Across all the 82 patients, Kaplan–Meier estimated day +70 survival was 74.1%, 65.8% in patients with MOD (n = 38), and 81.3% in patients without MOD (n = 44). By age group, Kaplan–Meier estimated day +70 survival was 80.1% in pediatric patients (n = 66) and 50.0% in adults (n = 16). Treatment‐related adverse events occurred in 26.8%.

Conclusions

In this post hoc analysis of 82 patients initiating defibrotide within 30 days of starting chemotherapy, Kaplan–Meier estimated survival was 74.1% at 70 days after defibrotide initiation. Safety profile was consistent with prior defibrotide studies.
Influence of atmospheric pressure plasma jet and diffuse coplanar surface barrier discharge treatments on wood surface properties: A comparative study
Authors: Gerullis Sven , Kretzschmar Björn Sten‐Mark , Pfuch Andreas , Beier Oliver , Beyer Mario , Grünler Bernd
Published: June 2018

Beech and larch substrates were successfully treated by an atmospheric pressure plasma jet (APPJ) or a diffuse coplanar surface barrier discharge (DCSBD) system. Applying both technologies on wood, more hydrophilic properties were achieved, potentially by the degradation of hydrophobic extractives, the generation of polar functional groups and a modification of surface roughness. Comparing both plasma systems, the hydrophilization effect was stronger using the APPJ. The formation of polar groups on the surface was detected by X–Ray photoelectron spectroscopy. Investigated by scanning electron microscopy, APPJ further showed a more distinct impact on surface morphology compared to DCSBD. Following natural aging, plasma treatment effects such as hydrophilicity were partially reduced and the recovery was more pronounced for larch wood compared to beech.
Macroporosity Enhancement of Scaffold Oxide Layers Using Self‐Assembled Polymer Beads for Photovoltaic Applications
Authors: Yasaroglu Kubra , Aydemir Sinem , Chacko Sijo , Mastroianni Simone , Schmerber Guy , Colis Silviu , Rehspringer Jean‐Luc , Slaoui Abdelilah , Hinsch Andreas , Dinia Aziz
Published: June 2018

Molding of a dense film of spherical poly(acrylate/methyl methacrylate) (PAA‐PMMA) beads is used as unique templating agent to obtain TiO2 scaffold layers with controlled porosity. The porosity obtained is of hundreds of nanometers, much larger than the one typically reported for the porous layers of Grätzel‐ or perovskite‐ type cells. It is shown that the film thickness and roughness, and the pore size are strongly dependent on the roughness of the substrate for identical deposition conditions. In order enhance the conductivity of the TiO2 scaffold layer, a sol‐gel mixture of titanium and tin is also successfully tested. Such films are potentially interesting as electron transport layer in perovskite solar cells since they allow an enhanced specific surface and a better control of the interface with the infiltrated photoactive material which are essential for an efficient charge collection.
Low Temperature Synthesis as a Route for Highly Thermoelectric Efficient Na‐Doped PbTe
Authors: Papageorgiou Chryssi , Delimitis Andreas , Symeou Elli , Giapintzakis Ioannis , Kyratsi Theodora
Published: June 2018

In this work, Na‐doped PbTe is synthesized through a low temperature synthesis technique. This method provides highly efficient p‐type PbTe using a synthesis temperature much lower than the PbTe melting point and as low as 430 °C followed by sintering at 600 °C. A maximum ZT of 1.36 at 720 K is achieved for the Pb0.98Na0.02Te sample arising from a high power factor and a very low lattice thermal conductivity. The low thermal conductivity is attributed to the in situ nanostructuring achieved by the low temperature synthesis method, followed by cold pressing and sintering.
A Metamaterial‐Plasmonic Scheme Based on a Random Metallic Network for Controlling Thermal Emission
Authors: Kong Jiantao , Sun Tianyi , Cao Feng , Li Yang , Bao Jiming , Gao Jinwei , Wang Xin , Zhou Guofu , Guo Chuanfei , Ren Zhifeng , Kempa Krzysztof
Published: June 2018

Herein, it is demonstrated by calculations, simulations, and experiments that a class of random three‐layer structures, each consisting of an insulator layer sandwiched between a continuous metallic film on one side and a randomly perforated metallic film on the other, strongly absorb electromagnetic radiation in a narrow band of frequencies (centered around 1 μm wavelength) and are highly reflecting for frequencies below this band. This response is shown to be similar to that of the periodic analogues of these structures, and so is the main physics: metamaterial plasmonics. It had been shown that the absorbance spectrum with these characteristics is beneficial for high efficiency thermal photovoltaic devices, and thus a random three‐layer structure from this class is proposed, based on high temperature resistant materials (W and HfO2), to be used as such a window filter of these devices.
Method development for binding media analysis in painting cross‐sections by desorption electrospray ionization mass spectrometry
Authors: Watts Kristen E. , Lagalante Anthony F.
Published: June 2018

Rationale

Art conservation science is in need of a relatively nondestructive way of rapidly identifying the binding media within a painting cross‐section and isolating binding media to specific layers within the cross‐section. Knowledge of the stratigraphy of cross‐sections can be helpful for removing possible unoriginal paint layers on the artistic work.

Methods

Desorption electrospray ionization mass spectrometry (DESI‐MS) was used in ambient mode to study cross‐sections from mock‐up layered paint samples and samples from a 17th century baroque painting. The DESI spray was raster scanned perpendicular to the cross‐sectional layers to maximize lateral resolution then analyzed with a triple quadrupole mass analyzer in linear ion trap mode. From these scans, isobaric mass maps were created to map the locations of masses indicative of particular binding media onto the cross‐sections.

Results

Line paint‐outs of pigments in different binding media showed specific and unique ions to distinguish between the modern acrylic media and the lipid‐containing binding media. This included: OP (EO)9 surfactant in positive ESI mode for acrylic (m/z 621), and oleic (m/z 281), stearic (m/z 283), and azelaic (m/z 187) acids in negative ESI mode for oil and egg tempera. DESI‐MS maps of mock‐up cross‐sections of layered pigmented binding media showed correlation between these ions and the layers with a spatial resolution of 100 μm.

Conclusions

DESI‐MS is effective in monitoring binding media within an intact painting cross‐section via mass spectrometric methods. This includes distinguishing between lipid‐containing and modern binding materials present in a known mock‐up cross‐section matrix as well as identifying lipid‐binding media in a 17th century baroque era painting.
Ion mobility mass spectrometry of saponin ions
Authors: Decroo Corentin , Colson Emmanuel , Lemaur Vincent , Caulier Guillaume , De Winter Julien , Cabrera‐Barjas Gustavo , Cornil Jérôme , Flammang Patrick , Gerbaux Pascal
Published: June 2018

Rationale

Saponins are natural compounds presenting a high structural diversity whose structural characterization remains extremely challenging. Ideally, saponin structures are best established using nuclear magnetic resonance experiments conducted on isolated molecules. However, saponins are also increasingly characterized using tandem mass spectrometry (MS/MS) coupled with liquid chromatography, even if collision‐induced dissociation (CID) experiments are often quite limited in accurately determining the saponin structure.

Methods

We consider here ion mobility mass spectrometry (IMMS) as an orthogonal tool for the structural characterization of saponin isomers by comparing the experimental collisional cross sections (CCSs) of saponin ions with theoretical CCSs for candidate ion structures. Indeed, state‐of‐the‐art theoretical calculations perfectly complement the experimental results, allowing the ion structures to be deciphered at the molecular level.

Results

We demonstrate that ion mobility can contribute to the structural characterization of saponins because different saponin ions present significantly distinct CCSs. Depending on the nature of the cation (in the positive ion mode), the differences in CCSs can also be exacerbated, optimizing the gas‐phase separation. When associated with molecular dynamics simulations, the CCS data can be used to describe the interactions between the cations, i.e. H+, Na+ and K+, and the saponin molecules at a molecular level.

Conclusions

Our work contributes to resolve the relationship between the primary and secondary structures of saponin ions. However, it is obvious that the structural diversity and complexity of the saponins cannot be definitively unraveled by measuring a single numerical value, here the CCS. Consequently, the structural characterization of unknown saponins will be difficult to achieve based on IMMS alone. Nevertheless, we demonstrated that monodesmosidic and bidesmosidic saponins can be distinguished via IMMS.
High‐resolution gas chromatography/mass spectrometry metabolomics of non‐human primate serum
Authors: Misra Biswapriya B. , Bassey Ekong , Bishop Andrew C. , Kusel David T. , Cox Laura A. , Olivier Michael
Published: June 2018

Rationale

Metabolomics analyses using gas chromatography/mass spectrometry (GC/MS)‐based metabolomics are heavily impeded by the lack of high‐resolution mass spectrometers and limited spectral libraries to complement the excellent chromatography that GC platforms offer, a challenge that is being addressed with the implementation of high‐resolution (HR) platforms such as 1D‐GC/Orbitrap‐MS.

Methods

We used serum samples from a non‐human primate (NHP), a baboon (Papio hamadryas), with suitable quality controls to quantify the chemical space using an advanced HRMS platform for confident metabolite identification and robust quantification to assess the suitability of the platform for routine clinical metabolomics research. In a complementary approach, we also analyzed the same serum samples using two‐dimensional gas chromatography/time‐of‐flight mass spectrometry (2D‐GC/TOF‐MS) for metabolite identification and quantification following established standard protocols.

Results

Overall, the 2D‐GC/TOF‐MS (~5000 peaks per sample) and 1D‐GC/Orbitrap‐MS (~500 peaks per sample) analyses enabled identification and quantification of a total of 555 annotated metabolites from the NHP serum with a spectral similarity score Rsim ≥ 900 and signal‐to‐noise (S/N) ratio of >25. A common set of 30 metabolites with HMDB and KEGG IDs was quantified in the serum samples by both platforms where 2D‐GC/TOF‐MS enabled quantification of a total 384 metabolites (118 HMDB IDs) and 1D‐GC/Orbitrap‐MS analysis quantification of a total 200 metabolites (47 HMDB IDs). Thus, roughly 30–70% of the peaks remain unidentified or un‐annotated across both platforms.

Conclusions

Our study provides insights into the benefits and limitations of the use of a higher mass resolution and mass accuracy instrument for untargeted GC/MS‐based metabolomics with multi‐dimensional chromatography in future studies addressing clinical conditions or exposome studies.
Models for the propensity score that contemplate the positivity assumption and their application to missing data and causality
Authors: Molina J. , Sued M. , Valdora M.
Published: June 2018

Generalized linear models are often assumed to fit propensity scores, which are used to compute inverse probability weighted (IPW) estimators. To derive the asymptotic properties of IPW estimators, the propensity score is supposed to be bounded away from zero. This condition is known in the literature as strict positivity (or positivity assumption), and, in practice, when it does not hold, IPW estimators are very unstable and have a large variability. Although strict positivity is often assumed, it is not upheld when some of the covariates are unbounded. In real data sets, a data‐generating process that violates the positivity assumption may lead to wrong inference because of the inaccuracy in the estimations. In this work, we attempt to conciliate between the strict positivity condition and the theory of generalized linear models by incorporating an extra parameter, which results in an explicit lower bound for the propensity score. An additional parameter is added to fulfil the overlap assumption in the causal framework.
Second‐order local sensitivity to non‐ignorability in Bayesian inferences
Authors: Eftekhari Mahabadi Samaneh
Published: June 2018

The sensitivity of Bayesian inferences to non‐ignorability is an important issue which should be carefully handled when analyzing incomplete data sets. Generally, sensitivity analysis quantifies the effect that non‐ignorability parameter variations have on model outputs or inferences. This sensitivity can be achieved locally around the ignorable model. Previously, some local sensitivity measures to assess the impact of non‐ignorable coarsening on Bayesian inferences have been established based on the first‐order derivation of the posterior expectations. This may not be adequate to show potential sensitivity when there is a considerable amount of curvature around the ignorable model estimate. Specifically, it becomes more important when the posterior expectation is U‐shaped near the ignorable estimate so that the first‐order sensitivity index is approximately zero even if the posterior mean might be highly curved around the ignorable model and hence sensitive to the ignorability assumption. In this paper, we present a method for determining the second‐order sensitivity to non‐ignorability of Bayesian inferences locally around the ignorable model in GLMs which perform equally well when the impact of non‐ignorability is locally linear. Calculation of the proposed second‐order sensitivity index only requires some posterior covariances of the simple ignorable model and is conducted efficiently and with minimal computational overhead compared with the first‐order sensitivity index. To show the need for the second‐order sensitivity index as a more precise screening tool, some simulation studies are conducted. Also, the approach is applied to analyze a real data example with CD4 cell counts as an incomplete response variable.
Enhancement of Solar Energy Absorption and Optoelectronic Properties of SrCuSbS3 by Lead Doping
Authors: Zhang Xian , He Jianqiao , Wang Ruiqi , Bu Kejun , Li Juncen , Zheng Chong , Lin Jianhua , Huang Fuqiang
Published: June 2018

Copper antimony sulfides (CAS) are of great interest for their applications in solar absorbers. Here, a new series of CAS materials is reported, namely the Sr1−xPbxCuSbS3 (x = 0–0.2), which are synthesized via solid state reactions. The new compound SrCuSbS3 crystallizes in the orthorhombic space group Pbam and consists of 3D [CuSbS3]2− extended framework and Sr2+ ions. The [CuSbS3]2− framework is constructed by [CuS3]5− one‐dimensional chains and [SbS3]3− triangular pyramids. The compound is a semiconductor with a band gap of 1.91 eV. Partial replacement of Sr2+ by Pb2+ can narrow the band gap to 1.63 eV when the doping concentration is up to 20%. First‐principles calculations reveal that the SrCuSbS3 compound is a direct band gap semiconductor with the valence band maximum composed of Cu‐3d states and the conduction band minimum composed of Sb‐5p‐S‐3p states. The Pb orbitals play critical roles in narrowing the band gap of Sr1‐xPbxCuSbS3 (x = 0–0.2). The series of CAS materials also show evident photoelectric response properties which demonstrate their potential for applications for photovoltaic devices. In addition, these CAS materials are good photocatalysts for the photodegradation reaction of Rhodamine B (RhB). The Sr0.8Pb0.2CuSbS3 powder can degrade 100% of RhB within 3 h under simulated sunlight.
8‐Hydroquinolatolithium as a Highly Effective Solution‐Processable Cathode Interfacial Material in Inverted Perovskite Solar Cells with an Efficiency Over 19%
Authors: Ye Senyun , Rao Haixia , Zhang Dongyang , Bian Mengying , Zhao Zifeng , Gu Feidan , Zhao Ziran , Chen Yinlin , Zhou Huiqiong , Liu Zhiwei , Bian Zuqiang , Huang Chunhui
Published: June 2018

The solution‐processed 8‐hydroquinolatolithium (Liq) has first been demonstrated as a highly effective cathode interfacial layer (CIL) in inverted perovskite solar cells (PSCs). Compared with the control device without a CIL, the Liq‐based device possesses a faster charge transport rate, a lower surface work function of Ag electrode, a larger built‐in potential, and a higher charge recombination resistance, probably due to the formed interface dipole between [6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM) and Ag induced by Liq, which eventually results in a great improvement of device performance. After optimization, the Liq‐based PSC has achieved a power conversion efficiency higher than 19%. These results will assuredly expand the present limited range of available solution‐processable cathode interfacial materials for low‐cost high‐performance PSCs.