bluuebunny/crossref_metadata_2025 huggingface dataset:
A Monte‐Carlo‐based and GPU‐accelerated 4D‐dose calculator for a pencil beam scanning proton therapy system
Authors: Pepin Mark D. , Tryggestad Erik , Wan Chan Tseung Hok Seum , Johnson Jedediah E. , Herman Michael G. , Beltran Chris
Published: September 2018

Purpose

The presence of respiratory motion during radiation treatment leads to degradation of the expected dose distribution, both for target coverage and healthy tissue sparing, particularly for techniques like pencil beam scanning proton therapy which have dynamic delivery systems. While tools exist to estimate this degraded four‐dimensional (4D) dose, they typically have one or more deficiencies such as not including the particular effects from a dynamic delivery, using analytical dose calculations, and/or using nonphysical dose‐accumulation methods. This work presents a clinically useful 4D‐dose calculator that addresses each of these shortcomings.

Methods

To quickly compute the 4D dose, the three main tasks of the calculator were run on graphics processing units (GPUs). These tasks were (a) simulating the delivery of the plan using measured delivery parameters to distribute the plan amongst 4DCT phases characterizing the patient breathing, (b) using an in‐house Monte Carlo simulation (MC) dose calculator to determine the dose delivered to each breathing phase, and (c) accumulating the doses from the various breathing phases onto a single phase for evaluation. The accumulation was performed by individually transferring the energy and mass of dose‐grid subvoxels, a technique that models the transfer of dose in a more physically realistic manner. The calculator was run on three test cases, with lung, esophagus, and liver targets, respectively, to assess the various uncertainties in the beam delivery simulation as well as to characterize the dose‐accumulation technique.

Results

Four‐dimensional doses were successfully computed for the three test cases with computation times ranging from 4–6 min on a server with eight NVIDIA Titan X graphics cards; the most time‐consuming component was the MC dose engine. The subvoxel‐based dose‐accumulation technique produced stable 4D‐dose distributions at subvoxel scales of 0.5–1.0 mm without impairing the total computation time. The uncertainties in the beam delivery simulation led to moderate variations of the dose–volume histograms for these cases; the variations were reduced by implementing repainting or phase‐gating motion mitigation techniques in the calculator.

Conclusions

A MC‐based and GPU‐accelerated 4D‐dose calculator was developed to estimate the effects of respiratory motion on pencil beam scanning proton therapy treatments. After future validation, the calculator could be used to assess treatment plans and its quick runtime would make it easily usable in a future 4D‐robust optimization system.
Evaluation of ovarian and metabolic effects of GnRH modulators in two rat models of polycystic ovary syndrome
Authors: Patel Roshni , Shah Gaurang
Published: September 2018

Gonadotropin‐releasing hormone (GnRH) modulators are widely used in numerous reproductive conditions including infertility. Several clinical studies showed mixed results regarding the efficacy of GnRH modulators in patients with polycystic ovary syndrome (PCOS). Along with this, few preclinical studies focus on the effect of GnRH modulators in PCOS‐induced animals. Therefore, the present study was designed to study the effect of leuprolide and cetrorelix on hormonal, metabolic, and menstrual dysfunction PCOS rats. Prepubertal female rats were divided into four groups: Group I received a normal pellet diet and Groups II, III, and IV received 40% high‐fat diet for 105 days. Similarly, adult female rats were divided into four groups: Group I received 1% carboxymethylcellulose (CMC) and Groups II, III, and IV received letrozole (1 mg/kg, per oral [p.o.] in 1% CMC) for 21 days. Thereafter, leuprolide (2.5 µg/rat, s.c.) and cetrorelix (10 µg/kg, subcutaneous [s.c.]) treatment were given to Group III and Group IV animals, respectively, for 21 days. Oral glucose tolerance test, lipid profile, fasting glucose, insulin, estrus cycle, hormonal profile, ovary weight, ovarian histopathological changes, and LHR and FSHR expressions were measured. Treatment with leuprolide and cetrorelix did not improve glucose intolerance, insulin level, insulin sensitivity indices, sex hormone levels, lipid profile, and estrus cycle. Only testosterone level, total cholesterol level, and follicular development were improved. Therefore, it was concluded that both leuprolide and cetrorelix showed improvement in follicular development, which could be helpful for improving fertility in PCOS.
An improved crack tracking algorithm with self‐correction ability of the crack path and its application in a continuum damage model
Authors: Yun Kumchol , Kim Tae‐Jong , Jang Paek San , Wang Zhenqing , Ronald Sakaya
Published: September 2018

In this paper, a new procedure for predicting the crack propagation and fracture behavior in quasi‐brittle materials is presented based on continuum damage mechanics. Several crack tracking algorithms are widely used for failure analysis, among which the local tracking algorithm is very simple and easy to implement with low computational cost. However, in the prediction of crack growth with the traditional local tracking algorithm, it can be often seen that the sharp changes in the crack path such as U‐turns can occur. An improved local tracking algorithm with self‐correction ability of the crack path is proposed to overcome these difficulties of the traditional crack tracking algorithms. A continuum damage model, in addition to the present crack tracking algorithm, can greatly enhance the performance of failure prediction in quasi‐brittle materials. The present approach has the advantages that it can well predict the crack propagation path and can avoid mesh size and mesh bias dependence without the embedment of discontinuities or nodal enrichment. The present model is incorporated into ANSYS by the ANSYS Parameter Design Language to simulate the initiation and propagation of the discrete crack in engineering applications. The numerical results by this model are compared with the ones by the extended finite element method and experiments, and good agreements are achieved.
Improving patient prioritization during hospital‐homecare transition: A pilot study of a clinical decision support tool
Authors: Topaz Maxim , Trifilio MaryGrace , Maloney Donna , Bar‐Bachar Ofrit , Bowles Kathryn H.
Published: September 2018

Patient admission to homecare is a complex process. Medicare policy requires that all patients receive a first home visit within 48 hr after the referral is received at the homecare agency. For unstable or high risk patients, waiting 48 hr to be seen by homecare nurses may not be safe. In this pilot study we tested an innovative clinical decision support tool (called PREVENT), designed to identify patients who may need to be prioritized for early homecare visits. The study was conducted in 2016 at a large homecare agency in the Northeastern US with 176 patients admitted to homecare from the hospital. In the control phase (n = 90 patients), we calculated the PREVENT priority score (indicative of high or medium/low first nursing visit priority) but did not share the score with the homecare intake nurses who influence visit scheduling. In the experimental phase, the PREVENT score was shared with the homecare intake nurses (n = 86 patients). During the experimental phase, high‐risk patients received their first homecare nursing visit about one‐half a day sooner than in the control phase (1.8 days vs. 2.2 days). Rehospitalizations from homecare decreased by 9.4% between the control (21.1%) and experimental phases (11.7%). This pilot study of patient prioritization showed promising results: high priority patients received their first homecare visit sooner and overall rehospitalization rates were lower.
Fabrication of anisotropic janus composite particles based on natural renewable urushiol
Authors: Zheng Xuelin , Cheng Wei , Chen Shuning , Chen Jiawen , Chen Qinhui
Published: September 2018

Urushiol praseodymium‐polystyrene (UPr‐PS) Janus composite particles were synthesized by emulsion swelling assisted protruding from UPr/PS core‐shell composite microspheres. The effects of sulfonated time and the outer electronic configuration of metal on the shell of urushiol metal/PS composite microspheres, together with the effects of monomer type, monomer dosage and swelling time on the swelling behaviour, were studied. The morphology, chemical composition and thermal performance of UPr/PS core‐shell composite microspheres and UPr‐PS Janus composite particles were studied by means of scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X‐ray analyzer (EDX), Thermogravimetric analysis (TG) and infrared spectrometer (IR). Results showed that the morphology could be controlled by the metal kind, the sulfonated time, the monomer type, the monomer dosage and the swelling time. Attributing to the novel anisotropic structure, the UPr‐PS Janus composite particles will be expected to be applied in oriented catalyst. POLYM. ENG. SCI., 59:411–417, 2019. © 2018 Society of Plastics Engineers
Comparison Between Chitosan Nanoparticles and Cellulose Nanofibers as Reinforcement Fillers in Papaya Puree Films: Effects on Mechanical, Water Vapor Barrier, and Thermal Properties
Authors: de Barros‐Alexandrino Taís Téo , Tosi Milena Martelli , Assis Odílio Benedito Garrido
Published: September 2018

Chitosan nanoparticles (Np) were prepared by ionic gelation method, with particle size of 58.54 ± 16.99 nm. Cellulose nanofibers (Nf) were extracted from soybean straws by a combined process of mechanical grinding and enzymatic hydrolysis, with diameters between 40 and 120 nm and variable length. The puree was prepared by using over‐ripe papayas and fillers (Np and Nf) incorporated separately at a concentration of 0.1% and 0.2% (% of filler to puree mass in dry bases) and subsequently cast into films. Mechanical characterization, both tensile strength and strain at break, were found to have significantly improved for those films reinforced with Nf. Values of tensile of 2.79 ± 1.20 MPa for chitosan and 7.30 ± 1.27 MPa for cellulose were measured for 0.2% additions. The presence of cellulose fibers (elongation of 9.33% ± 0.72%) had a greater effect on film plasticity than for chitosan Np (6.86% ± 2.17%) at 0.2% addition. About 0.2% of Nf also performed better than Np in reducing the water vapor permeation rate. Calorimetric analysis (TGA and DSC) indicated thermal stability of the composite films at temperatures above 100°C, with similar behavior between samples. POLYM. ENG. SCI., 59:E287–E292, 2019. © 2018 Society of Plastics Engineers
Titania/gum tragacanth nanohydrogel for methylene blue dye removal from textile wastewater using response surface methodology
Authors: Rahimdokht Mehdi , Pajootan Elmira , Ranjbar‐Mohammadi Marziyeh
Published: September 2018

The aim of this study was to statistically evaluate the capability of a prepared TiO2/gum tragacanth hydrogel as a photocatalyst for the removal of methylene blue dye molecules from contaminated solutions. In this regard, TiO2 nanoparticles were sonicated in gum tragacanth and the final hydrogel was prepared by the addition of glutaraldehyde as a crosslinking agent. Response surface methodology was employed as a mathematical and statistical tool to describe the system by a polynomial equation that relates the removal efficiency to selected variables (time, pH, initial dye concentration and photocatalyst dosage). The significance and adequacy of the model were confirmed by high coefficient of determination (R2) and adjusted R2 values (>93%). The system was optimized at an initial dye concentration of 9.37 mg L−1, pH of 9.02, time of 124.34 min and photocatalyst dosage of 0.13 g L−1 using the response optimizer with an efficiency of 88.86%. A kinetic study of photocatalytic decoloration indicated that the pseudo‐second‐order model was well fitted to the experimental data. © 2018 Society of Chemical Industry
Sexual dysfunction and reproductive concerns in young women with breast cancer: Type, prevalence, and predictors of problems
Authors: Ljungman Lisa , Ahlgren Johan , Petersson Lena‐Marie , Flynn Kathryn E. , Weinfurt Kevin , Gorman Jessica R. , Wettergren Lena , Lampic Claudia
Published: September 2018

Objective

A dearth of studies focusing on young women (<40 years) with breast cancer have hampered the understanding of the type, prevalence, and predictors of sexual dysfunction and reproductive concerns in this population.

Methods

Data were collected from 181 women (response rate = 60%) diagnosed with breast cancer approximately 2 years previously (age 21‐39) using the Swedish National Quality Registry for Breast Cancer and a survey including standardized measures of sexual dysfunction, reproductive concerns, body image, and health‐related quality of life. Multivariable logistic binary regression analyses were used to identify predictors of sexual dysfunction and reproductive concerns.

Results

Sexual dysfunction in at least one domain was reported by 68% of the women, and a high level of reproductive concerns in at least one dimension was reported by 58%. Model results showed that current endocrine treatment was a significant predictor of dysfunction related to lubrication (OR 3.8, 95% CI 1.2‐12.1) and vaginal discomfort (OR 8.7, 95% CI 1.5‐51.5). Negative body image was related to satisfaction with sex life (OR 1.1, 95% CI 1.0‐1.2). A high level of reproductive concerns was predicted by a wish for (additional) children in the future (OR 3.4, 95% CI 1.1‐10.2) and by previous chemotherapy (OR 2.5, 95% CI 1.1‐5.9).

Conclusions

Sexual dysfunction and reproductive concerns are common in young women with breast cancer. Current endocrine treatment, previous chemotherapy, a negative body image, and a wish for children in the future predict higher level of problems.
Nocturnal enuresis and sleep disordered breathing in primary school children: Potential implications
Authors: Wada Hiroo , Kimura Manami , Tajima Tomokazu , Shirahama Ryutaro , Suzuki Yohei , Suzuki Yuka , Hayashi Toshinari , Maruyama Koutatsu , Endo Motoki , Sakamoto Naoko , Ikeda Ai , Gozal David , Tanigawa Takeshi
Published: September 2018

Introduction

The association between nocturnal enuresis (NE) and sleep disordered breathing (SDB) has been repeatedly reported, but has primarily been focused on clinical cohorts. The purpose of this study, was to assess whether SDB‐related symptoms such as snoring and unrefreshing sleep in the morning are associated with NE in a large‐scale community school‐based survey.

Methods

A cross‐sectional assessment using a standard questionnaire was conducted on nearly 20 000 primary school children (5‐12 years old) in Matsuyama, Japan. Associations between NE and the frequencies of snoring and unrefreshing sleep were evaluated using multivariate logistic and regression analyses.

Results

Multivariate adjusted odds ratios (95% confidence intervals) for enuresis were 1.21 (1.04 to 1.40) and 1.36 (1.07 to 1.73) in boys who snored 1 or 2 nights per week and ≥3 nights per week, respectively (P for trend <0.0001). Those for enuresis were 1.67 (1.41 to 1.99) and 1.96 (1.63 to 2.36) in boys who showed unrefreshing sleep 1 or 2 nights per week and ≥3 nights per week, respectively (P for trend <0.0001). Significant associations between NE and snoring frequency emerged among children who did not report unrefreshing sleep (P‐trend for boys and girls were <0.0001 and <0.01, respectively), while significant associations between NE and frequency of unrefreshing sleep were detected among children who snored ≥1 nights per week (P for trend >0.1).

Conclusions

The pathogenic mechanisms linking snoring and unrefreshing sleep to increased risk of NE are unknown. However, snoring, a surrogate reporter of SDB, is associated with increased urine production, while unrefreshing sleep may result from disrupted sleep facilitating increased sleep pressure and elevated arousal thresholds. Thus, both SDB and unrefreshing sleep are potential independent risk factors of NE in school age children.
Economic injury levels and sequential sampling plans for control decision‐making systems of Bemisia tabaci biotype B adults in watermelon crops
Authors: de O Lima Carlos H , Sarmento Renato A , Pereira Poliana S , Ribeiro Arthur V , Souza Danival J , Picanço Marcelo C
Published: September 2018

BACKGROUND

Decision‐making systems are essential parts of integrated pest management programs. The whitefly Bemisia tabaci (Hemiptera: Aleyrodidae) is a major pest of many crops, including watermelon (Citrullus lanatus), the second most consumed fruit worldwide. However, there are still no studies on decision‐making systems for B. tabaci on this crop. Thus, we aim to determine a decision‐making system to control B. tabaci biotype B on watermelon crops.

RESULTS

The highest densities of B. tabaci biotype B reduced the yield of watermelon crops by up to 56%. Watermelon plants were more susceptible to the pest at the vegetative stage than at the reproductive stage. The economic injury levels of B. tabaci biotype B when watermelon prices were low, average, and high were respectively, 0.52, 0.21 and 0.13 adults leaf−1 at the vegetative stage, and 1.69, 0.69 and 0.44 adults leaf−1 at the reproductive stage. The sequential plans reached the same decisions as the conventional plan, and reduced the time and cost of sampling by up to 92.68%.

CONCLUSION

The decision‐making systems determined in this study enable an expedited and proper decision to be made for controlling B. tabaci, biotype B and can be used in different price situations for watermelon and in crops at different phenological stages. © 2018 Society of Chemical Industry
Water transport on infinite graphs
Authors: Häggström Olle , Hirscher Timo
Published: September 2018

If the nodes of a graph are considered to be identical barrels – featuring different water levels – and the edges to be (locked) water‐filled pipes in between the barrels, consider the optimization problem of how much the water level in a fixed barrel can be raised with no pumps available, that is, by opening and closing the locks in an elaborate succession. This model is related to an opinion formation process, the so‐called Deffuant model. We consider the initial water profile to be given by i.i.d. unif(0,1) random variables, investigate the supremum of achievable water levels at a given node – or to be more precise, the support of its distribution – and ask in which settings it becomes degenerate, that is, reduces to a single value. This turns out to be the case for all infinite connected quasi‐transitive graphs, with exactly one exception: the two‐sided infinite path.
Probe electrospray ionization of mixture solutions using metal needles with different tip conditions
Authors: Ninomiya Satoshi , Iwamoto Shunpei , Chen Lee Chuin , Hiraoka Kenzo
Published: September 2018

Time‐dependent mass spectra of mixture solutions of cytochrome c and cholesterol were measured by probe electrospray ionization (PESI) mass spectrometry and the PESI characteristics for several metal needles were investigated with different tip conditions. For a mixture solution of cytochrome c and cholesterol in 0.1% formic acid methanol/water (1/1) at a motion frequency of 1 Hz, an acupuncture needle with a sharp tip and 0.5‐mm‐diameter titanium and stainless‐steel wire needles gave strong cytochrome c and extremely weak cholesterol ion signals. When the frequency was lowered, and the high‐voltage duration increased, the titanium and stainless‐steel needles provided both cytochrome c and cholesterol ion signals with high intensities well separated over time.
Half blind superiority tests for clinical trials of anti‐infective drugs
Authors: Follmann Dean , Brittain Erica , Lumbard Keith
Published: September 2018

This paper introduces a test of superiority of new anti‐infective drug B over comparator drug A based on a randomized clinical trial. This test can be used to demonstrate assay (trial) sensitivity for noninferiority trials and rigorously tailor drug choice for individual patients. Our approach uses specialized baseline covariatesXA,XB, which should predict the benefits of drug A and drug B, respectively. Using a response surface model for the treatment effect, we test for superiority at the (XA,XB) point that is most likely to show superiority. We identify this point based on estimates from a novel half‐blind pseudo likelihood, where we augment a blinded likelihood (mixed over the treatment indicator) with likelihoods for the overall success rates for drug A and drug B (mixed overXA,XB). The augmentation results in much better estimates than those based on the mixed blinded likelihood alone but, interestingly, the estimates almost behave as if they were based on fully blinded data. We also develop an analogous univariate method usingXAfor settings whereXBhas little variation. Permutation methods are used for testing. If the “half‐blind” test rejects, pointwise confidence interval can be used to identify patients who would benefit from drug B. We compare the new tests to other methods with an example and via simulations.
Palladium‐Catalyzed O‐Arylation Reaction Using Different Heterogeneous Catalyst Systems: The Role of Support
Authors: Firuzabadi Fahimeh Dehghani , Asadi Zahra
Published: September 2018

Palladium complex of 2‐(diphenylphosphino)benzaldehyde (P,N‐ligand) was immobilized on three different amino functionalized supports such as MCM‐41, SBA‐16, and Fe3O4 nanoparticles (NPs) to evaluate their catalytic activity toward O‐arylation reaction. Catalytic results showed that P,N−Pd‐MCM‐41 catalyst exhibited much higher activity than the other two catalysts due to the higher active surface sites and could be reused for several runs without significant loss in its catalytic activity. Notably, the reaction was done under solvent‐free condition which is important from the green chemistry point of view. The catalysts were characterized by different techniques including X‐ray diffraction (XRD), Fourier‐transform infrared spectroscopy (FT‐IR), thermogravimetric analysis (TGA), transmission electron micrograph (TEM), scanning electron microscopy (SEM), X‐ray photoelectron spectroscopy (XPS), energy dispersive X‐ray spectroscopy (EDS), elemental analysis (CHN), inductively coupled plasma (ICP) spectroscopy, and N2 adsorption–desorption analysis.
Biomimetic Clauson‐Kass and Paal‐Knorr Pyrrole Synthesis Using β‐Cyclodextrin‐SO3H under Aqueous and Neat Conditions ‐ Application to Formal Synthesis of Polygonatine†
Authors: Patil Rani N. , Kumar A. Vijay
Published: September 2018

The synthesis of pyrroles under mild conditions using sulfonic acid‐functionalized β‐Cyclodextrin (β‐CD) as a supramolecular catalyst under aqueous conditions is demonstrated. Good to excellent conversion of various amines into pyrroles was observed without any side product formation. CD was found to play a dual role as a phase transfer reagent through inclusion as well as an acid catalyst thereby facilitating the smooth conversions of reactants. The advantages of this protocol are mild reaction conditions, sustainable catalyst and use of non‐toxic solvent water. Notably, the catalyst can be easily recovered and reused up to five cycles without any loss of catalytic activity. The developed protocol was successfully used as a key step for the formal synthesis of the alkaloid natural product Polygonatine.
Membrane‐Targetable Probes for Hg2+ Detection in Live Cells and Paper‐Based Devices
Authors: Bai Lei , Wu Meirong , Chen Buxiang , Ding Yaqi , Zhou Jia , Ge Jingyan , Zhang Chengwu , Fu Zhenqian , Li Lin , Huang Wei
Published: September 2018

Two novel fluorogenic probes (HGMem‐2 and −3) for detecting Hg2+ were designed, synthesized and characterized. Probes based on a commercially available fluorophore (fluorescein) with high brightness were equipped with/without a photolabile group (2‐nitrobenzyl group), a membrane‐anchoring unit (cholesterol) and a Hg2+‐reactive moiety. Taking advantage of the hydrophobicity of the cholesterol group in the probe, a paper‐based device spotted with HGMem‐2 was developed as a Hg2+ paper indicators, and showed feasibility in complex cell lysate. Only upon UV photolysis, HGMem‐3 displayed more than 1900‐fold fluorescence enhancement with the addition of Hg2+. Furthermore, they exhibited pronounced Hg2+‐selective fluorogenic signalling behavior over other 45 analytes. Importantly, HGMem‐3 was utilized to specifically visualize Hg2+ near cell membrane in live HepG2 cells with high spatiotemporal resolution, avoiding the influence of reactive species outside cells successfully. Hence, our newly developed membrane‐anchored Hg2+ sensors provide useful tools for versatile applications in biological and environmental research.
Exploration of NbSe2 Flakes as Reversible Host Materials for Sodium‐Ion and Potassium‐Ion Batteries
Authors: Luo Yushan , Han Jin , Ma Qianru , Zhan Renming , Zhang Youquan , Xu Qiuju , Xu Maowen
Published: September 2018

Transition metal dichalcogenides have captured much attention in recent years. NbSe2, as one of transition metal dichalcogenides, has been explored as electrode materials for sodium‐ion and potassium‐ion batteries and delivered a high reversible electrochemical performance. Flakes NbSe2 electrode materials deliver a discharge capacity of 115 mA h g‐1 for sodium‐Ions batteries and 95 mA h g‐1 at 25 mA g‐1 for potassium‐Ions batteries in the first cycle respectively, with high coulomb efficiency. In addition, the phase transformation process of NbSe2 has been investigated by ex‐situ XRD during Na‐insertion/extraction processes.
Effect of Particle Size on the Performance of TiO2 Based Dye‐Sensitized Solar Cells
Authors: Maurya Ishwar Chandra , Senapati Sudipta , Singh Shalini , Srivastava Pankaj , Maiti Pralay , Bahadur Lal
Published: September 2018

The performance of TiO2 based dye‐sensitized solar cells (DSSCs) is largely influenced by the size of the TiO2 particles. In this work, different‐sized TiO2 nanoparticles have been synthesized by a facile sol–gel technique using polyethylene glycol (PEG) as capping agent and its performance as the photoanode of DSSC with N719 sensitizer dye is investigated. Particle nature and dimension of TiO2 nanoparticles were studied through XRD, FTIR, SEM and dynamic light scattering (DLS) analyses, whereas thermal stability was investigated through TGA in the temperature range of 30–600 °C 30–600 °C. The DSSC assembled with photoanode consisted of smallest size TiO2 nanoparticles obtained using 3 mM PEG (TNP‐II) exhibited solar‐to‐electrical energy conversion efficiency of 2.5%, under illumination of 100 mWcm−2, which was an extensive improvement compared to the device based on un‐capped, TiO2 nanoparticles based cell (TNP) (1.0%). The enhancement in efficiency resulting from the reduction of particles size of TiO2 is attributed to enlarged band‐gap, increased specific surface area & surface to volume ratio of the photoanode, greater dye loading and more interactions between anchoring groups of the dye and surface of TiO2. EIS measurements revealed that TNP‐II photoanode–based cells exhibited faster electron transport, increased electron lifetime, higher charge collection efficiency and less recombination leading to better photovoltaic output. The work shows that developed TNP‐II nanoparticles have good potential for application in photoenergy conversion devices.
Pharmaceutical‐Oriented Iron‐Catalyzed Ethoxylation of Aryl C(sp2)‐H Bonds with Cobalt Co–Catalyst
Authors: Zhang Guofu , Zhu Jianfei , Ding Chengrong
Published: September 2018

A novel and mild pharmaceutical‐oriented iron‐catalyzed ethoxylation of aryl C(sp2)‐H bonds with cobalt co‐catalyst was successfully developed. The reaction occurs efficiently with broad substrate scope tolerance and high regioselectivity. It's the first example of C−H alkoxylation using inexpensive and low biotoxicity iron as a catalyst.
Penta‐Nuclear Fe(III) Cluster: Synthesis, Structure, Magnetic Properties and Hirshfeld Surface Analysis
Authors: Chen Zhonghang , Fan Yipeng , Wang Jiming , Yang Li , Zhang Shuhua
Published: September 2018

A new penta‐nuclear Fe(III) cluster, [Fe5(μ3‐O)2L3(HL)(ATZ)4]⋅4H2O (1), (H2L is 2‐(((1H‐tetrazol‐5‐yl)imino)methyl)phenol, HATZ is 5‐Amino‐1H‐tetrazole) was synthesized through micro‐vial method. Complex 1 was characterized by elemental analysis, fourier transform infrared (FTIR), X‐ray single crystal diffraction, powder X‐ray diffraction (Powder XRD) and thermogravimetric analysis. Moreover, the magnetic properties and Hirshfeld surface analysis of 1 were investigated and discussed in detail.
DFT, QTAIM and NBO Investigation of the Interaction of Rare Gases with Pristine and Decorated Boron Nitride Nanotube
Authors: Nemati‐Kande Ebrahim , Abbasi Mahdi , Doust Mohammadi Mohsen
Published: September 2018

In this work, the interactions of pristine, Al‐ and Ga‐doped single walled armchair (5,5) boron nitride nanotubes (BNNTs) with He, Ne, Ar and Kr rare gases (RGs) were fully investigated using several different density functional theory (DFT) functionals including pure‐GGA (PBEPBE), hybrid‐GGA (B3LYP), meta‐hybrid‐GGA (M062X) and long‐range‐corrected B3LYP (CAM−B3LYP) in combination with two 6–31G(d) and 6–311+G(d) basis sets. Natural bond orbital (NBO) and quantum theory of atoms in molecule (QTAIM) analyses were also performed to better understand the intermolecular interaction between RGs and nanotubes. The adsorption energies (Eads) indicate that RGs could be adsorbed on the surface of the BNNTs with the following trend: Ne > Kr > Ar > He. The Eads energies obtained using CAM−B3LYP method have also been found to be 13–18%, (for Ne−Kr) and 32–44% (for He−Ar) higher than those obtained from normal B3LYP functional. Moreover, analysis of the natural partial charges reveals the small charge transfer from RGs to BNNTs, which confirms the sensing of RGs by BNNTs. QTAIM analysis also supports the existence of close‐shell (non‐covalent) interactions between BNNTs and RGs. Generally, according to the obtained results, it can be concluded that, Al‐ and Ga‐doped BNNTs are remarkably more sensitive to RGs than pristine‐BNNT, and may be good candidates in designing new RG sensors.
Unusual Pericyclic Reactivity of 4‐Nitrobenzofuroxans in 1,3‐Dipolar Cycloaddition with N‐Benzyl Azomethine Ylide – A New Example of Multiple C–C‐Bond Forming Transformations.
Authors: Starosotnikov Alexey M. , Bastrakov Maxim A. , Kachala Vadim V. , Fedyanin Ivan V. , Shevelev Svyatoslav A. , Dalinger Igor L.
Published: September 2018

A series of 4‐nitrobenzofuroxans were examined in [3+2]‐cycloaddition reactions with N‐benzyl azomethine ylide. The reaction outcome was found to be dependent on the nature of substituent 7‐R: for R=H and SR’ the products of double cycloaddition of the dipole were isolated, whereas for R=CH3, OR’ and NR'R” tetrahydroisoindoles annelated with furoxan ring were the sole products. As a result efficient chemoselective method for the synthesis of mono‐ and bis‐pyrrolidine fused benzofuroxan derivatives was developed.
Prognostic indicators for survival in African penguin chicks (Spheniscus demersus): A retrospective analysis
Authors: Fustukjian Ari H. , Flower Jennifer E. , Sirpenski Gayle , Tuttle Allison D.
Published: September 2018

Mystic Aquarium has successfully maintained an active breeding population of African penguins since 1990. Between 1990 and 2015, 477 eggs were laid, 84 of which were recommended for rearing according to the SSP Breeding and Transfer Plan. Sixty‐five percent hatched successfully, and total fertility ranged from 56% to 78%. Of the 55 hatchlings, 60% of chicks reached fledgling age (80 days). Of the 22 chicks that died before fledging, 59% died within 7 days of hatching, and 82% within 30 days of hatching. Categories of mortality were broken down into the following categories: failure to thrive (in the absence of a definitive cause of death) (41%), respiratory disease (32%), parent‐associated trauma (13%), congenital defects (9%), and gastrointestinal disease (5%). Analysis of associated factors identified a significant correlation between the hatch weights of chicks that survived beyond day 7 (60.5–66.0 g), and those that did not (49.5–59.5 g). Further positive correlations were established between chick hatch weight and both dam body weight, and egg weight. While hand‐reared chicks gained weight more slowly than their parent‐reared counterparts, results showed that rearing method had no significant impact on survival. The findings of this study provide a baseline for assessing reproductive success and chick mortality, and supply prognostic indicators for evaluating chick success in managed African penguin populations.
Persons and Human Capital
Authors: Dalziel Paul , Saunders Caroline , Saunders Joe
Published: September 2018

The wellbeing economics framework begins with individual persons seeking to create the kinds of lives they value, and have reason to value. These persons are able to make time-use choices they reason will promote wellbeing, influenced by cultural values, personal abilities and social capabilities. The attention to choices about time-use is because persons have equal time to allocate each day, and because time-use choices influence monetary values recorded in market transactions. Persons can expand capabilities through formal education and through relevant experience, which are time-use choices that economists describe as investment in human capital. Progress in wellbeing can be monitored using measures of subjective and objective wellbeing, exemplified in the Organisation for Economic Co-operation and Development’s Better Life Initiative.
Households, Families and Cultural Capital
Authors: Dalziel Paul , Saunders Caroline , Saunders Joe
Published: September 2018

This chapter focuses on wellbeing within households and families, paying careful attention to child development. This is important from the perspective of the child, of the child’s parents, of wider society and globally. Investment in cultural capital enhances wellbeing by creating opportunities for persons to express, develop, transform and pass on to the next generation their cultural inheritance. Men and women can have equal capabilities for wellbeing; yet studies show that significant sacrifices of time and financial costs for parents are carried disproportionately by women, who are also more vulnerable to intimate violence. After accounting for housing costs, nearly one in three children in the United Kingdom are growing up in households with income below 60 per cent of the country’s median equivalised income. Thus, the chapter reveals serious problems that can be overlooked when policy advice focuses on economic growth rather than on wellbeing.
Civil Society and Social Capital
Authors: Dalziel Paul , Saunders Caroline , Saunders Joe
Published: September 2018

This chapter explores how humans collaborate with others outside their families and households to expand capabilities for wellbeing, particularly by creating and participating in civil society institutions. The chapter also analyses social capital and how it can be increased through mechanisms that include: learning in schools; participation in networks; enforcement of norms; development of societal aspirations; and efforts for social inclusion. There are tensions between cultural capital (discussed in the previous chapter) and social capital (this chapter) since access to the services of social capital—especially to bridging social capital—is much easier for people who share the cultural capital of the community’s dominant social group. Policy can enhance capabilities for wellbeing by ensuring persons are not disadvantaged as a result of ethnicity or other personal characteristic in their equitable access to services from all forms of capital.
The Nation State and Knowledge Capital
Authors: Dalziel Paul , Saunders Caroline , Saunders Joe
Published: September 2018

This chapter analyses how a Nation State can contribute to enhanced wellbeing. It begins with its responsibility to act on behalf of citizens as wise custodian of the market economy and welfare state within its borders. This requires central government to adopt an integrated and balanced approach to all its economic and welfare policies. The second half of the chapter focuses on the concept of knowledge capital as a driver of wellbeing. Knowledge creation can be an economic public good, which creates a distinctive opportunity for a well-functioning state to contribute to expanded capabilities for wellbeing through policies that foster the growth and use of knowledge. Knowledge is essential to the operations of the Nation State, whose civil service can offer a specialist capability for creating, collating, synthesising, utilising and disseminating knowledge capital for the common good.
Supernova 1987A constraints on sub-GeV dark sectors, millicharged particles, the QCD axion, and an axion-like particle
Authors: Chang Jae Hyeok , Essig Rouven , McDermott Samuel D.
Published: September 2018

Abstract

We consider the constraints from Supernova 1987A on particles with small couplings to the Standard Model. We discuss a model with a fermion coupled to a dark photon, with various mass relations in the dark sector; millicharged particles; dark-sector fermions with inelastic transitions; the hadronic QCD axion; and an axion-like particle that couples to Standard Model fermions with couplings proportional to their mass. In the fermion cases, we develop a new diagnostic for assessing when such a particle is trapped at large mixing angles. Our bounds for a fermion coupled to a dark photon constrain small couplings and masses ≲ 200 MeV, and do not decouple for low fermion masses. They exclude parameter space that is otherwise unconstrained by existing accelerator-based and direct-detection searches. In addition, our bounds are complementary to proposed laboratory searches for sub-GeV dark matter, and do not constrain several benchmark-model targets in parameter space for which the dark matter obtains the correct relic abundance from interactions with the Standard Model. For a millicharged particle, we exclude charges between 10−9–few×10−6 in units of the electron charge, also for masses ≲ 200 MeV; this excludes parameter space to higher millicharges and masses than previous bounds. For the QCD axion and an axion-like particle, we apply several updated nuclear physics calculations and include the energy dependence of the optical depth to accurately account for energy loss at large couplings. These corrections allow us to rule out a hadronic axion of mass between 0.1 and a few hundred eV, or equivalently to put a bound on the scale of Peccei-Quinn symmetry breaking between a few×104 and 108 GeV, closing the hadronic axion window. For an axion-like particle, our bounds disfavor decay constants between a few×105 GeV up to a few×108 GeV, for a mass ≲ 200 MeV. In all cases, our bounds differ from previous work by more than an order of magnitude across the entire parameter space. We also provide estimated systematic errors due to the uncertainties of the progenitor.
Urinary IgM excretion: a reliable marker for adverse pregnancy outcomes in women with chronic kidney disease
Authors: Leaños-Miranda Alfredo , Campos-Galicia Inova , Ramírez-Valenzuela Karla Leticia , Berumen-Lechuga María Guadalupe , Isordia-Salas Irma , Molina-Pérez Carlos José
Published: September 2018

Objective

Chronic kidney disease (CKD) pregnancies are at high risk of developing adverse outcomes. In non-pregnant subjects with CKD, higher urinary IgM levels are associated with poor renal survival and higher rates of cardiovascular deaths. In this study, we assessed whether urinary IgM levels are associated with an increased risk of adverse pregnancy outcomes (APO) in CKD pregnancies.

Methods

We performed a nested case–control study within a cohort of CKD patients with singleton pregnancies attended at a tertiary care hospital. The study included 90 CKD patients who eventually developed one or more APO and 77 CKD patients who did not. Urinary IgM excretion was determined from the 24-h urine samples at enrollment by an ultrasensitive enzyme immunoassay.

Results

The risk for combined APO and for preeclampsia (PE) was higher among women with urinary IgM and proteinuria levels values in the highest quartile or with CKD stages 4–5 (odds ratios, OR ≥ 2.9), compared with the lowest quartile or with CKD stage 1. Urinary IgM levels were more closely associated with the risk of either combined or specific APO (PE, preterm birth, and for having a small-for-gestational-age infant; OR ≥ 5.9) than either the degree of total proteinuria or CKD stages. Among patients with CKD stage 1, the risk of combined APO, PE, and preterm birth was higher in women with urinary IgM levels values in the highest quartile (OR ≥ 4.8), compared with the three lower quartiles, independently of proteinuria.

Conclusion

In CKD pregnancies, at the time of initial evaluation, proteinuria and CKD stage are associated with increased risk of combined APO. However, urinary IgM concentrations appear to be better predictors of an adverse outcome and may be useful for risk stratification in CKD pregnancies.
Supervisor-Subordinate (Dis)agreement on Ethical Leadership: An Investigation of its Antecedents and Relationship to Organizational Deviance
Authors: Kuenzi Maribeth , Brown Michael E. , Mayer David M. , Priesemuth Manuela
Published: September 2018

We examine supervisor-subordinate (dis)agreement regarding perceptions of the supervisor’s ethical leadership and its relationship to organizational deviance. We find that, on average, supervisors rate themselves more favorably on ethical leadership compared to how followers rate them. In addition, polynomial regression results reveal that unit-level organizational deviance is higher when there is agreement about lower levels of ethical leadership, and disagreement when supervisors rate themselves higher on ethical leadership than subordinates’ ratings of the supervisors. Finally, drawing on social influence theories, we look at antecedents of (dis)agreement and find that supervisors’ beliefs about themselves (that they were “better-than-average” ethical leaders) and others (their assumptions about whether the morality of their subordinates is malleable or not) are associated with self-other (dis)agreement on ethical leadership.
No Longer Lost in Translation: Evidence that Google Translate Works for Comparative Bag-of-Words Text Applications
Authors: de Vries Erik , Schoonvelde Martijn , Schumacher Gijs
Published: September 2018

Automated text analysis allows researchers to analyze large quantities of text. Yet, comparative researchers are presented with a big challenge: across countries people speak different languages. To address this issue, some analysts have suggested using Google Translate to convert all texts into English before starting the analysis (Lucas et al. 2015). But in doing so, do we get lost in translation? This paper evaluates the usefulness of machine translation for bag-of-words models—such as topic models. We use the europarl dataset and compare term-document matrices (TDMs) as well as topic model results from gold standard translated text and machine-translated text. We evaluate results at both the document and the corpus level. We first find TDMs for both text corpora to be highly similar, with minor differences across languages. What is more, we find considerable overlap in the set of features generated from human-translated and machine-translated texts. With regard to LDA topic models, we find topical prevalence and topical content to be highly similar with again only small differences across languages. We conclude that Google Translate is a useful tool for comparative researchers when using bag-of-words text models.
Consideration of Freshwater and Multiple Marine Reservoir Effects: Dating of Individuals with Mixed Diets from Northern Sweden
Authors: Dury Jack P R , Eriksson Gunilla , Fjellström Markus , Wallerström Thomas , Lidén Kerstin
Published: September 2018

Human burials from the cemetery at the Rounala church, northern Sweden, were radiocarbon (14C) dated to shed light on the use of the cemetery. Carbon, nitrogen and sulfur stable isotope analysis of bone collagen from 19 distinct individuals indicated that these individuals had a mixed diet consisting of freshwater, marine and terrestrial resources. Dietary modeling using FRUITS was employed to calculate the contributions of the different resources for each individual. These data were then used to calculate individual ΔR values, taking into account freshwater and multiple marine reservoir effects, the latter caused by Baltic and Atlantic marine dietary inputs, respectively. 14C dating of tissues from modern freshwater fish species demonstrate a lack of a freshwater reservoir effect in the area. Two OxCal models were used to provide endpoint age estimates. The calibrated data suggest that the site’s cemetery was most likely in use already from the 14th century, and perhaps until at least the late 18th century.
From corps to discipline, part one: Charles d'Almeida, Pierre Bertin and French experimental physics, 1840–1880
Authors: MITCHELL DANIEL JON
Published: September 2018

Academic careers in French science during the mid-nineteenth century were made within the Université de France, an integrated state system of secondary and higher education controlled by a centralized Parisian educational administration. Among the most respected members of thecorps universitairewere Charles d'Almeida and Pierre Bertin, two historically obscurephysicienswhose significance derives from their substantial contributions to the social organization, teaching and communication of French experimental physics. This two-part comparative biography uses their entwined careers to make a case for the emergence of a discipline of French experimental physics from the corps during the tumultuous politico-cultural transition from the Second Empire to the Third Republic. Of fundamental importance are disciplinary regimes of teaching and inspection within the corps, the foundation of the Société française de physique and theJournal de physique, and the diversification of the traditional pedagogical role of the Ecole normale supérieure, which, from around 1860, began to offer a career pathway for aspiring scientific researchers. Having established in this paper the socio-institutional mechanisms for the stabilization of a distinct field, in part two I characterize the epistemological–methodological aspects of French experimental physics.