bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemically functionalized SiO2 to improve mechanical properties of oil‐impregnated monomer casting nylon
Authors: Wang Qin , Zhang Qian , Wang Fan , Zhao Yanwen , Wang Yuexin
Published: November 2018

ABSTRACT: Toluene‐2,4‐diisocyanate and dodecanol were used to chemically functionalize nanosilica (TDID‐SiO2). Composites of TDID‐SiO2 and oil‐impregnated monomer casting nylon (OMC nylon) were prepared by an in situ anionic ring‐opening polymerization. The dispersion of the TDID‐SiO2 in oil was studied along with the mechanical and friction properties of the composites. The results show that the dispersion of the TDID‐SiO2 in oil was significantly enhanced. Specifically, some TDID‐SiO2 was wrapped in oil droplets, and the size of the oil droplets increased from 2.3 to 3.3 μm for 0–0.125 wt % of the TDID‐SiO2 nanoparticles, which was confirmed by scanning electron microscopy. The composites exhibited excellent mechanical properties when 0.10 wt % TDID‐SiO2 was integrated into OMC nylon. The tensile strength, elastic modulus, notched impact strength, flexural strength, and flexural modulus increased by 6.9%, 7.1%, 33.2%, 15%, and 77.5%, respectively, compared to OMC nylon without TDID‐SiO2 nanoparticles. The friction coefficient was effectively controlled and the abrasion quantity was reduced. Thermogravimetric analysis showed that the thermal decomposition temperature was also improved. The improved mechanical and frictional properties of TDID‐SiO2/OMC nylon composite will enhance its application in wear‐resistant products in heavy industry. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46994.
Cleaner preparation of poly(vinylidene fluoride)/barium titanate composites: Thermal, mechanical, and dielectric properties and relaxation dynamics
Authors: Jiao Y. Q. , Deng L. M. , Yang S. Y. , Zhang P.
Published: November 2018

Traditional polymer composite preparation techniques often employ organic solvents, which can damage the environment, to disperse inorganic fillers. In this article, classic nanocomposites with poly(vinylidene fluoride) (PVDF) polymer matrices and BaTiO3 nanoparticle (BTP) fillers were created by a clean method combining planetary ball milling with an ultracentrifugal mill and then hot pressed into thin films. The microstructures, properties and relaxation dynamics of the thin films were characterized and analyzed. Scanning electron microscopy results demonstrated that BTP was homogeneously dispersed in the PVDF matrix. The thermal, mechanical, and dielectric properties were comparable to those of composite films prepared by solution mixing. Dielectric analysis revealed that the dielectric constant of the thin films reached 14 (104 Hz) when the volume fraction of BTP was 30%; however, the dielectric loss was 0.1 (104 Hz). Additionally, the dielectric loss spectra fitted with the Havriliak−Negami (H−N) and Vogel Fulcher equations were employed to analyze the relaxation dynamics of the nanocomposites. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47254.
Synthesis and Evaluation of Water‐Soluble 2‐Aryl‐1‐Sulfonylpyrrolidine Derivatives as Bacterial Biofilm Formation Inhibitors
Authors: Smolobochkin Andrey V. , Muravyeva Ekaterina A. , Vagapova Liliya I. , Knyazeva Irina R. , Voronina Julia K. , Burilov Alexander R. , Pudovik Michail A. , Gildebrant Anastasiya V. , Sazykin Ivan S. , Sazykina Marina A. , Gazizov Almir S.
Published: November 2018

The approach to the novel 1‐[(2‐aminoethyl)sulfonyl]‐2‐arylpyrrolidines via unique intramolecular cyclization/aza‐Michael reactions of N‐(4,4‐diethoxybutyl)ethenesulfonamide have been developed, which benefits from high yields of target compounds, mild reaction conditions, usage of inexpensive and low‐toxic reagents, and allows for wide variability in both amine and aryl moieties. Biotesting with whole‐cell luminescent bacterial biosensors responding to DNA damage showed that all tested compounds are not genotoxic. Tested compounds differently affect the formation of biofilms by Vibrio aquamarinus DSM 26054. Some of the tested compounds were found to suppress the bacterial biofilms growth and thus are promising candidates for further studies.
Rapid and High‐Yield Electrosynthesis of Benzisoxazole and Some Derivatives
Authors: Hosseini Seyyedamirhossein , Bawel Seth A. , Mubarak Mohammad S. , Peters Dennis G.
Published: November 2018

Cyclic voltammetry and controlled‐potential (bulk) electrolysis have been used to explore the electrochemical reduction of o‐nitrobenzaldehyde (o‐NBA) and 8 other aldehydes and ketones at glassy carbon cathodes in dimethylformamide containing various tetraalkylammonium tetrafluoroborate salts along with a proton donor (4‐chlorophenol). Cyclic voltammograms for reduction of o‐NBA exhibit three cathodic peaks attributable in succession to (a) one‐electron generation of the nitro radical‐anion, (b) three‐electron formation of the hydroxylamine, and (c) two‐electron production of benzisoxazole (anthranil). These findings have been employed to develop efficient controlled‐potential (bulk) electrosyntheses of the following compounds: benzisoxazole, methylbenzo[c]isoxazole, [1,3]dioxolo[4′,5′,4,5]benzo[1,2‐c]isoxazole, naphtho[2,3‐c]isoxazole, 6‐chlorobenzo[c]isoxazole, 6‐methoxybenzo[c]isoxazole, 3‐methyl‐benzo[c]isoxazole, 3‐isopropylbenzo[c]isoxazole, and 3‐phenylbenzo[c]isoxazole. In addition, we have examined the use of a variety of proton donors to optimize the production of the desired product, and we have been able to recover the proton donor at the conclusion of the electrosynthesis. In each case, the synthesized product was separated by means of normal phase chromatography and identified with the aid of NMR spectros‐copy, gas chromatography (GC), and gas chromatography‐mass spectrometry (GC‐MS). Isolated yields of the desired products range from 63 to 92 %. Moreover, our electrosyntheses are catalyst‐free, environmentally green, and rapid (∼30 min).
Liquid‐Repellent Metal Oxide Photocatalysts
Authors: Chen Liwei , Hong Jinkee , Butt Hans‐Jürgen , Wooh Sanghyuk
Published: November 2018

Metal oxide photocatalysts (MOPCs) decompose organic molecules under illumination. However, the application of MOPCs in industry and research is currently limited by their intrinsic hydrophilicity because MOPCs can be wetted by most liquids. To achieve liquid repellency, the surface needs to possess a low surface energy, but most organic molecules with low surface energy are degraded by photocatalytic activity. Herein, current methods to achieve liquid repellency on MOPCs, while preventing degradation of hydrophobic coatings, are reviewed. Classically, composite materials containing MOPCs and hydrophobic organic compounds possess good liquid repellency. However, composites normally form irregular coatings and are hard to prepare on surfaces such as those that are mesoporous or nanostructured. In addition, the adhesion of composites to substrates is often weak, resulting in delamination. Recent studies have shown that the direct grafting reaction of polydimethylsiloxane (PDMS) from silicone oil (methyl‐terminated PDMS) under illumination results in a stable polymer brush. This easy and simple grafting method allows us to create stable liquid‐repellent surfaces on MOPCs of various types, structures, and sizes. In particular, super‐liquid‐repellent drops with an underlying air layer can be created on PDMS‐grafted nano‐/microstructured MOPCs. Potential applications of surfaces combining liquid repellency and photocatalytic activity are also discussed; thus offering new ways of using MOPCs in a wider range of applications.
Modularization in the Process Industry: Report from ACHEMA 2018
Authors: Fasel Henrik , Bruns Bastian , Riese Julia , Lier Stefan , Grünewald Marcus
Published: November 2018

Auf der ACHEMA 2018 wurden verschiedene Aussteller aus verschiedenen Bereichen der Verfahrenstechnik zu ihrem allgemeinen Verständnis des Begriffs Modularisierung befragt. Insbesondere wurden sie gefragt, ob und wie ihr Unternehmen die Modularisierung bereits in ihren verschiedenen Geschäftsbereichen integriert. Die Interviews zeigten, dass es unter den befragten Unternehmen ein besseres Verständnis von Modularisierung gibt als erwartet. Dennoch stellte sich heraus, dass dieses Verständnis je nach Geschäftsfeld des Unternehmens unterschiedlich ist. Einige Aussteller wenden die Modularisierung bereits in ihrem Produktportfolio an, z. B. beim Bau modularer Apparate oder Produktionsanlagen.
Process Technology at ACHEMA 2018
Authors: Kleiber Michael
Published: November 2018

Obwohl es nicht unbedingt der Schwerpunkt der ACHEMA 2018 war, gab es doch einige bemerkenswerte Neuerungen auf dem Gebiet der Prozesstechnik. Hervorzuheben sind hier die Themen Mikroverfahrenstechnik, Einbauten für Destillationskolonnen und neue Entwicklungen auf dem Gebiet der Wärmeübertrager. Insbesondere wurden durch neue Einsatzmöglichkeiten korrosionsbeständiger Werkstoffe und neue Möglichkeiten ihrer Bearbeitung eine Anzahl eleganter Lösungen für bekannte Problemstellungen gefunden.
Single Molecule RNA FISH (smFISH) in Whole‐Mount Mouse Embryonic Organs
Authors: Wang Shaohe
Published: November 2018

Single molecule RNA fluorescence in situ hybridization (smFISH) has become the standard tool for high spatial resolution analysis of gene expression in the context of tissue organization. This article describes protocols to perform smFISH on whole‐mount mouse embryonic organs, where tissue organization can be compared to RNA expression by co‐immunostaining of known protein markers. An enzymatic labeling strategy is also introduced to produce low‐cost smFISH probes. Important considerations and practical guidelines for imaging smFISH samples using fluorescence confocal microscopy are described. Finally, a suite of custom‐written ImageJ macros is included with detailed instructions to enable semi‐automated smFISH image analysis of both 2D and 3D images. © 2018 by John Wiley & Sons, Inc.
Paternity analysis, pollen flow, and spatial genetic structure of a natural population ofEuterpe precatoriain the Brazilian Amazon
Authors: Ramos Santiago Linorio Ferreyra , Dequigiovanni Gabriel , Sebbenn Alexandre Magno , Lopes Maria Teresa Gomes , Macêdo Jeferson Luis Vasconcelos de , Veasey Elizabeth Ann , Alves‐Pereira Alessandro , Silva Perla Pimentel da , Garcia José Nivaldo , Kageyama Paulo Yoshio
Published: November 2018

Euterpe precatoria, known as açaí do Amazonas, is a regionally important palm of the Amazon rainforest for the fruit production through extractive agriculture. Little information is available with regard to genetic diversity, gene flow, and spatial genetic structure (SGS) of açaí populations, which are essential for the use, management, and conservation of genetic resources of the species. This research aimed to assess the genetic diversity, inbreeding level, SGS, and gene flow in four ontogenetic stages of a naturalE. precatoriapopulation in the Brazilian Amazon, based on 18 microsatellite loci. The study was carried out in a natural population dispersed in an area of about 10 ha. Leaf tissues of 248 plants were mapped and sampled and classified into four ontogenetic stages: reproductive (59), immature (70), young (60), and seedling (59). Genetic diversity indices were high for all ontogenetic stages. The fixation index (F) for all ontogenetic stages was not significantly different from zero, indicating the absence of inbreeding. A significant SGS was found for all ontogenetic stages (68–110 m), indicating seed dispersal over short distances. Paternity analysis detected pollen immigration of 39.1%, a selfing rate of 4.2%, and a mean pollen dispersal distance within the population of 531 m. The results indicate substantial allele input in the population via pollen immigration, contributing to the maintenance of the genetic diversity of the population. However, within a population, the renewal with new progenies selected from seed plants spaced at least 110 m apart is important to avoid collecting seeds from related plants.
Translating genomic risk into an early detection strategy for sarcoma
Authors: Ballinger Mandy L. , Pinese Mark , Thomas David M.
Published: November 2018

Sarcomas have a strong genetic etiology, and the study of families affected by sarcomas has informed much of what we now understand of modern cancer biology. The recent emergence of powerful genetic technologies has led to astonishing reductions in costs and increased throughput. In the clinic, these technologies are revealing a previously unappreciated and rich landscape of genetic cancer risk. In addition to both known and new cancer risk mutations, genomic tools are cataloguing complex and polygenic risk patterns, collectively explaining between 15–25% of apparently sporadic sarcoma cases. The impact on clinical management is exemplified by Li‐Fraumeni Syndrome, the most penetrant sarcoma syndrome. Whole body magnetic resonance imaging can identify surgically resectable cancers in up to one in ten individuals with Li‐Fraumeni Syndrome. Taken together, parallel developments in genomics, therapeutics and imaging technologies will drive closer engagement between genetics and multidisciplinary care of the sarcoma patient in the 21st century.
Phytol as an anticarcinogenic and antitumoral agent: An in vivo study in swiss mice with DMBA‐Induced breast cancer
Authors: de Alencar Marcus Vinícius Oliveira Barros , Islam Muhammad Torequl , de Lima Rosália Maria Torres , Paz Márcia Fernanda Correia Jardim , dos Reis Antonielly Campinho , da Mata Ana Maria Oliveira Ferreira , Filho José Williams Gomes de Oliveira , Cerqueira Gilberto Santos , Ferreira Paulo Michel Pinheiro , e Sousa João Marcelo de Castro , Mubarak Mohammad S. , Melo‐Cavalcante Ana Amélia de Carvalho
Published: November 2018

Phytol (PHY) (3,7,11,15‐tetramethylhexadec‐2‐en‐1‐ol) exhibits various pharmacological properties including toxicity and cytotoxicity, and exerts antitumor activity. Owing to the urgent need of new pharmaceutical formulations for breast cancer therapy, this study aimed at the evaluation of antitumor activity of PHY in 7,12‐dimethylbenzanthracene‐cancer‐induced animal model. Comet assay was employed to evaluate the cytogenetics, DNA repair, and antigenotoxic activities of PHY in neoplastic (breast) and non‐neoplastic rodent cells (bone marrow, lymphocytes, and liver). Additionally, hematological, biochemical, histopathological, and immunohistochemical analyses were carried out in experimental animals. Thirty nonpregnant female mice (n = 5) underwent 7 weeks treatment with 6 mg/kg pro‐carcinogen, PHY (4 mg/kg), and cyclophosphamide (25 mg/kg). Induction of cancer was confirmed by histopathology and immunohistochemistry for Ki‐67. Results suggest that PHY exhibits low toxicity in comparison with other groups in hematological, biochemical, histopathological, and organ size parameters. Additionally, PHY showed modulatory effects on the pro‐carcinogen, and induced genotoxicity and apoptosis in breast cancer cells. Furthermore, it showed a DNA damage repair capacity in mouse lymphocytes. These data indicate that PHY may have the potential as an anticancer candidate in pharmaceutical consumption. © 2018 IUBMB Life, 71(1):200–212, 2019
The Continued Need for Strategy Investigations: College Readers’ Use of PILLAR
Authors: Theriault Jennifer C. , Matich Lisa M. , Lampi Jodi P. , Armstrong Sonya L.
Published: November 2018

The authors report on a think‐aloud study of college students placed into developmental reading courses as they learned and implemented a new strategy device. The purpose was to investigate the device's potential utility for students, especially given the current practical trends in the field to move away from strategy instruction. Findings suggest that while reading textbook chapters in biology and history, the participants drew on existing text knowledge, awareness of disciplinary text differences, and awareness of metacognitive processes. The participants demonstrated that they were aware of their reliance on prior knowledge (of text structure and organization, of disciplinary differences, and of content knowledge) and also of gaps in their prior knowledge. This speaks to the need for empirical research on strategy devices, such as PILLAR, for new‐to‐college learners.
Interplay of topographical and biochemical cues in regulating osteoblast cellular activity in BMP‐2 eluting three‐dimensional cellular titanium alloy mesh structures
Authors: Nune Krishna Chaitanya , Misra R. Devesh Kumar , Bai Yun , Li Shujun , Yang Rui
Published: November 2018

The objective of this study is to elucidate the elution response of bone morphogenetic protein (BMP‐2) in tuning cellular functions on 3D‐printed titanium alloy mesh scaffolds subjected to microarc/plasma electrolytic oxidation process. The microtopographical cues enabled strong interaction with BMP‐2 protein, which led to controlled release. Furthermore, the interaction of BMP‐2 with the surface microtopographical cue regulated osteoblast cellular activity by contributing to the early phase differentiation and mineralization of osteoblasts. Thein vitroBMP‐2 release kinetics showed an initial burst of BMP‐2 after day 1, followed by a controlled release on plasma electrolytic oxidized mesh structure. The profile represented that the rate of release decreased with increase in time on both as‐fabricated and plasma electrolytic oxidized mesh structures after 24 h, with relatively higher degree on plasma electrolytic oxidized mesh structure. Furthermore, thein vitroosteoblast cellular activity indicated enhanced osteogenic induction on BMP‐2 adsorbed plasma electrolytic oxidized mesh structure. Cells penetrated into micropores through several filopodia‐like cellular extensions by increasing the area of contact, leading to stronger cell adhesion on BMP‐2 adsorbed plasma electrolytic oxidized mesh structure. The up‐regulation of biochemical markers and quantification of the expression level of cell secreted proteins underscored the determining role of BMP‐2 eluting 3D mesh structure in modulating osteoblasts functions. The study emphasizes the potential of BMP‐2 in rendering plasma electrolytic oxidized 3D‐printed titanium alloy mesh structure osteoinductive and controlled delivery of BMP‐2. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 107A: 49–60, 2019.
Treatment of real aquaculture wastewater from a fishery utilizing phytoremediation with microalgae
Authors: Liu Yang , Lv Junping , Feng Jia , Liu Qi , Nan Fangru , Xie Shulian
Published: November 2018

BACKGROUND

In this study, five microalgal species (Chlorella vulgaris, Chlorococcum sp. GD, Parachlorella kessleri TY, Scenedesmus quadricauda, and Scenedesmus obliquus) were cultivated in batch mode to evaluate their respective potential for the treatment of real aquaculture wastewater from a fishery. Subsequently, the microalga with the best performance was cultivated with different initial inoculation concentrations to evaluate the effect of initial inoculation on pollutant removal efficiency.

RESULTS

When real aquaculture wastewater was inoculated with exogenous microalgae, the growth of both indigenous microalgae and bacteria was significantly inhibited. Pollutant removal was closely related to exogenous inoculation of microalgae. Parachlorella kessleri TY had high growth potential and pollutant removal capability in aquaculture wastewater, compared with the other four microalgae. When the wastewater was inoculated with low biomass concentrations of P. kessleri TY (50–100 mg L−1), it grew well and degraded most of the encountered pollutant. In particular, P. kessleri TY with 100 mg L−1 of inoculation concentration removed 94.4% of COD, 96.2% of ammonium, 99% of nitrite, 94.3% of nitrate, and 95.6% of phosphorus after 3 days of cultivation.

CONCLUSIONS

Both the screening for microalgal species and the regulation of initial inoculation concentrations are promising approaches to enhance pollutant removal efficiency from real aquaculture wastewater. © 2018 Society of Chemical Industry
Ultrastructural and immunohistochemical study of phenotypic switch in gastrointestinal smooth muscle cells
Authors: Luesma María José , Cantarero Irene , Castiella Tomás , Sánchez‐Cano Ana Isabel , Iruzubieta Pablo , Junquera Concepción
Published: November 2018

Dedifferentiation is a loss of phenotypic specialization that converts differentiated cells into adult stem cells in order to proliferate and differentiate into replacement tissue. This occurs in several tissues from various organs, such as smooth muscle cells (SMCs) of the mammalian gastrointestinal tract. The aim of this study was to describe ultrastructural and immunohistochemical changes in SMCs which could be compatible with a dedifferentiation process in human and rabbit intestinal muscles. Ultrastructural study and immunohistochemical staining (SMemb and MyoD) on human and rabbit duodenum tissue sections were performed. In both species, this dedifferentiation process is characterized by a loss of intercellular junctions, increased intercellular spaces, cytoskeletal disorganization, perinuclear accumulation of large vacuoles that tend to fuse, rupture of the vacuole membrane and release of cytoplasmic fragments. Dedifferentiated cells show the characteristic phenotype of a mesenchymal cell with scarce perinuclear cytoplasm, long cytoplasmic prolongations and finely distributed granular chromatin in the nucleus. These morphological changes are accompanied by a modulation to a less mature phenotype showing immunoreactivity for the embryonic form of the myosin heavy chain and for the myogenic regulatory factor MyoD. We suggest that SMC dedifferentiation includes the elimination of the contractile apparatus, the activation of the nucleus and the re‐expression of embryonic markers. We described an ultrastructural dedifferentiation process possible in intestinal SMCs. This dedifferentiation process seems to play a key role in the homeostasis of the intestinal muscle.
One stage atrioventricular nodal ablation and leadless pacemaker implantation for refractory atrial fibrillation
Authors: Lau Chu‐Pak , Lee Kathy Lai‐Fun
Published: November 2018

Atrioventricular nodal (AVN) ablation and right ventricular (RV) pacing is recommended for refractory atrial fibrillation (AF) and tachycardia‐bradycardia syndrome. Three AF patients (mean age 83, range 79‐89 years) underwent AVN ablation and transvenous leadless pacemaker Micra™ implantations using the same venous access without anticoagulation interruption. Satisfactory pacing 0.59 (0.50‐0.63) V at 0.24 ms and sensing 11.2 (6.3‐15.6) mV were achieved within 1‐3 deployments. There were no vascular complications nor device dislodgment. Durable pacemaker parameters and VVIR pacing were achieved. Combined AVN ablation and leadless pacemaker implantation is feasible and safe, and avoids pacemaker pocket hematoma and bleeding complications in patients on uninterrupted anticoagulation.
Survival, causes of death, and cardiovascular events in patients with Marfan syndrome
Authors: Vanem Thy Thy , Geiran Odd Ragnar , Krohg‐Sørensen Kirsten , Røe Cecilie , Paus Benedicte , Rand‐Hendriksen Svend
Published: November 2018

Background

To explore survival, causes of death, and the prevalence of cardiovascular events in a Norwegian Marfan syndrome (MFS) cohort. MFS is a heritable connective tissue disorder associated with reduced life expectancy–primarily due to aortic pathology.

Methods

A follow‐up study of 84 MFS adults, initially investigated in 2003–2004. In 2014–2015, 16 were deceased, 47 of 68 survivors consented to new clinical investigations. Analyses of events were performed for 47 survivors and 16 deceased at follow‐up. Standardized mortality ratios (SMR), using the mortality rate of the Norwegian population as reference, were calculated for all 84 and calculated for men and women separately. Causes of death and information on cardiovascular events were retrieved from death certificates and medical records.

Results

Standardized mortality ratios (95% confidence interval): for the whole cohort: 5.24 (3.00–8.51); for men: 8.20 (3.54–16.16); for women: 3.85 (1.66–7.58). Cardiovascular causes were found in 11 of 16 deceased, eight of these related to aortic pathology. Cancer was the cause of death in three patients. At follow‐up, 51% had new cardiovascular events; 59% had undergone aortic surgery. Men experienced aortic events at younger age than women. 32% of the survivors were not followed‐up as recommended.

Conclusion

Life expectancy is reduced in this MFS cohort compared to the Norwegian population. Cardiovascular complications develop throughout life, particularly aortic pathology, the major cause of death in MFS. Death and aortic pathology seem to occur earlier in men. There is a need to improve follow‐up according to guidelines.
Automatic treatment planning based on three‐dimensional dose distribution predicted from deep learning technique
Authors: Fan Jiawei , Wang Jiazhou , Chen Zhi , Hu Chaosu , Zhang Zhen , Hu Weigang
Published: November 2018

Purpose

To develop an automated treatment planning strategy for external beam intensity‐modulated radiation therapy (IMRT), including a deep learning‐based three‐dimensional (3D) dose prediction and a dose distribution‐based plan generation algorithm.

Methods and Materials

A residual neural network‐based deep learning model is trained to predict a dose distribution based on patient‐specific geometry and prescription dose. A total of 270 head‐and‐neck cancer cases were enrolled in this study, including 195 cases in the training dataset, 25 cases in the validation dataset, and 50 cases in the testing dataset. All patients were treated with IMRT with a variety of different prescription patterns. The model input consists of CT images and contours delineating the organs at risk (OARs) and planning target volumes (PTVs). The algorithm output is trained to predict the dose distribution on the CT image slices. The obtained prediction model is used to predict dose distributions for new patients. Then, an optimization objective function based on these predicted dose distributions is created for automatic plan generation.

Results

Our results demonstrate that the deep learning method can predict clinically acceptable dose distributions. There is no statistically significant difference between prediction and real clinical plan for all clinically relevant dose–volume histogram (DVH) indices, except brainstem, right and left lens. However, the predicted plans were still clinically acceptable. The results of plan generation show no statistically significant differences between the automatic generated plan and the predicted plan except PTV70.4, but the difference is only 0.5% which is still clinically acceptable.

Conclusion

This study developed a new automated radiotherapy treatment planning system based on 3D dose prediction and 3D dose distribution‐based optimization. It is a promising approach for realizing automated treatment planning in the future.
Butterfly nanostructures via regioregularly grafted multi‐walled carbon nanotubes and poly(3‐hexylthiophene) to improve photovoltaic characteristics
Authors: Hamdast Ali , Agbolaghi Samira , Zeighami Mohammad , Beygi‐Khosrowshahi Younes , Sarvari Raana
Published: November 2018

Butterfly nanostructures were designed using multi‐walled carbon nanotubes (CNTs) grafted with regioregular poly(3‐hexylthiophene) (RR‐P3HT) chains (CNT‐graft‐P3HT). The secondary crystallization of RR‐P3HT free chains onto CNT‐graft‐P3HT reflected the donor–acceptor supramolecules with a butterfly configuration, in which the CNT acted as the body of the butterfly and seeded crystallization of P3HT free chains resulted in the wings having a width of 37–38 nm. Butterfly supramolecules demonstrated high melting point (241.2 °C), fusion enthalpy (31.5 J g−1) and crystallinity (85.13%). High photoluminescence quenching and thus donating–accepting property were also detected for the butterfly nanohybrids with a bandgap energy of 1.94 eV. Incorporation of butterfly nanostructures in the active layer of photovoltaic devices (P3HT:butterfly) conspicuously affected the system characteristics including short circuit current density (Jsc; 10.84 mA cm−2), fill factor (FF; 56%) and power conversion efficiency (PCE; 3.94%). The inclusion of phenyl‐C71‐butyric acid methyl ester molecules as second acceptor in thin‐film active layers further increased the efficacy of systems, i.e. Jsc of 12.23 mA cm−2, FF of 63%, open circuit voltage of 0.66 V and PCE of 5.08%, without considering external treatments and additives. © 2018 Society of Chemical Industry
Healthcare expenditures for privately insured US patients with cystic fibrosis, 2010‐2016
Authors: Grosse Scott D. , Do Thuy Quynh N. , Vu Michelle , Feng Lisa B. , Berry Jay G. , Sawicki Gregory S.
Published: November 2018

Objectives

Published cost estimates for cystic fibrosis (CF) are based on older data and do not reflect increased use of specialty drugs in recent years. We assessed recent trends in healthcare expenditures for CF patients in the United States (US) with employer‐sponsored health insurance.

Methods

The study is a retrospective analysis of claims data for privately insured individuals aged 0‐64 years who were continuously enrolled in non‐capitated plans for at least 1 calendar year during 2010‐2016. Mean annual expenditures during a calendar year were calculated for individuals who met a claims‐based CF case definition. Average annual growth rates were calculated through linear regression of the natural logarithm of annual expenditures.

Results

The annual CF prevalence was 1.1‐1.4 per 10 000 adults and 2.9‐3.0 per 10 000 children. Average spending adjusted for inflation nearly doubled from roughly $67 000 per patient in 2010 and 2011 to approximately $131 000 per patient in 2016. Inflation‐adjusted spending on outpatient and inpatient care increased by 0.5% and 2.5% per year, respectively, whereas pharmaceutical spending increased by 20.2% per year. Virtually all of the growth in pharmaceutical spending was accounted for by spending on specialty drugs; inflation‐adjusted spending on other medications increased by 1.3% per year. The annual growth rate in pharmaceutical spending rose by 33.1% during 2014‐2016, the years during which lumacaftor/ivacaftor was introduced.

Conclusions

Per‐patient expenditures for privately‐insured patients with CF almost doubled during 2010‐2016; specialty drugs were largely responsible for this increase, with a major contribution from new, genotype‐targeted CFTR modulator medications.
Validation of chemical genetics for the study of zipper‐interacting protein kinase signaling
Authors: Al‐Ghabkari Abdulhameed , Moffat Lori D. , Walsh Michael P. , MacDonald Justin A.
Published: November 2018

Zipper‐interacting protein kinase (ZIPK) is a Ser/Thr kinase that mediates a variety of cellular functions. Analogue‐sensitive kinase technology was applied to the study of ZIPK signaling in coronary artery smooth muscle cells. ZIPK was engineered in the ATP‐binding pocket by substitution of a bulky gatekeeper amino acid (Leu93) with glycine. Cell‐permeable derivatives of pyrazolo[3,4‐d]pyrimidine provided effective inhibition of L93G‐ZIPK (1NM‐PP1, IC50, 1.0 μM; 3MB‐PP1, IC50, 2.0 μM; and 1NA‐PP1, IC50, 8.6 μM) but only 3MB‐PP1 had inhibitory potential (IC50 > 10 μM) toward wild‐type ZIPK. Each of the compounds also attenuated Rho‐associated coiled‐coil containing protein kinase (ROCK) activity under experimental conditions found to be optimal for inhibition of L93G‐ZIPK. In silico molecular simulations showed effective docking of 1NM‐PP1 into ZIPK following mutational enlargement of the ATP‐binding pocket. Molecular simulation of 1NM‐PP1 docking in the ATP‐binding pocket of ROCK was also completed. The 1NM‐PP1 inhibitor was selected as the optimal compound for selective chemical genetics in smooth muscle cells since it displayed the highest potency for L93G‐ZIPK relative to WT‐ZIPK and the weakest off‐target effects against other relevant kinases. Finally, the 1NM‐PP1 and L93G‐ZIPK pairing was effectively applied in vascular smooth muscle cells to manipulate the phosphorylation level of LC20, a previously defined target of ZIPK.
Lithium‐Ion Battery Electrochemical‐Thermal Model Using Various Materials as Cathode Material: A Simulation Study
Authors: Zheng Gang , Zhang Wenchao , Huang Xiaodong
Published: November 2018

In this paper, the electrochemical‐thermal characteristics are studied by using 2D (two‐dimensional) axisymmetric multi‐physics model coupled with a 1D (one‐dimension) model to study thermal safety of the 18650 lithium‐ion battery with various cathode materials. LiCoO2 (LCO), LiFePO4 (LFP), LiMn2O4 (LMO), LiNi0.8Co0.15Al0.05O2 (NCA) and LiNi1/3Co1/3Mn1/3O2 (NMC) materials have been modeled about their temperature change in different charge/discharge rates. Also, battery with identical cathode material under various charging and discharging ratio is studied about the temperature safety. The simulation results showed that the temperature roughly increases by 5 degrees with the ratio of each increment of 2C for an identical material. Under the 10C ratio, the highest temperature of LiFePO4 and LiNi0.8Co0.15Al0.05O2 is 63.6 oC and 63.8 oC respectively, which means they have the best thermal stability and thermal safety. Among the five positive electrode materials, the thermal stability of LiFePO4, LiNi0.8Co0.15Al0.05O2, LiMn2O4, LiNi1/3Co1/3Mn1/3O2 and LiCoO2 decreased successively. The influence of different materials and charge/discharge ratio on the thermal behavior of the battery was analyzed and discussed. The simulation results are similar to the prediction results, but it can get the visualized results in principle with the advantage of shorter time, which is instructive to vast researchers.
Metal‐ and Solvent‐Free Phosphine Mediated Synthesis of Multisubstituted Furans via Intramolecular Annulation of 1, 4‐Enediones
Authors: Rajeshkumar Venkatachalam , Neelamegam Chinnaraj , John Lisa , Anandan Sambandam
Published: November 2018

This paper describes the synthesis of multisubstituted furans through tricyclohexylphophine mediated intramolecular annulation of 1, 4‐enediones under solvent‐free greener reaction conditions. The reaction proceeds via nucleophilic attack of P(Cy)3 on the β‐carbon of 1, 4‐enediones to form oxaphosphetanes with new C–O bond formation which further eliminates O=P(Cy)3 to afford furans. The present methodology is compatible with a wide range of substrates and enabled the synthesis of a broad range of biologically significant furan derivatives in good to excellent yields (55–93%).
Thienochrysenocarbazole‐Based Dyes for Solar Cell: A Theoretical Investigation of the Tethering‐Position‐Related Influence of Triple‐Bond on the Electronic and Optical Properties
Authors: Mu Yanfei , Dong Guangxing , Dong Xiandui , Zhang Min
Published: November 2018

The development of organic dyes based on polycyclic aromatic hydrocarbons (PAHs) donors characteristic of coplanar skeleton in conjunction with acceptors involving benzothiadiazole unit recently brought forth consecutive improvement for dye‐sensitized solar cells (DSCs). In this paper, we systematically investigate the tethering‐position‐related influence of triple‐bond insertion on the intrinsic geometric, electronic and optical properties of organic dyes with PAHs as the central blocks based on the density functional theory. We consider two isomer donors, where a thienochrysenocarbazole (TCC) unit is substituted by alkoxyphenyl at either thiophene (t‐PTCC) or naphthalene (n‐PTCC) moiety, with benzothiadiazole‐benzoic acid acceptor linked to the donor either directly or through ethynyl linkage. The tethering‐position‐related torsion angle between the donor and acceptor plays a significant role in determining the electronic and optical properties of these sensitizers. The introduction of triple‐bond can bring forth improved coplanarity of skeleton as well as energy‐gap shrinkage; however, it also results in an increased distance between the spatial distributions of the frontier molecular orbitals. Our study has underlined that the resultant red or blue shifting of absorption spectrum induced by the triple‐bond insertion is jointly determined by the interplay between the overlap degree of frontier molecular orbitals and energy‐gap.
An Efficient Chemical Conversion of Glycerol to Dihydroxyacetone
Authors: Ulgheri Fausta , Spanu Pietro
Published: November 2018

We report a new and efficient one‐pot oxidation of glycerol to dihydroxyacetone by using cheap and safe positive chlorine sources in presence of a Lewis acid catalyst. High selectivity and yields were obtained under mild conditions. The best results were obtained with aluminium chloride hexahydrate, but also zeolites or alumina can catalyse the reaction. This methodology provides a direct and convenient chemical route for the production of dihydroxyacetone.
Phosphate Species up to 70% Mass Ratio for Enhanced Pseudocapacitive Properties
Authors: Li Shaofeng , Yu Chang , Yang Ying , Song Xuedan , Chen Shuangming , Song Li , Qiu Bo , Yang Juan , Huang Huawei , Guo Wei , Zhao Changtai , Zhang Mengdi , Qiu Jieshan
Published: November 2018

The emerging phosphate species on the surface or near‐surface of electrode materials are versatile and have an intriguing ability for dramatically enhanced electrochemical performance. Unfortunately, the distribution/dispersion of phosphate species still keeps at levels on the exterior not within the interior surface of materials, and the micro‐/nanoscale tuning is commonly rarely concerned and its function remains poorly understood. Herein, for the first time, well‐dispersed phosphate species up to 70% mass ratio implanted within Ni‐doped CoP nanowire matrix are presented via an efficient low‐temperature phosphorization strategy. The resultant nanohybrids possess kinetics‐favorable open frameworks with abundant mesopores and a high degree covalency in the chemical bonds, thus leading to rapid mass transport/charge transfer and enhanced redox reaction kinetics. Remarkably, the phosphate species feature superwettability toward water and strong affinity for OH− in the electrolyte, evidenced by the shortened distance and reduced adsorption energy between the OH− and the nuclear Co atoms on the nanohybrids as revealed by density functional theory calculations. As such, the nanohybrids exhibit an ultrahigh specific capacity of 250 mAh g−1 even at 50 A g−1. This work presents a deeper understanding of the dispersion and role of phosphate species for supercapacitors and other energy‐related storage/conversion devices.
Integrating a Gender Equity Lens: Shifting and Broadening the Focus of Women's Centers on College Campuses
Authors: Kupo V. Leilani , Castellon Jessica
Published: November 2018

What stakes do women's centers have in doing work that focuses on masculinity? Women's centers play an essential role in helping to understand, identify, and deconstruct masculinities. Through the lens of gender equity, this chapter examines how center staff members and other professionals can provide frameworks and language that influence campus climate. The authors interrogate the ways in which staff members can aid in shifting how the community relates to the constructs of masculinities within the context of social oppression.
Practices for Promoting Mindful Masculinities
Authors: Davis Tracy , Moody Brett
Published: November 2018

This chapter explores how mindfulness practices infused into professional preparation curriculum can promote awareness of the individual and institutional dimensions of gender, de‐center masculinities, and promote appropriate learning practices both in and outside of the graduate classroom. Mindful masculinities are introduced as a sustainable model for practitioners wanting to promote students’ healthy identity development.
Short White Coats: Knowledge, Identity, and Status Negotiations of First‐Year Medical Students
Authors: Vinson Alexandra H.
Published: November 2018

This paper investigates the meanings medical students invest in their white coats and how these meanings shape students' strategic use of the white coat as a status symbol. During a four‐year ethnography of medical education, I found that the white coat signified knowledgeability and was used to assert status. In interactions students policed their own and each other's status displays, a process I identify as an instance of status management in medical training. An analysis of the meanings and conventional uses of the short white coat increases our understanding of how novice trainees negotiate their place in a new social order.
Instrumental Rationality Without Separability
Authors: Thoma Johanna
Published: November 2018

This paper argues that instrumental rationality is more permissive than expected utility theory. The most compelling instrumentalist argument in favour of separability, its core requirement, is that agents with non-separable preferences end up badly off by their own lights in some dynamic choice problems. I argue that once we focus on the question of whether agents’ attitudes to uncertain prospects help define their ends in their own right, or instead only assign instrumental value in virtue of the outcomes they may lead to, we see that the argument must fail. Either attitudes to prospects assign non-instrumental value in their own right, in which case we cannot establish the irrationality of the dynamic choice behaviour of agents with non-separable preferences. Or they don’t, in which case agents with non-separable preferences can avoid the problematic choice behaviour without adopting separable preferences.
Correction to: “Till at last there remain nothing”
Authors: Atkinson David , Peijnenburg Jeanne
Published: November 2018

The original article has been corrected. Erroneously, a comma and a space were added in line 164 to 500, 500, and the authors would like readers to know that this should instead read 500,500.
Modelling and Simulating Airport Surface Operations with Gate Conflicts
Authors: Zelinski S. , Windhorst R.
Published: November 2018

The Surface Operations Simulator and Scheduler (SOSS) is a fast-time simulation of the airport surface used to rapidly develop and test new surface scheduling concepts. Gate conflicts present a challenge for surface scheduling. A late departure pushback or early arrival sharing the same gate can cause a gate conflict, which if left unmanaged, can lead to surface gridlock. Surface scheduling concepts that meter departures at their gates can increase the likelihood of gate conflicts. In real operations, hardstand areas are used to temporality park aircraft out of the way to avoid gate conflicts. New SOSS models and functionality for hardstand operations were developed to simulate gate conflict management approaches using hardstands to temporarily park either the arrival or departure out of the way of the other. Four gate conflict management approaches were simulated with surface scheduling and their effects on surface operations were compared. The four gate conflict management approaches each allowed a unique subset of resolution actions including early departure pushback, sending the departure to the hardstand, and sending the arrival to the hardstand. The gate conflict management approaches allowing arrivals to be sent to the hardstand were found to be most successful in resolving the gate conflicts and maintaining scheduler performance measured by takeoff time predictability.
Comparing Universal and Targeted Delivery of a Mindfulness-Based Program for Anxiety in Children
Authors: Etherington Victoria , Costello Shane
Published: November 2018

Schools are increasingly being identified as ideal settings for early intervention for anxiety and other mental health challenges; however, questions remain about whether individuals who require the most assistance will receive it in more universally applied intervention programs. This study compared targeted and universal delivery approaches of a social and emotional learning intervention for anxiety, using a mixed-methods approach. 66 upper primary aged children (50.9% male) completed a brief mindfulness-based group program, with 46 students in the universal group. The remaining participants (n = 20) were part of the targeted group, selected because they were deemed ‘at risk’ of social and emotional maladjustment. Significant improvements in mean anxiety scores were found for the targeted group and a subset of the universal group, who reported elevated anxiety pre-program, but not for the universal group as a whole. Thematic analysis of semistructured interviews indicated positive experiences from both methods of delivery. These results indicate that a universal delivery is appropriate for social and emotional learning programs, providing opportunities for the greatest number of students, while also supporting those students who were experiencing more significant levels of anxiety.
Employers’ perspectives regarding reasonable accommodations for employees with autism spectrum disorder
Authors: Waisman-Nitzan Michal , Gal Eynat , Schreuer Naomi
Published: November 2018

Employers who are open to the establishment of a neuro-diverse workforce, including adults with autism spectrum disorder (ASD), often encounter challenges resulting from both personal characteristics and environmental barriers. Employees with ASD demonstrate evident abilities and a high motivation to work, yet their employment rate remains low. This qualitative phenomenological study explored the perspectives of 11 employers of individuals with ASD from the open labour market. Three themes emerged: employers’ perception of employees with ASD; their motivation to employ an employee with ASD; and accessibility of the work environment: reasonable adjustments. The findings support the importance of factors in the work environment that serve to either inhibit or facilitate the inclusion of people with ASD in the open labour market as much as their personal characteristics. The results relate to workplace accessibility within the context of the organization’s management and justice climate.
Substrate specificity of the neutral sphingomyelinase fromTrypanosoma brucei
Authors: Dickie Emily A. , Young Simon A. , Smith Terry K.
Published: November 2018

The kinetoplastid parasiteTrypanosoma bruceicauses African trypanosomiasis in both humans and animals. Infections place a significant health and economic burden on developing nations in sub-Saharan Africa, but few effective anti-parasitic treatments are currently available. Hence, there is an urgent need to identify new leads for drug development. TheT. bruceineutral sphingomyelinase (TbnSMase) was previously established as essential to parasite survival, consequently being identified as a potential drug target. This enzyme may catalyse the single route to sphingolipid catabolism outside theT. bruceilysosome. To obtain new insight into parasite sphingolipid catabolism, the substrate specificity of TbnSMase was investigated using electrospray ionization tandem mass spectrometry (ESI-MS/MS). Recombinant TbnSMase was shown to degrade sphingomyelin, inositol-phosphoceramide and ethanolamine-phosphoceramide sphingolipid substrates, consistent with the sphingolipid complement of the parasites. TbnSMase also catabolized ceramide-1-phosphate, but was inactive towards sphingosine-1-phosphate. The broad-range specificity of this enzyme towards sphingolipid species is a unique feature of TbnSMase. Additionally, ESI-MS/MS analysis revealed previously uncharacterized activity towardslyso-phosphatidylcholine despite the enzyme's inability to degrade phosphatidylcholine. Collectively, these data underline the enzyme's importance in choline homoeostasis and the turnover of sphingolipids inT. brucei.