bluuebunny/crossref_metadata_2025 huggingface dataset:
Simplified procedures for estimation of biological occupational exposure limits
Authors: Kawai Toshio , Sakurai Haruhiko , Ikeda Masayuki
Published: March 2019

Objectives

To simplify the procedures to estimate biological occupational exposure limits (BOELs) by use of the ratio of geometric mean (GM) concentration of un-metabolized organic solvent in urine (U-GM) over GM organic solvent concentration in air (A-GM) (the [U-GM/A-GM] ratio).

Methods

Occupational Exposure Limits (OELs) and BOELs were cited from publications from the Japan Society of Occupational Health (JSOH) and the American Conference of Governmental Industrial Hygienists (ACGIH). Data on [U-GM/A-GM] and the SLOPE of exposure-excretion regression line were collected from published articles (men and women were treated separately). Correlation analysis and paired t test were employed as the method to examine statistical significances.

Results

Significant linear correlation was established between the SLOPE and the [U-GM/A-GM]. Thus, it was considered to be possible to calculate the SLOPE value from the [U-GM/A-GM]. Previously established equation of BOEL = SLOPE × OEL allowed to estimate BOEL values in 22 cases of data sets. The comparison of the estimated BOELs with the existing BOELs (JSOH’s BOELs and ACGIH’s BEIs) in terms of the ratio of [(estimated BOEL)/(existing BOEL)] showed that the ratios for the 22 cases probably distributed log-normally with a GM of 0.85, and the maximum was 5. Therefore, the estimated BOEL may be generally applicable in occupational health when BOEL remains yet to be established. In the worst case, the estimated BOEL may be five times greater than it should be. The recommended procedures for application of estimated BOEL values were described.

Conclusion

Simplified procedures for estimation of BOEL values are proposed.
A multiparametric method to assess the MIM deformable image registration algorithm
Authors: Calusi Silvia , Labanca Giusy , Zani Margherita , Casati Marta , Marrazzo Livia , Noferini Linhsia , Talamonti Cinzia , Fusi Franco , Desideri Isacco , Bonomo Pierluigi , Livi Lorenzo , Pallotta Stefania
Published: March 2019

A quantitative evaluation of the performances of the deformable image registration (DIR) algorithm implemented in MIM‐Maestro was performed using multiple similarity indices. Two phantoms, capable of mimicking different anatomical bending and tumor shrinking were built and computed tomography (CT) studies were acquired after applying different deformations. Three different contrast levels between internal structures were artificially created modifying the original CT values of one dataset. DIR algorithm was applied between datasets with increasing deformations and different contrast levels and manually refined with the Reg Refine tool. DIR algorithm ability in reproducing positions, volumes, and shapes of deformed structures was evaluated using similarity indices such as: landmark distances, Dice coefficients, Hausdorff distances, and maximum diameter differences between segmented structures. Similarity indices values worsen with increasing bending and volume difference between reference and target image sets. Registrations between images with low contrast (40 HU) obtain scores lower than those between images with high contrast (970 HU). The use of Reg Refine tool leads generally to an improvement of similarity parameters values, but the advantage is generally less evident for images with low contrast or when structures with large volume differences are involved. The dependence of DIR algorithm on image deformation extent and different contrast levels is well characterized through the combined use of multiple similarity indices.
Influence of affective distractors on working memory capacity in relation to symptoms of posttraumatic stress disorder
Authors: Mirabolfathi Vida , Moradi Ali Reza , Jobson Laura
Published: March 2019

Symptoms evoked in individuals with posttraumatic stress disorder (PTSD) when processing trauma‐relevant material arguably impair higher order cognitive functions. An example is working memory capacity (WMC), which has been shown to be disrupted by affective distractors. However, it is unknown whether this association varies across different types of PTSD symptoms. This study explored the association between WMC performed in affective (relative to neutral) contexts in relation to different symptoms of PTSD (avoidance, re‐experiencing, hyperarousal). Motor vehicle accident survivors with PTSD and without PTSD completed a delayed‐match‐to‐sample task including trauma‐related, neutral, and scrambled distractors in the interval between the presentation of the memoranda and the recognition target. The results showed that there was support for an indirect pathway between PTSD diagnosis and WMC performed in affective (versus neutral) contexts through re‐experiencing and avoidance symptoms. The findings suggest that avoidance symptoms in particular may benefit from interventions directed at improving WMC.
A Highly Transparent Artificial Photonic Nociceptor
Authors: Kumar Mohit , Kim Hong‐Sik , Kim Joondong
Published: March 2019

A nociceptor is an essential element in the human body, alerting us to potential damage from extremes in temperature, pressure, etc. Realizing nociceptive behavior in an electronics device remains a central issue for researchers, designing neuromorphic devices. This study proposes and demonstrates an all‐oxide‐based highly transparent ultraviolet‐triggered artificial nociceptor, which responds in a very similar way to the human eye. The device shows a high transmittance (>65%) and very low absorbance in the visible region. The current–voltage characteristics show loop opening, which is attributed to the charge trapping/detrapping. Further, the ultraviolet‐stimuli‐induced versatile criteria of a nociceptor such as a threshold, relaxation, allodynia, and hyperalgesia are demonstrated under self‐biased condition, providing an energy‐efficient approach for the neuromorphic device operation. The reported optically controlled features open a new avenue for the development of transparent optoelectronic nociceptors, artificial eyes, and memory storage applications.
Asymmetric 3D Elastic–Plastic Strain‐Modulated Electron Energy Structure in Monolayer Graphene by Laser Shocking
Authors: Motlag Maithilee , Kumar Prashant , Hu Kevin Y. , Jin Shengyu , Li Ji , Shao Jiayi , Yi Xuan , Lin Yen‐Hsiang , Walrath Jenna C. , Tong Lei , Huang Xinyu , Goldman Rachel S. , Ye Lei , Cheng Gary J.
Published: March 2019

Graphene has a great potential to replace silicon in prospective semiconductor industries due to its outstanding electronic and transport properties; nonetheless, its lack of energy bandgap is a substantial limitation for practical applications. To date, straining graphene to break its lattice symmetry is perhaps the most efficient approach toward realizing bandgap tunability in graphene. However, due to the weak lattice deformation induced by uniaxial or in‐plane shear strain, most strained graphene studies have yielded bandgaps <1 eV. In this work, a modulated inhomogeneous local asymmetric elastic–plastic straining is reported that utilizes GPa‐level laser shocking at a high strain rate (dε/dt) ≈ 106–107 s−1, with excellent formability, inducing tunable bandgaps in graphene of up to 2.1 eV, as determined by scanning tunneling spectroscopy. High‐resolution imaging and Raman spectroscopy reveal strain‐induced modifications to the atomic and electronic structure in graphene and first‐principles simulations predict the measured bandgap openings. Laser shock modulation of semimetallic graphene to a semiconducting material with controllable bandgap has the potential to benefit the electronic and optoelectronic industries.
New Strategy to Overcome the Instability That Could Speed up the Commercialization of Perovskite Solar Cells
Authors: Amiri Omid , Rezaee Amir Ehsan , Teymourinia Hakimeh , Salavati‐Niasari Masoud , Guo L. Jay , Baktash Ardashir
Published: March 2019

Current efficiency of perovskite solar cells has reached 23.7%, which is comparable with silicon solar cells. However commercial development is seriously hindered by the instability of the perovskite, especially under moisture conditions. Therefore it is crucial to gain clear understanding of the mechanism of degradation of organic–inorganic perovskite in order to achieve stable perovskite devices. In this paper, the formation and the degradation of perovskite film on different charge transport layers such as a compact TiO2 layer, compact ZnO layer, and ZnO foil, Si nanowires, and porous Si are studied. In addition, density functional theory studies are carried out to better understand the interaction between the perovskite film and substrates. Experimental and theoretical results are combined to draw more reliable conclusion regarding the degradation mechanism. Most notably, the investigations show that the interaction between the iodine (I) atom in the perovskite layer and substrate determine the stability of perovskite cells. As a result, Si has minimum interaction with I atoms and shows maximum stability, while perovskite film degrades on TiO2 film almost immediately.
Integration of Ultrathin Metasurfaces with a Lens for Efficient Polarization Division Multiplexing
Authors: Cong Xuan , Zhang Lei , Li Jiaqi , Zhang Min , Su Hong , Li Irene Ling , Ruan Shuangchen , Liang Huawei
Published: March 2019

Integration of an ultrathin (≈0.08 λ), flexible bilayer metasurface with a conventional lens is proposed to independently control two orthogonally polarized waves. By judiciously selecting the building blocks of the metasurfaces, several control functionalities are demonstrated such as generating Bessel beams and off‐axis and on‐axis focusing for the cross‐polarized THz waves generated in the polarization conversion resonance. Simultaneously, the lens focuses the copolarized waves normally. Then, THz polarization division multiplexing is achieved, and the total control efficiency is as high as 72–88% in the experiment. Furthermore, the proposed metasurface is fabricated via a cost‐effective standard flexible printed circuit technique, which shows high potential for integration with other functional devices. It is believed that the strategy to integrate metasurfaces with conventional elements will greatly enrich the family of THz functional devices.
Human speech reduces pygmy marmoset (Cebuella pygmaea) feeding and resting at a Peruvian tourist site, with louder volumes decreasing visibility
Authors: Sheehan Rebecca L. , Papworth Sarah
Published: March 2019

Although potentially beneficial in terms of raising awareness and conservation funding, tourist visitation of wild primates can have negative impacts on visited groups. Tourism‐generated noise is a relatively understudied facet of ecotourism research, and the effects of tourist‐generated speech on free‐ranging, wild primates has never been explored previously. This study investigates the behavioral responses of 10 groups of pygmy marmosets (Cebuella pygmaea) to human speech. Through the use of an experimental playback study using recorded human speech, we show that pygmy marmosets within the Tamshiyacu‐Tahuayo Reserve, Peru, are significantly less visible, and often move completely out of sight after louder playbacks. Although no consistent differences were found in other behaviors with playback duration and volume, playbacks of human speech tended to increase the amount of time individuals were alert and decrease feeding and resting behaviors. Our results demonstrate that human speech can alter the behavior of visited primates, and identifies a decrease in primate visibility within the increasing volume. As all trials in this study took place near a marmoset group's feeding tree, moving out of sight from the visible study area is a particularly energetically costly behavior, and also has a negative effect on visitor enjoyment as it limits the time that they are able to view the target species. This response was not observed (nor was any other consistent behavior change) in control trials where the marmosets were exposed to human presence but not to speech, suggesting that negative tourist impacts can be reduced by encouraging tourists to refrain from speaking in the presence of visited primate groups.
An Auto‐Switchable Dual‐Mode Seawater Energy Extraction System Enabled by Metal–Organic Frameworks
Authors: Zhang Wei , Chen Wenqian , Zhao Xiaoli , Dang Qi , Li Yucen , Shen Tianyu , Wu Fengchang , Tang Liang , Jiang Hu , Hu Ming
Published: March 2019

Harvesting energy directly in oceans by electrochemical devices is essential for driving underwater appliances such as underwater vehicles or detectors. Owing to the extreme undersea environment, it is important but difficult to use the devices with both a high energy density and power density simultaneously. Inspired by marine organisms that have switchable energy extraction modes (aerobic respiration for long‐term living or anaerobic respiration to provide instantaneously high output power for fast movement), an auto‐switchable dual‐mode seawater energy extraction system is presented to provide high energy density and power density both by initiatively choosing different solutes in seawater as electron acceptors. With assistance from metal–organic frameworks, this device had a theoretical energy density of 3960 Wh kg−1, and a high practical power density of 100±4 mW cm−2 with exceptional stability and low cost, making practical applications in seawater to be possible.
To be or not to be (embodied): That is not the question
Authors: Lueg Christopher
Published: March 2019

Two articles in a recent special issue on Information and the Body published in the journal Library Trends stand out because of the way they are identifying, albeit indirectly, a formidable challenge to library information science (LIS). In her contribution, Bates warns that understanding information behavior demands recognizing and studying “any one important element of the ecology [in which humans are embedded].” Hartel, on the other hand, suggests that LIS would not lose much but would have lots to gain by focusing on core LIS themes instead of embodied information, since the latter may be unproductive, as LIS scholars are “latecomer[s] to a mature research domain.” I would argue that LIS as a discipline cannot avoid dealing with those pesky mammals aka patrons or users; like the cognate discipline and “community of communities” human computer interaction (HCI), LIS needs the interdisciplinarity to succeed. LIS researchers are uniquely positioned to help bring together LIS's deep understanding of “information” and embodiment perspectives that may or may not have been developed in other disciplines. LIS researchers need to be more explicit about what their original contribution is, though, and what may have been appropriated from other disciplines.
Introducing a new measure of residential water rate progressivity
Authors: Switzer David
Published: March 2019

Utility rate structures play a crucial role in water conservation. Rate structures send signals to consumers about the desired level of water consumption. Despite the importance of rates as a form of conservation policy, there is currently no broadly comparable measure of the conservation orientation of utility rate structures across rate structure types. Previous studies investigating the correlates of rate structures have made use of a dichotomous variable of whether a utility has adopted conservation‐oriented rates. I develop a slope‐based measure of rate progressivity to capture the variation of water rates. Using an original data set of utility rates data for 852 U.S. cities, I explore the distribution and variety of water rates across the United States and use a statistical analysis to explore the potential correlates of municipal rate progressivity, showing differences between the dichotomous and continuous measures.
Vereinfachte Simulation von Zugüberfahrten
Authors: Bigelow Hetty , Hoffmeister Benno , Feldmann Markus
Published: March 2019

Die Bemessung balkenartiger, einfeldriger Eisenbahnbrücken in WiB‐Bauweise ist maßgeblich an Fragestellungen zur zuverlässigen Abschätzung möglicher Resonanzrisiken gekoppelt. Bekanntlich verhalten sich WiB‐Brücken in der Realität deutlich günstiger als anhand von Berechnungen prognostiziert. In vielen Fällen kann der vereinfachte rechnerische Resonanznachweis gemäß DIN EN 1991‐2 für Überfahrtsgeschwindigkeiten vö ≤ 200 km/h nicht erbracht werden, sodass eine Vielzahl von Zugüberfahrten anhand numerischer Modelle zu simulieren ist. Bei vö > 200 km/h sind immer Simulationsrechnungen erforderlich.

Der vorliegende Beitrag zeigt, wie anhand äquivalenter Einmassensysteme Zugüberfahrten simuliert werden können. Am äquivalenten System werden zunächst vertikale Durchbiegungen und Beschleunigungen in Feldmitte des Ausgangsbalkensystems ermittelt. Aus den Ergebnissen lassen sich alle bemessungsrelevanten Zustandsgrößen ermitteln. Die signifikante Zeitersparnis im Vergleich zur Berechnung mit einem Balkensystems resultiert daraus, dass die entsprechenden Zustandsgrößen lediglich an relevanten Stellen im System ermittelt werden.

In diesem Beitrag werden ideal gelenkig gelagerte Balkensysteme und Balkensysteme mit zusätzlichen Drehfedern an den Auflagern (Abbildung der Einspannwirkung von über die Brückenenden hinauslaufenden Gleisen) in äquivalente Einmassensysteme überführt. Die am äquivalenten System ermittelten Ergebnisse werden durch Vergleichsrechnungen an Balkensystemen verifiziert.
Species differences in metabolism of a new antiepileptic drug candidate, DSP‐0565 [2‐(2′‐fluoro[1,1′‐biphenyl]‐2‐yl)acetamide]
Authors: Yahata Masahiro , Ishii Yuji , Nakagawa Tetsuya , Watanabe Takao , Bando Kiyoko
Published: March 2019

The metabolism and pharmacokinetics of DSP‐0565 [2‐(2′‐fluoro[1,1′‐biphenyl]‐2‐yl)acetamide], an antiepileptic drug candidate, was investigated in rats, dogs, and humans. In human hepatocytes, [14C]DSP‐0565 was primarily metabolized via amide bond hydrolysis to (2′‐fluoro[1,1′‐biphenyl]‐2‐yl)acetic acid (M8), while in rat and dog hepatocytes, it was primarily metabolized via both hydrolysis to M8 and hydroxylation at the benzene ring or the benzyl site to oxidized metabolites. After single oral administration of [14C]DSP‐0565 to rats and dogs, the major radioactivity fraction was recovered in the urine (71–72% of dose) with a much smaller fraction recovered in feces (23–25% of dose). As primary metabolites in their excreta, M8, oxidized metabolites, and glucuronide of DSP‐0565 were detected. The contribution of metabolic pathways was estimated from metabolite profiles in their excreta: the major metabolic pathway was oxidation (57–62%) and the next highest was the hydrolysis pathway (23–33%). These results suggest that there are marked species differences in the metabolic pathways of DSP‐0565 between humans and animals. Finally, DSP‐0565 human oral clearance (CL/F) was predicted using in vitro–in vivo extrapolation (IVIVE) with/without animal scaling factors (SF, in vivo intrinsic clearance/in vitro intrinsic clearance). The SF improved the underestimation of IVIVE (fold error = 0.22), but the prediction was overestimated (fold error = 2.4–3.3). In contrast, the use of SF for hydrolysis pathway was the most accurate for the prediction (fold error = 1.0–1.4). Our findings suggest that understanding of species differences in metabolic pathways between humans and animals is important for predicting human metabolic clearance when using animal SF.
Synthesis and characterization of cadmium selenide quantum dots doped by europium and investigation of their chemiluminescence properties and antibacterial activities
Authors: Nazari O. , Gouran Orimi P. , Chaichi M.J. , Mohseni M.
Published: March 2019

Nanoparticles of cadmium selenide (CdSe) doped with europium, were synthesized as stabilizing agents using thioglycolic acid ligand. This method is based on the enhancing effect of CdSe quantum dots (QDs) doped with europium on chemiluminescence (CL) emission. This emission was generated by mixing CdSe QDs with manganese (II), iron (II) and chrome (II) sulfates as catalysts in the presence of hydrogen peroxide (H2O2). The structural characteristics and morphology of these nanoparticles were investigated by scanning electron microscopy, Fourier transform infrared spectroscopy, ultraviolet–visible absorption spectroscopy, X‐ray pattern and dynamic light scattering methods. The CdSe QDs doped with europium were used as the sensitizer in a luminol−hydrogen peroxide CL system. The sensitized CdSe QDs were analyzed for antibacterial activity against Gram‐positive or Gram‐negative bacteria. The results showed that the CdSe QDs are effective against all the studied bacteria, effectiveness was especially higher for Bacillus subtilis.
Pathway Engineering of Bacillus subtilis for Enhanced N‐Acetylneuraminic Acid Production via Whole‐Cell Biocatalysis
Authors: Zhao Lin , Tian Rongzhen , Shen Qingyang , Liu Yanfeng , Liu Long , Li Jianghua , Du Guocheng
Published: March 2019

N‐acetylneuraminic acid (NeuAc) is a common sialic acid that has a wide range of applications in nutraceuticals and pharmaceuticals. However, low production efficiency and high environmental pollution associated with traditional extraction and chemical synthesis methods constrain the supply of NeuAc. Here, a biological approach is developed for food‐grade NeuAc production via whole‐cell biocatalysis by the generally regarded as safe (GRAS) bacterium Bacillus subtilis (B. subtilis). Promoters for controlling N‐acetylglucosamine 2‐epimerase (AGE) and NeuAc adolase (NanA) are optimized, yielding 32.84 g L−1 NeuAc production with a molar conversion rate of 26.55% from N‐acetylglucosamine (GlcNAc). Next, NeuAc production is further enhanced to 46.04 g L−1, which is 40.2% higher than that of the strain with promoter optimization, by expressing NanA from Staphylococcus hominis instead of NanA from Escherichia coli. To enhance the expression level of ShNanA, the N‐terminal coding sequences of genes with high expression levels are fused to the 5′‐end of the ShNanA gene, resulting in 56.82 g L−1 NeuAc production. Finally, formation of the by‐product acetoin from pyruvate is blocked by deleting the alsS and alsD genes, resulting in 68.75 g L−1 NeuAc production with a molar conversion rate of 55.57% from GlcNAc. Overall, a GRAS B. subtilis strain is demonstrated as a whole‐cell biocatalyst for efficient NeuAc production.
Simulation of Electrolyte Imbibition in Gas Diffusion Electrodes
Authors: Kunz Philip , Hopp‐Hirschler Manuel , Nieken Ulrich
Published: March 2019

The performance of the gas diffusion electrode (GDE) is most crucial for technical processes like chlor‐alkali electrolysis. It is responsible to ensure intimate contact between gaseous reactants, catalyst, and electrolyte. The physically based contact line force model is employed to simulate the electrolyte imbibition into solid microstructures using the smoothed particle hydrodynamics method. Simulations are presented to show key aspects like the effect of heterogeneous solid substrates with different wetting behavior. Finally, the imbibition in a real GDE geometry is studied for given flux or pressure inlet conditions.
Guide to simulating complex NMR probe circuits
Authors: Doty Francis David
Published: March 2019

S‐parameter‐based circuit simulators are well suited to obtaining accurate solutions of even the most complex rf probe circuits. The basic theory necessary for determining the relative S/N of the probe circuit, based on B1/P0.5, from the voltage, current, impedance, and S‐parameter data that come from circuit simulators, is presented. Examples of simulator applications to circuits of increasing complexity are presented. A key requirement for effective utilization of circuit simulators in probe circuit optimizations is constructing an approximate analytical solution of the circuit, or an inverse simulation program, to accompany the direct circuit simulation, that calculates all the needed circuit component values based on minimal input data, such as B0, desired nuclides, sample coil description, and hardware options and details such as characteristics of various leads. A method of developing the needed inverse simulation program is presented for a simplified single‐coil HXY probe circuit. The inverse program is validated by the direct simulation itself. The methods are then applied to a detailed circuit that includes all significant leads, stray capacitances, couplings, and losses for a NB 28.2‐T 1‐mm HXYZ MAS probe. Similar HXY circuit models were validated by NMR experiments with rotor sizes from 0.75 mm to 3.2 mm at fields from 11.7 T to 21 T. Detailed HXYZ circuit model results at 11.7 T, including pulse widths, component values, voltages, and port isolations, agreed with experimental results within a few per cent. The 1200‐MHz HXYZ simulation predicted a 1H π/2 pulse of 1.3 μs at 25 W.
Thiophenol‐Modified Fluorographene Derivatives for Nonlinear Optical Applications
Authors: Stathis Aristeidis , Papadakis Ioannis , Karampitsos Nikolaos , Couris Stelios , Potsi Georgia , Bourlinos Athanasios B. , Otyepka Michal , Zboril Radek
Published: March 2019

The synthesis and characterization of two thiophenol‐modified fluorographene derivatives, namely methoxythiophenol‐and dimethylaminothiophenol‐modified fluorographenes, are reported, while their third‐order nonlinear optical response were thoroughly investigated under both visible (532 nm) and infrared (1064 nm) with 35 ps and 4 ns laser pulses. The graphene derivatives were obtained by partial nucleophilic substitution/reduction of fluorographene by the corresponding organic thiophenols, and were fully characterized by techniques including infrared/Raman spectroscopy, X‐ray photoelectron spectroscopy, atomic force spectroscopy, and high‐resolution transmission microscopy. This type of modification resulted in graphenic structures where the attached thiol groups, sp2 domains, and the residual fluorine groups act as donors, π bridges, and acceptors, respectively. Both derivatives exhibited large nonlinear optical response compared to fluorographene, and have potential applications in optical limiting as an alternative to fullerenes.
Health care expenditure for delivery care between maternity waiting home users and nonusers inEthiopia
Authors: Getachew Biniam , Liabsuetrakul Tippawan
Published: March 2019

Objective

To compare the health care expenditures between maternity waiting home (MWH) users and nonusers in Ethiopia.

Methods

A cross‐sectional study was done in Ethiopia between December 2017 and June 2018. The study setting included eight health facilities in the Gurage zone of Ethiopia. Health expenditure for delivery care was the outcome variable that was then classified into out‐of‐pocket (OOP) payments, women's costs, total costs, and overall costs. Those health expenditures were then compared among MWH users and nonusers. OOP payments were further analyzed using quantile regression to explore associated factors.

Results

A total of 812 postpartum women were included in this study of whom half were MWH users. Significantly higher OOP payment, women's costs, total costs, and overall cost were found among MWH users compared with nonusers regardless of duration of MWH stay. The MWH users were more likely to have higher OOP payment compared with MWH nonusers in linear and quantile regressions for both unadjusted and adjusted analyses. Higher OOP payments were observed for longer distance traveled and cesarean section (CS) delivery women at the 75th and 90th quantiles of expenditure. Using public transportation was significantly associated with higher OOP payment in all quantile levels.

Conclusion

Utilization of MWH incurred higher OOP payments, total costs, women's costs, and overall costs compared with MWH nonusers. Higher OOP payments for delivery care among MWH users were observed in all quantiles of expenditure.
Reducing risk of head injury in youth soccer: An extension of behavioral skills training for heading
Authors: Quintero Laura M. , Moore James W. , Yeager M. Garrett , Rowsey Kyle , Olmi D. Joe , Britton‐Slater Joshua , Harper Michaela L. , Zezenski Lauren E.
Published: March 2019

Recently, concerns regarding sport‐related concussions have increased within the research literature, the media, and popular culture. One potential source of soccer‐related concussions involves the purposeful striking of the ball with one's head (i.e., heading). There is currently limited research on an effective teaching method to improve safe heading technique. In the current study, Behavior Skills Training (BST) was evaluated as a method to teach correct heading techniques to youth soccer players. BST increased the percentage of correct steps for each player based on a task analysis of heading. Based on social validity questionnaires administered to players and the coach, BST was rated as an acceptable form of training. After the final training session, experienced coaches rated each player as having improved from baseline to training.
Cracking of n‐octadecane: A molecular dynamics simulation
Authors: Ilyina Margarita G. , Shayakhmetova Regina K. , Khamitov Edward M. , Galiakhmetov Rail N. , Mustafin Ildar A. , Mustafin Akhat G.
Published: March 2019

Despite the extensive research studies, the understanding of the fundamental mechanisms of chemical transformations at the cracking of hydrocarbons remains unexplored. In the present study, the initial stages of both thermal and catalytic cracking of n‐octadecane C18H38 (with a nickel Ni49 particle as a catalyst) were investigated using the ReaxFF force field (the ReaxFF software package). The initial cracking mechanism of n‐octadecane was simulated at four different temperatures 1,800, 1,900, 2,000, and 2,200 K on a large interface system (2,849 atoms) consisting of 49 nickel atoms surrounded by 50 hydrocarbon molecules. Analysis of trajectories, according to the simulations, reveals a complex mechanism for initiating thermal and catalytic cracking of C18H38. Thermal cracking of C18H38 is initiated by breaking the C–C bond and proceeds via a free‐radical mechanism, whereas catalytic cracking is preferentially activated by deprotonation and protonation of the C–C bond. This work demonstrates that the ReaxFF force field can be actively used in the study of complex chemical transformations that occur at the cracking of hydrocarbons.
Solid‐state nuclear magnetic resonance investigation of neurosteroid compounds and magnesium interactions
Authors: Wu Danni , Carillo Kathleen Joyce D. , Tsai Shen‐Long , Shie Jiun‐Jie , Tzou Der‐Lii M.
Published: March 2019

The neurosteroid trans‐dehydroandrosterone (DHEA) and its analogs with slightly different modifications in the side chain attached to C17, that is, (3S)‐acetoxypregn‐5‐en‐20‐one (1) and (3S,20R)‐acetoxypregn‐5‐en‐20‐ol (2), have been synthesized to investigate DHEA–cation interactions. In this study, we applied solid‐state 1H/13C cross‐polarization/magic‐angle spinning (CP/MAS) nuclear magnetic resonance (NMR) spectroscopy to a series of DHEA analog/Mg2+ mixtures at different Mg2+ concentrations. The high‐resolution 13C NMR spectra of 1/Mg2+ mixtures exhibit two distinct 13C spectral patterns, one attributable to 1 free from Mg2+, and the other attributable to 1 with bound Mg2+. For 2, the 13C NMR spectra exhibit three distinct spectral patterns; besides that of the free form, the other two can be assigned to Mg2+‐bound forms. Based on the analysis of the chemical shift deviations (CSDs), we conclude that both 1 and 2 might be subject to a cation–π interaction via the C5–C6 double bond, in contrast to that observed previously for DHEA. As demonstrated, DHEA possesses two Mg2+ binding sites, that is, C17–O and C5–C6 double bond, in which the binding affinity of the former is at least three times stronger than that of the latter. The solid‐state 13C NMR investigation allows better understanding of the underlying cation binding effects of neurosteroid molecules in vitro.
Comparing Various In Vitro Prediction Methods to Assess the Potential of a Drug to Inhibit P‐glycoprotein (P‐gp) Transporter In Vivo
Authors: Zhou Tian , Arya Vikram , Zhang Lei
Published: March 2019

The evaluation of potential of a new molecular entity (NME) to inhibit P‐glycoprotein (P‐gp) in vivo is an integral part of drug development and is recommended by regulatory agencies. In this study, we compared the performance of 5 prediction methods and their associated criteria (including those from the European Medicines Agency, the US Food and Drug Administration, and the Pharmaceuticals and Medical Devices Agency of Japan) for assessing the potential of an NME to inhibit P‐gp in vivo based on in vitro assessment. We collected in vitro (eg, half‐maximal inhibitory concentration [IC50], fraction unbound to plasma protein) and in vivo (eg, dose, maximum concentration, change in maximum concentration or area under the plasma concentration–time curve of the substrate digoxin) data for 50 Food and Drug Administration–approved, orally administered drug products containing 53 NMEs, from the University of Washington Metabolism and Transport Drug Interaction Database, Drugs@FDA, and PubMed. All methods yielded similar accuracy with small differences in false‐negative (FN) and false‐positive (FP) predictions. In addition, use of ratio of the theoretical maximum gastrointestinal concentration to IC50 is sufficient for a reasonable prediction for these orally administered drugs as potential P‐gp inhibitors based on our dataset. The FN and FP rates varied depending on the cut‐off value for the ratio of the theoretical maximum gastrointestinal concentration/IC50. Possible reasons underlying FP and FN results from different methods should be taken into consideration to predict in vivo P‐gp inhibition.
Utility of Pyridine‐2(1H)‐thiones in the Synthesis of Novel Bis‐Thieno[2,3‐b]pyridines and Their Fused Azines
Authors: Sanad Sherif M. H. , Abdel‐Fattah Azza M. , Attaby Fawzy A. , Elneairy Mohamed A. A.
Published: March 2019

The starting materials pyridine‐2(1H)‐thiones are prepared and reacted with halogen‐containing reagents in ethanolic sodium acetate solution to give the corresponding 2‐S‐alkylpyridines, which cyclized upon their boiling in methanolic sodium methoxide solution at reflux to give the corresponding thieno[2,3‐b]pyridines in excellent yields. Bis (thieno[2,3‐b]pyridine‐2‐carboxamides), incorporating 2,6‐dibromophenoxy moiety, are prepared by the bis‐O‐alkylation of thieno[2,3‐b]pyridine‐2‐carboxamide derivatives. Two synthetic routes are designed to prepare the target molecules pyrido[3′,2′:4,5]thieno[3,2‐d]pyrimidin‐4(3H)‐ones, pyrido[3′,2′:4,5]thieno[3,2‐d][1,2,3]triazin‐4(3H)‐ones, and their bis‐analogues using thieno[2,3‐b]pyridine‐2‐carboxamides and their bis‐analogues. The structure of the target molecules is elucidated using elemental analyses as well as spectral data.
Comparing the catheter delivery system and the stylet delivery system for ventricular lead placement in pacemaker implantation—The CATS delivery system randomized controlled trial
Authors: Yamagata Kenichiro , Ishibashi Kohei , Nakajima Kenzaburo , Kataoka Naoya , Kamakura Tsukasa , Wada Mitsuru , Inoue Yuko , Miyamoto Koji , Nagase Satoshi , Noda Takashi , Aiba Takeshi , Yasuda Satoshi , Kusano Kengo
Published: March 2019

Background

Right ventricular lead placement is one of the fundamental procedures during pacemaker implantation through the subclavian vein. Currently, there are two techniques to deliver the lead to the right ventricle: the catheter and stylet delivery systems. Surgeons, especially trainees in the early stage of training, are known to face difficulty while delivering the lead to the right ventricle. The objective of this study is to investigate and compare the two techniques of lead delivery by trainees in patients who are scheduled to undergo pacemaker implantation.

Methods

This is a prospective, single‐center, randomized controlled clinical trial. One‐hundred patients who were scheduled to undergo pacemaker implantation with a right ventricular lead will be randomized such that the pacemaker can be implanted via either the catheter delivery system or the stylet delivery system at a 1:1 ratio. The primary endpoint is the total number of attempts needed to place the lead in the ideal position. Secondary endpoints are the efficacy and safety of the implantation procedure. All implantation procedures will be performed by trainees under the supervision of expert cardiologists.

Results

The results of this study are currently under investigation.

Conclusion

This will be the first clinical trial to compare the efficacy and safety of the catheter delivery system and the stylet delivery system during the implantation of the ventricular lead in pacemaker implantation. Our findings are expected to improve the lead implantation procedure by providing information about which delivery system to choose in which situation.
Using hybrid weighting‐clustering approach for regional frequency analysis of maximum 24‐hr rainfall based on climatic, geographical, and statistical attributes
Authors: Fathian Farshad , Dehghan Zohreh
Published: March 2019

Estimation of extreme rainfall amounts has great importance, especially in some fields such as the design of water structures, water resources engineering, extreme flood management, and soil erosion conservation. One of the problems, which hydrologists faced, is an acceptable estimation of extreme events in areas with insufficient data. In this case, separation of the study area into homogenous regions and performing regional frequency analysis (RFA) result in greater precision and fewer errors in frequency analysis models, enabling estimation of quantiles for each return period in the region of interest. In this study, the maximum 24‐hr rainfall data related to Lake Urmia Basin (LUB) for 63 selected stations during the period of 1979–2008 are used. Moreover, determining an appropriate weight for each group of attributes is attempted according to the degree of importance and contribution share of each climatic, geographical, and statistical attribute. Then, for regionalization using a clustering approach, the attributes are defined in seven different groups. Subsequently, the performance of different groups associated with weighted attributes of maximum 24‐hr rainfall is evaluated for RFA in the study area. The results showed that the combination of climatic, geographical, and statistical attributes present better results and more reliable estimates of extreme values. The results indicated better performance of weighted models to the attributes compared to non‐weighted frequency analysis models in the estimation of maximum 24‐hr rainfall. The results also showed that by evaluating three to four groups and applying average weights of 0.3–0.85 for the attributes through the use of hybrid weighting‐clustering approach, more accurate estimates of extreme values for different return periods can be obtained.
Why do surgeons schedule their own surgeries?
Authors: Johnston David , Diamant Adam , Quereshy Fayez
Published: March 2019

Surgery is a knowledge intensive, high‐risk professional service. Most hospitals give surgeons considerable autonomy in deciding which patients to operate on and when. In theory, this allows surgeons the operational flexibility to prioritize surgeries based on intimate knowledge of their patient's clinical needs. At odds with this strategy is the operations management literature, which favors the standardization and centralization of scheduling focused on achieving the efficient use of all resources, such as operating room capacity. Unfortunately, a little is known as to how surgeons customize their schedules and why they value such control. To this end, we conduct an exploratory qualitative study of the scheduling behavior of surgeons at a large Canadian teaching hospital. We identify significant differences between surgeons as to their priorities when scheduling. Two constructs are formative in surgeon decision‐making: the timeliness of treatment for their patients and idiosyncratic personal priorities. Our work has implications for achieving surgeon support for initiatives to standardize and centralize routines for patient scheduling. Accordingly, we formulate propositions that address the conditions under which such efforts will achieve the desired balance between flexibility and efficiency.
Experimental Investigation into the Screening of New Surfactant Flowback Aids and Statistical Interpretation of Their Imbibing Capacity for Selected Core Substrates
Authors: Khamatnurova Tatyana , Henkel Kristina , Ke Linping , Brown Michele , Holtsclaw Jeremy
Published: March 2019

Spontaneous imbibition is a pervasive part of many natural and industrial processes. As an inherent feature of fluid transport in porous media, it is a driver for oil recovery. Understanding spontaneous imbibition and leveraging surface science is fundamental for fluid recovery; specifically, the role of the surfactant in the imbibition processes and the potential to alter capillarity and wettability of reservoir rock. Surfactant success relies on the understanding of the factors governing the interfacial phenomena among crude oil, and formation properties under reservoir conditions. Developing a methodology coupling chemical performance with analytical techniques, and statistical interpretation of core/surfactant/oil interactions, can help establish workflows to advance new chemistries and enhance oil recovery. This article discusses a study of flowback aids formulated as microemulsions corresponding to the thermodynamically stable Winsor Type IV solutions. Neat formulated microemulsions, when dosed at field treatment concentrations, provide either oil‐in‐water droplet microemulsions or nanoemulsions. The solvency potential was measured, and the Kauri‐butanol (Kb) value was determined. Parameters such as critical micelle concentration (CMC) and interfacial tension (IFT) were determined to characterize microemulsion solutions. These systems were tested using either in the column flow test with formation material sieved to match mineral grain size, or sandstone cores of various permeabilities. The results indicate that surfactant‐based flow‐enhancing aids are desirable for improved oil recovery when compared to the control fluid. The statistical analysis of core‐fluid interaction includes an ANOVA followed by assumption evaluations and model interpretation, which demonstrates that the core permeability term, followed by the surfactant term, has the highest contribution whereas oil has no statistical significance to the model.
Optimizing genetic algorithm–partial least squares model of soluble solids content in Fukumoto navel orange based on visible–near‐infrared transmittance spectroscopy using discrete wavelet transform
Authors: Song Jie , Li Guanglin , Yang Xiaodong
Published: March 2019

BACKGROUND

The thick rind of Fukumoto navel orange is a great barrier to light penetration, which makes it difficult to evaluate the internal quality of Fukumoto navel orange accurately by visible–near‐infrared (Vis‐NIR) transmittance spectroscopy. The information carried by the transmission spectrum is limited. Thus, the application of genetic algorithm (GA) for variable selection may not reach the expected results, and selected variables may contain redundancy. In this paper, we present the use of discrete wavelet transforms for optimizing a GA–partial least squares (PLS) model based on Vis‐NIR transmission spectra of Fukumoto navel orange. Haar, Db, Sym, Coif and Bior wavelets were used to compress the spectral data selected by GA. Then a PLS model was established based on the variables compressed by each wavelet function.

RESULTS

The use of Db4, Sym4, Coif2 and Bior3.5 succeeded in further simplification of the GA‐PLS model by reducing the number of variables by 40–44% without decreasing the prediction accuracy. The application of Bior3.5 not only could reduce the number of variables in the GA‐PLS model by 40%, but also increase the value of correlation coefficient of prediction by 1% and decrease the value of root mean square error of prediction by 3%.

CONCLUSIONS

The results indicated that the combination of GA and discrete wavelet transforms for variable selection in the internal quality assessment of Fukumoto navel orange by Vis‐NIR transmittance spectroscopy was feasible. © 2019 Society of Chemical Industry
When self‐customization backfires: The role of a maximizing mindset
Authors: Nardini Gia , Sela Aner
Published: March 2019

Self‐customization in online shopping contexts readily offers an abundance of options for consumers. However, the sheer amount of information can quickly become overwhelming. One way to give people the freedom to choose without overwhelming them with information is to simplify the decision process by breaking it down into a series of smaller steps. Contrary to a common assumption that simpler decisions increase choice likelihood, however, this study demonstrates that a simple by‐attribute self‐customization process may activate a maximizing mindset, which increases people's desire to find better options and decreases their satisfaction with the ones available. Consequently, simplifying the self‐customization process can sometimes backfire by decreasing choice likelihood. Three studies suggest that although by‐attribute self‐customization formats are easier to choose from, compared with more complex matrix formats, they may sometimes—paradoxically—increase choice deferral. The findings suggest that a maximizing mindset mediates this effect, casting doubt on information‐based alternative explanations. The findings also suggest that whether by‐attribute self‐customization increases or decreases choice likelihood may depend on the presence of objective quality cues, which indicate that an objectively‐best option can be found. This study furthers the understanding of how decision difficulty and maximizing influence self‐customization decisions.
Metabolic comparison of aerial and submerged mycelia formed in the liquid surface culture of Cordyceps militaris
Authors: Suparmin Ahmad , Kato Tatsuya , Takemoto Hiroyuki , Park Enoch Y.
Published: March 2019

An entomopathogenic fungus, Cordyceps sp. has been known to produce cordycepin which is a purine nucleoside antimetabolite and antibiotic with potential anticancer, antioxidant and anti‐inflammatory activities. Interestingly, Cordyceps militaris produces significantly higher amount in a liquid surface culture than in a submerged culture. The liquid surface culture consists of mycelia growing into the air (aerial mycelia) and mycelia growing toward the bottom into the medium (submerged mycelia). In this study, to clarify roles of aerial and submerged mycelia of C. militaris in the cordycepin production the difference in metabolism between these mycelia was investigated. From transcriptomic analyses of the aerial and submerged mycelia at the culture of 5, 12 and 19 days, the metabolism of the submerged mycelia switched from the oxidative phosphorylation to the fermentation pathway. This activated the pentose phosphate pathway to provide building block materials for the nucleotide biosynthetic pathway. Under hypoxic conditions, the 5‐aminolevulinic acid synthase (CCM_01504), delta‐aminolevulinic acid dehydratase (CCM_00935), coproporphyrinogen III oxidase (CCM_07483) and cytochrome c oxidase 15 (CCM_05057) genes of heme biosynthesis were significantly upregulated. In addition, the liquid surface culture revealed that metabolite coproporhyrinogen III and glycine, the product and precursor of heme, were increased at 12th day and decreased at 19th day, respectively. These results indicate that the submerged mycelia induce the activation of iron acquisition, the ergosterol biosynthetic pathway, and the iron cluster genes of cordycepin biosynthesis in a hypoxic condition. Even though, the expression of the cluster genes of cordycepin biosynthesis was not significantly different in both types of mycelia.