bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical Investigation of Optical and Nonlinear Optical (NLO) Properties of 3‐Azabenzanthrone Analogues : DFT and TD‐DFT Approach.
Authors: Lokhande Prerana K M. , Patil Dinesh S. , Kadam Mayuri M , Sekar Nagaiyan
Published: September 2019

3‐Azabenzanthrone based chromophores are investigated to study the effect of different substituents on optical and “non‐linear optical (NLO)” properties by means of density functional theory (DFT) with global hybrid functionals (GHs) ‐ B3LYP and BHandHLYP, range separated hybrid functionals (RSHs) CAM−B3LYP, wB97, wB97X, wB97XD and the basis sets 6–31+G(d), cc‐pVDZ, and cc‐pVTZ. It is observed that the incorporation of an electron withdrawing group at the 1 position and an electron donating group at the 2 and 6 positions of 3‐azabenzanthrone system led to more red shifted absorption maxima and showed better NLO response. Molecule 3 with electron withdrawing ‐CN at the 1 position exhibited the highest absorption wavelength (λ= 590 nm). The geometries, dipole moments, HOMO‐LUMO energy gaps, total hyperpolarizability are calculated to investigate the effect of different substituents on the photophysical and NLO properties of 3‐azabenzanthrone based chromophores. The insertion of ‐CN group at the 1 position of 3‐azabenzanthrone system resulted in higher first order hyperpolarizability (β0). The β0 values of 3, 5, 6 and 12 are found to be the maximum among other remaining molecules as the “Bond Length Alternation (BLA)” and “Bond Order Alternation (BOA)” parameters tend to zero. The charge transfer (CT) properties of these analogues are established using molecular electrostatic potential (MEP) analysis and quinoidal character at the same level of theory.
Unravelling the Weak Interactions in Binary Clusters of Serotonin and Amino Acid Residues
Authors: Yang Mengzhou , Huang Dajiang , Wu Haiming , Zhang Hanyu , An Pan , Yuan Chengqian , Su Peifeng , Luo Zhixun
Published: September 2019

As a monoamine neurotransmitter, serotonin affects a wide range of physiological and behavioral procedures of humans but its biological function is complex and multifaceted. Here we present a comprehensive study of the weak serotonin‐residue interactions from cluster science point of view. Eight pairs of serotonin‐residue binary clusters are representatively studied. Upon the most stable structures we depict the hydrogen bonding interaction patterns, along with natural bond orbital (NBO) analysis, atoms in molecules (AIM) analysis, generalized Kohn‐Sham energy decomposition analysis (GKS‐EDA), as well as noncovalent interaction plots based on independent gradient model (IGM). It is found that, for nitrogenous residues, the N⋅⋅⋅H−O dominates the noncovalent interactions; while for hydroxyl‐containing residues, O−H⋅⋅⋅N takes over the dominant interactions; for oxygen and nitrogen‐free residues, both electrostatic and VDW‐like H‐bonds stabilize the binary clusters. This information enriches the molecular mechanism of serotonin receptors and paves a way to study the weak interactions of physiological‐active molecules and also supramolecular materials.
Synthesis of Nano‐Hierarchical Ferrierite with Sole Template and Its Catalytic Application in n‐Butene Skeletal Isomerization
Authors: Liu Wen , Hu Haiqiang , Ke Ming , Liu Yang , Zhang Lei , Xia Chengjie , Wang Qi
Published: September 2019

Nano‐hierarchical ferrierite(FER) was successfully synthesized by using pyrrolidine as sole organic structure directing(OSDA) agent under static hydrothermal conditions.SEM images showed that the morphology of the product was a loose three‐stage accumulation structure by nano‐rod crystal grains .The influence of crystallization temperature, gel alkalinity, crystallization time and the amount of OSDA on synthesis of FER was investigated in detail.Moreover,FER catalytic performance in n‐butene skeletal isomerizatio was investigated.The results showed that, compared with the commercial FER, the nano‐hierarchical FER showed better catalytic activity.
Mechanical properties of mixed steel fiber reinforced concrete with the combination of micro and macro steel fibers
Authors: Dhanapal Jegatheeswaran , Jeyaprakash Sridhar
Published: September 2019

The paper intends to analyze and study the features of steel fiber reinforced concrete (SFRC) and plain concrete that contains combined fibers of various aspect ratios. Experiments on works are held to examine the features of the new combination of concretes. Simultaneously, the characteristics of the concretes that are hardened are examined by performing tests on compressions, flexural strength tests, and split tensile strength (STS). It further verifies the effects of fibers when they are distributed in the hinged zone of structural components to obtain financial benefits by minimizing the ingredients in steel fiber in the concrete mix. The result shows that the combined reinforced concrete steel fiber can be employed as the better combination to be applied in SFRC for achieving strength in STS, and flexure. Anyhow, enhanced ability for working was achieved as more amounts of microfibers in mixed with concrete. And there is slight variation in the features of concrete between beam of fibers with full length and fibers which are available in hinged zone. Similarly, the categorization of neural network such as Neural Network–Levenberg–Marquardt (NN‐LM) and Neural Network‐Gradient Descent (NN‐GD) is further used to perform the experimentation in an intelligent manner, which comes close to the actual values while calculating the mean absolute error (MAE) and root mean square error (RMSE) values.
The nomenclature and application of the names Euphorbia candelabrum Welw. and Euphorbia ingens in tropical Africa
Authors: Bruyns Peter V. , Berry Paul E.
Published: September 2019

During the last 40 years, one of the most widespread and conspicuous succulent trees in East and north‐east Africa has been referred to as Euphorbia candelabrum Kotschy or as E. candelabrum Trémaux ex Kotschy. This name is a later homonym of E. candelabrum Welw., and consequently it is illegitimate. The species to which the name E. candelabrum Kotschy has been widely applied is shown to be conspecific with E. ingens, which occurs from southern Ethiopia to subtropical South Africa.
Superior relation‐based firefly algorithm for superior solution set search problem
Authors: Wang Hongran , Fukushima Ryu , Tamura Kenichi , Tsuchiya Jun‐ichi , Yasuda Keiichiro
Published: September 2019

In this paper, we analyze the properties of the superior solution set search (SSSS) problem and point out the structural similarities between it and the multiobjective optimization problem. Based on the analyzed properties, we propose a new Firefly algorithm (FA) based on superior relations, which can search for the superior solution set by using the user's quantitative desire level as a search strategy. By introducing the distance of the problem space into the moving mechanism, FA makes it possible to search for multiple local optimal solutions by dividing the solution set into multiple groups. By analyzing this property of FA, we clarify the affinity between FA and the SSSS problem. We subsequently analyze the SSSS problem and FA, and discuss their properties together in a similar problem setting. We propose an FA based on superior relations as a new optimization technique for the superior solution set problem based on these analyses. Numerical experiments are then conducted using the SSSS problem and demonstrate the usefulness of the proposed method by comparing the performance of the proposed method with the conventional FA. © 2019 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
The Chronus Quantum software package
Authors: Williams‐Young David B. , Petrone Alessio , Sun Shichao , Stetina Torin F. , Lestrange Patrick , Hoyer Chad E. , Nascimento Daniel R. , Koulias Lauren , Wildman Andrew , Kasper Joseph , Goings Joshua J. , Ding Feizhi , DePrince A. Eugene , Valeev Edward F. , Li Xiaosong
Published: September 2019

The Chronus Quantum (ChronusQ) software package is an open source (under the GNU General Public License v2) software infrastructure which targets the solution of challenging problems that arise in ab initio electronic structure theory. Special emphasis is placed on the consistent treatment of time dependence and spin in the electronic wave function, as well as the inclusion of relativistic effects in said treatments. In addition, ChronusQ provides support for the inclusion of uniform finite magnetic fields as external perturbations through the use of gauge‐including atomic orbitals. ChronusQ is a parallel electronic structure code written in modern C++ which utilizes both message passing implementation and shared memory (OpenMP) parallelism. In addition to the examination of the current state of code base itself, a discussion regarding ongoing developments and developer contributions will also be provided.

This article is categorized under:

Software > Quantum Chemistry

Electronic Structure Theory > Ab Initio Electronic Structure Methods

Electronic Structure Theory > Density Functional Theory
Enacting a National Reform Interval in Times of Uncertainty: Evaluation Gluttony Among the Willing
Authors: Lindgren Joakim , Rönnberg Linda , Hult Agneta , Segerholm Christina
Published: September 2019

This chapter offers an empirical illustration of the governing-evaluation-knowledge nexus by pinpointing a particular situation, a pause between two national evaluation and quality assurance (EQA) reforms, while a new national system was being planned and prepared, but its final design was not yet decided upon. This situation – unusual in the Swedish higher education policy context – adds uncertainty to the situation and opens a potential space for policymakers and higher education institutions (HEIs) to navigate. We draw on interviews and documents collected from four HEIs during this reform interval. We analyse and discuss how the four institutions navigate, coordinate, mobilise, copy, and learn in a situation without a formal national EQA system in place but in which the wider higher education policy context is deeply infused with contemporary trends and international policies and ideas on quality assurance (QA). We found that context and institutional preconditions set their mark on the work undertaken during this interval. We also discerned tendencies of homogenisation and isomorphism. Finally, we highlight the tendency of further expansion of EQA activities.
Relaunching National Evaluation and Quality Assurance: Governing by Piloting
Authors: Lindgren Joakim , Rönnberg Linda , Hult Agneta , Segerholm Christina
Published: September 2019

This chapter seeks to explore and discuss enactments in the process of piloting a part of the 2016 national evaluation and quality assurance system, namely, the pilot of institutional reviews in which higher education institutions’ internal quality assurance systems were evaluated by the Swedish Higher Education Authority. The chapter analyses the work and experiences of the different actors that took part in these processes. It shows that the pilot includes extensive work that links people, places, policies, practices, and power in particular ways and that numerous translations are made at different stages and by different actors. The results highlight the amount and forms of work done in these processes in general and in particular by actors who we have labelled “qualocrats”. Their embodied form of expertise is mobilised as they move between and across different domains to enact and promote certain knowledge in and of evaluation and quality assurance. The chapter finally suggests that the deliberate temporal design as a pilot study opened up for mutual adjustments, learning, and dialogue but also gave rise to contradictory anticipatory governing signals.
Neural Network Guided Tree-Search Policies for Synthesis Planning
Authors: Thakkar Amol , Bjerrum Esben Jannik , Engkvist Ola , Reymond Jean-Louis
Published: September 2019

Developments and accessibility of computational methods within machine learning and deep learning have led to the resurgence of methods for computer assisted synthesis planning (CASP). In this paper we introduce our viewpoints on the analysis of reaction data, model building and evaluation. We show how the models’ performance is affected by the specificity of the extracted reaction rules (templates) and outline the direction of research within our group.
Progressive Docking - Deep Learning Based Approach for Accelerated Virtual Screening
Authors: Agrawal Vibudh , Gentile Francesco , Hsing Michael , Ban Fuqiang , Cherkasov Artem
Published: September 2019

We have developed a novel, hybrid QSAR-docking approach (called ‘progressive docking’) that can speed up the process of virtual screening by enhancing it with Deep Learning models trained on-the-go on produced docking scores. The developed method can, therefore, predict docking outcome for yet unprocessed molecular entries and hence to progressively remove unfavorable chemical structures from the remaining docking base. This approach provides 50–100X speed increase for the standard docking procedures while retaining >90% of qualified molecules. We demonstrate that the use of PD allows processing of about 360 million molecules just in 2 weeks using a standard 200 CPU setup.
Attention and Edge Memory Convolution for Bioactivity Prediction
Authors: Withnall Michael , Lindelöf Edvard , Engkvist Ola , Chen Hongming
Published: September 2019

We present some augmentations to literature Message Passing Neural Network (MPNN) architectures and benchmark their performances against a wide range of chemically and pharmaceutically relevant datasets. We analyse the effects of activation function for regularisation, we propose a new graph attention mechanism, and we implement a new edge-based memory system that should maximise the effectiveness of hidden state usage by directing and isolating information flow around the graph. We compare our results to the MolNet [14] benchmarking paper results on graph-based techniques, and also investigate the effect of method performance as a function of dataset preprocessing.
Using an Autoencoder for Dimensionality Reduction in Quantum Dynamics
Authors: Reiter Sebastian , Schnappinger Thomas , de Vivie-Riedle Regina
Published: September 2019

A key step in performing quantum dynamics for a chemical system is the reduction of dimensionality to allow a numerical treatment. Here, we introduce a machine learning approach for the (semi)automatic construction of reactive coordinates. After generating a meaningful data set from trajectory calculations, we train an autoencoder to find a low-dimensional set of non-linear coordinates for use in molecular quantum dynamics. We compare the wave packet dynamics of proton transfer reactions in both linear and non-linear coordinate spaces and find significant improvement for physical properties like reaction timescales.
Prediction of the Atomization Energy of Molecules Using Coulomb Matrix and Atomic Composition in a Bayesian Regularized Neural Networks
Authors: Tchagang Alain B. , Valdés Julio J.
Published: September 2019

Exact calculation of electronic properties of molecules is a fundamental step for intelligent and rational compounds and materials design. The intrinsically graph-like and non-vectorial nature of molecular data generates a unique and challenging machine learning problem. In this paper we embrace a learning from scratch approach where the quantum mechanical electronic properties of molecules are predicted directly from the raw molecular geometry, similar to some recent works. But, unlike these previous endeavors, our study suggests a benefit from combining molecular geometry embedded in the Coulomb matrix with the atomic composition of molecules. Using the new combined features in a Bayesian regularized neural networks, our results improve well-known results from the literature on the QM7 dataset from a mean absolute error of 3.51 kcal/mol down to 3.0 kcal/mol.
Augmentation Is What You Need!
Authors: Tetko Igor V. , Karpov Pavel , Bruno Eric , Kimber Talia B. , Godin Guillaume
Published: September 2019

We investigate the effect of augmentation of SMILES to increase the performance of convolutional neural network models by extending the results of our previous study [1] to new methods and augmentation scenarios. We demonstrate that augmentation significantly increases performance and this effect is consistent across investigated methods. The convolutional neural network models developed with augmented data on average provided better performances compared to those developed using calculated molecular descriptors for both regression and classification tasks.
Noncommutative gauge theories on D-branes in non-geometric backgrounds
Authors: Hull Chris , Szabo Richard J.
Published: September 2019

Abstract

We investigate the noncommutative gauge theories arising on the worldvolumes of D-branes in non-geometric backgrounds obtained by T-duality from twisted tori. We revisit the low-energy effective description of D-branes on three-dimensional T-folds, examining both cases of parabolic and elliptic twists in detail. We give a detailed description of the decoupling limits and explore various physical consequences of the open string non-geometry. The T-duality monodromies of the non-geometric backgrounds lead to Morita duality monodromies of the noncommutative Yang-Mills theories induced on the D-branes. While the parabolic twists recover the well-known examples of noncommutative principal torus bundles from topological T-duality, the elliptic twists give new examples of noncommutative fibrations with non-geometric torus fibres. We extend these considerations to D-branes in backgrounds with R-flux, using the doubled geometry formulation, finding that both the non-geometric background and the D-brane gauge theory necessarily have explicit dependence on the dual coordinates, and so have no conventional formulation in spacetime.
Psychosocial working conditions and depressive disorder: disentangling effects of job control from socioeconomic status using a life-course approach
Authors: Svane-Petersen Annemette Coop , Holm Anders , Burr Hermann , Framke Elisabeth , Melchior Maria , Rod Naja Hulvej , Sivertsen Børge , Stansfeld Stephen , Sørensen Jeppe Karl , Virtanen Marianna , Rugulies Reiner , Madsen Ida E. H.
Published: September 2019

Purpose

Job control, the combination of skill discretion and decision authority, is considered a central component of the psychosocial working environment. This longitudinal study examines the relation between job control and risk of incident depressive disorder using a life-course approach.

Methods

We analyze data from The Danish Work Life Course Cohort study, including all Danish individuals aged 15–30 who entered the Danish labor market during 1995–2009 and were free from depressive disorder at entry (955,573 individuals). We measured job control using a job exposure matrix. Depressive disorders were measured using information from nationwide registers of psychiatric in- and outpatient admissions. Using Cox regression models we estimated the prospective association between job control and risk of incident depressive disorders. Analyses accounted for a range of potential confounders prior to workforce entry including socioeconomic status in adolescence and parental psychiatric and somatic diagnoses prior to labor market entry, together with potential confounders in adulthood including income, education, and demographics.

Results

Lower levels of past year job control were associated with a higher risk of depressive disorder after adjustment for all covariates (HR = 1.27, 95% CI 1.16–1.38). Results stratified by gender showed associations for both men (HR = 1.38, 95% CI 1.19–1.61) and women (HR = 1.19, 95% CI 1.08–1.32). Conclusions: Our findings suggest that the level of job control at work affects the risk of clinically diagnosed depressive disorder, and that this association is not due to confounding by socioeconomic status.
Zur Problematik der realistischen Beurteilung und Quantifizierung der Materialparameter für numerische Simulationen
Authors: Ladinig Tobias
Published: September 2019

Numerische Simulationen finden eine breite Anwendung in der gebirgsmechanischen Planung. Kritisch für die Aussagekraft des Ergebnisses ist die Qualität der Eingangsparameter. Die Materialparameter von Gebirge nehmen dabei eine besondere Stellung ein, weil die Erfassung und Beurteilung der Gebirgseigenschaften im Allgemeinen nicht ohne Annahmen und Abschätzungen möglich ist. Daraus folgt, dass die Materialparameter des Gebirges Unsicherheiten und Streubreiten aufweisen. Dieser Umstand wird anhand von einfachen und praktischen Beispielen diskutiert. Abschließend werden Möglichkeiten zum Umgang mit diesen Unsicherheiten besprochen. Diese sind Erfahrung aus dem fortschreitenden Abbau, das Prinzip der kontinuierlichen Planung und das Ausweisen einer Versagenswahrscheinlichkeit.
A Functional Approach to Vertical Turbulent Transport of Scalars in the Atmospheric Surface Layer
Authors: Clement Robert J. , Moncrieff John B.
Published: September 2019

Eddy covariance has been the de facto method of analyzing scalar turbulent transport data. To refine the information available from these data, we derive a simplified version of the turbulent scalar-transport equation for the surface layer, which employs a more explicit form of signal decomposition and dispenses with Reynolds averaging in favour of an averaging operator based on the relevant scalar-flux driving variables. The resulting method, termed functional covariance, provides five areas of improvement in flux estimation: (i) Better representation of surface fluxes through closer correspondence of turbulent exchange with variations in the driving variables. (ii) An approximate 25% reduction in flux uncertainty resulting from improved independence of turbulent-flux samples. (iii) Improved data retention through less onerous quality control (stationarity) testing. (iv) Improved estimation of low-frequency flux contributions through reduced uncertainty and avoidance of driving-variable nonstationarity. (v) Potential elimination of flux-storage estimation when state driving-variables are used to define the functional-covariance flux averaging. We describe the important considerations required for application of functional covariance, apply both functional- and eddy-covariance methods to an example dataset, compare the resulting eddy- and functional-covariance estimates, and demonstrate the aforementioned benefits of functional covariance.
Trace elements geochemistry in high-incidence areas of liver-related diseases, northwestern Ethiopia
Authors: Ahmed Jemal
Published: September 2019

This paper reports the results of trace elements geochemistry from Tigray national state, northwestern Ethiopia. The area is part of the Arabian-Nubian Shield, where the dominant exposure is low-grade metamorphic rocks and has a long history of liver-related diseases. The increase in the number of liver-related disease patients of the area has been an environmental health issue of national concern. The aim of the study is to determine the level of trace element concentrations and distributions in water and stream sediments of the area and identify the possible sources in relation to human health. Water, stream sediment and rocks samples (20 water, 20 stream sediments, and 6 rock samples) were collected in March 2011 and analyzed for major and trace element contents using ICP-MS, ICP-OES, ion Chromatography, and XRF methods. Bromine, aluminum, fluorine, arsenic, and nitrate values exceed the WHO maximum acceptable concentration (MAC) for drinking purpose. Bromine ranges from 0.11 to 1.48 mg/l show higher values in all samples, and fluorine ranges from 0.21 to 16.49 mg/l show higher values in 20% of the samples. Other trace elements are aluminum—30%, arsenic—10%, and nitrate (NO3)—10%, and they are examples of elements which have above MAC for drinking water. Selenium deficiency may be the other problematic element in the area for which its deficiency is associated with liver damage and heart muscle disorder. The concentration of cobalt and chromium exceeded world geochemical background value in average shale at most sample stations indicated that these stations were in potential risk.
Estimation of heterosis for yield-related traits for single cross and three-way cross hybrids of oilseed rape (Brassica napus L.)
Authors: Wolko Joanna , Dobrzycka Agnieszka , Bocianowski Jan , Bartkowiak-Broda Iwona
Published: September 2019

Rapeseed breeding programs are focused mainly on improving plant potential and seed yield. One of the ways to improve seed yield in oilseed rape is heterosis, which is hybrid vigor that results in a greater biomass, increased seed yield, and faster development. The purpose of this study was to estimate yield-related trait heterosis for single cross and three-way cross hybrids of winter oilseed rape (Brassica napus L.). A population of 60 doubled-haploid (DH) lines and two generations of hybrids were evaluated in field trials to assess six yield-related traits: plant height, number of branches per plant, number of siliques per plant, silique length, number of seeds per silique, and thousand seed weight. Heterosis effects for each trait were estimated by a comparison of the particular hybrid with: (1) the trait mean over both parents—mid-parent heterosis and (2) to the value of better parent—best-parent heterosis. Traits with clear positive heterosis and traits with varied heterosis were observed in this study. For the first group, we include plant height, silique length, and the number of seeds per silique—a large number of hybrids expressed significant positive heterosis for these traits, independent from the year of observations and the type of hybrid. For the second group, with varied heterosis, we can include the number of branches and siliques per plant and thousand seed weight. For these traits, hybrids exhibited both positive and negative significant heterosis, without a clear pattern for the years and types of hybrids.
The Segregation of Opportunity: Social and Financial Resources in the Educational Contexts of Lower- and Higher-Income Children, 1990–2014
Authors: Bischoff Kendra , Owens Ann
Published: September 2019

This article provides a rich longitudinal portrait of the financial and social resources available in the school districts of high- and low-income students in the United States from 1990 to 2014. Combining multiple publicly available data sources for most school districts in the United States, we document levels and gaps in school district financial resources—total per-pupil expenditures—and social resources—local rates of adult educational attainment, family structure, and adult unemployment—available to the average public school student at a variety of income levels over time. In addition to using eligibility for the National School Lunch Program as a blunt measure of student income, we estimate resource inequalities between income deciles to analyze resource gaps between affluent and poor children. We then examine the relationship between income segregation and resource gaps between the school districts of high- and low-income children. In previous work, the social context of schooling has been a theoretical but unmeasured mechanism through which income segregation may operate to create unequal opportunities for children. Our results show large and, in some cases, growing social resource gaps in the districts of high- and low-income students nationally and provide evidence that these gaps are exacerbated by income segregation. Conversely, per-pupil funding became more compensatory between high- and low-income students’ school districts over this period, especially in highly segregated states. However, there are early signs of reversal in this trend. The results provide evidence that school finance reforms have been somewhat effective in reducing the consequences of income segregation on funding inequities, while inequalities in the social context of schooling continue to grow.
Assessing the duality of thermal performance and energy efficiency of residential buildings in hot arid climate of Laghouat, Algeria
Authors: Bencheikh Darda , Bederina Madani
Published: September 2019

Thermal comfort is the main driver of buildings energy consumption; it has been classified by building occupants to be of greater importance compared with visual and acoustic comfort. To respond correctly and quickly to the increase in energy price and pollution, thermal regulations and comfort approaches have emerged. This paper compares the thermal performances and energy demand of a vernacular and a low-income modern dwelling using two major thermal comfort approaches (Givoni’s approach and adaptive thermal comfort recommended by The American Society of Heating, Refrigerating and Air-Conditioning Engineers in ASHRAE standards 55-2010) and the energy professional’s method presented in the French Thermal Regulations RT2012. It shows the effectiveness of bioclimatic and passive strategies in reducing energy demand, increasing the thermal comfort level for the buildings, and therefore reducing greenhouse emissions. The results show that the vernacular house was comfortable during the warm day, which approved a 100% cooling energy efficiency (the thermal comfort has been achieved in a passive way), contrary to the contemporary dwelling, in which the use of air-conditioning modern systems was essential to meet the occupant needs in terms of thermal comfort. The difference between the houses’ energy performances was estimated, including a 39% reduction in energy demand.
A review of energy-efficient scheduling in intelligent production systems
Authors: Gao Kaizhou , Huang Yun , Sadollah Ali , Wang Ling
Published: September 2019

Recently, many manufacturing enterprises pay closer attention to energy efficiency due to increasing energy cost and environmental awareness. Energy-efficient scheduling of production systems is an effective way to improve energy efficiency and to reduce energy cost. During the past 10 years, a large amount of literature has been published about energy-efficient scheduling, in which more than 50% employed swarm intelligence and evolutionary algorithms to solve the complex scheduling problems. This paper aims to provide a comprehensive literature review of production scheduling for intelligent manufacturing systems with the energy-related constraints and objectives. The main goals are to summarize, analyze, discuss, and synthesize the existing achievements, current research status, and ongoing studies, and to give useful insight into future research, especially intelligent strategies for solving the energy-efficient scheduling problems. The scope of this review is focused on the journal publications of the Web of Science database. The energy efficiency-related publications are classified and analyzed according to five criteria. Then, the research trends of energy efficiency are discussed. Finally, some directions are pointed out for future studies.
Safety and Tolerability of Evening Ethanol Consumption and Bedtime Administration of Flibanserin in Healthy Premenopausal Female Subjects
Authors: Millheiser Leah , Clayton Anita H. , Parish Sharon J. , Kingsberg Sheryl A. , Kim Noel N. , Simon James A.
Published: September 2019

Introduction

Flibanserin, a treatment for hypoactive sexual desire disorder, carries warnings for increased risk of severe hypotension and syncope when used with alcohol. However, these warnings are not informed by studies that used flibanserin’s recommended bedtime dosing because previous alcohol studies assessed flibanserin’s safety during the day.

Aim

The aim of this study was to assess the effects of ethanol in a real-world context in premenopausal women taking flibanserin at bedtime.

Methods

In a randomized, placebo-controlled, double-blind study, 24 healthy premenopausal women (mean age = 34.5 ± 9.9 years; mean body mass index = 25.2 ± 3.4 kg/m2) were dosed with flibanserin or placebo for 3 days to achieve steady-state plasma levels. In a clinical research unit, subjects (n = 22) were provided 2 units of wine (150 mL/unit; 12% ethanol content) or a nonalcoholic beverage with a standardized 3-course evening meal. Flibanserin 100 mg or placebo was administered at bedtime 2.5 hours after the end of the evening meal. On a separate day, subjects were provided the alternative beverage (± alcohol) with the same evening meal and dosed with the same treatment (flibanserin or placebo) at bedtime. After a 5-day washout period, subjects crossed over to the other treatment arm and the protocol was repeated.

Main Outcome Measure

Adverse events (AEs) and vital signs were monitored.

Results

In the absence of ethanol, headaches and hypotension were the only AEs that occurred in ≥2 subjects after flibanserin dosing (placebo corrected rates were 17.4% and 8.7%, respectively). After ethanol consumption, the rate of hypotension after flibanserin dosing was no greater than with flibanserin or placebo after nonalcoholic beverage consumption. There were no instances of orthostatic hypotension or syncope and no serious AEs or AEs leading to study discontinuation.

Conclusion

Flibanserin dosed at bedtime after moderate amounts of alcohol with an evening meal was well-tolerated with no evidence of clinically significant hypotension or syncope.
Photoperiod Impact on a Sailor’s Sleep-Wake Rhythm and Core Body Temperature in Polar Environment
Authors: de Blasiis Kévin , Mauvieux Benoit , Elsworth-Edelsten Charlotte , Pezé Thierry , Jouffroy Romain , Hurdiel Rémy
Published: September 2019

Introduction

Studies have reported circadian desynchronizations and sleep disruptions in onshore populations in the Arctic during the polar day. Although the Arctic region is becoming more accessible by sea and evidence is growing to implicate the importance of fatigue in sailing accidents, no study related to circadian disruptions has focused on sailors. The aim of this study was to observe, during a 155-d polar sailing trip between Greenland and Russia, the evolution of the sleep-wake rhythm and core body temperature (Tc) in a sailor.

Methods

During the expedition, an electronic sleep diary was recorded daily and a continuous measurement of Tc using telemetric pills was performed every 10 d (recording depending on transit time, ≈24 h). Ephemerides were manually determined day by day using global positioning system position and revealed 3 phases (phase 1: decrease of night duration; phase 2: polar day; phase 3: increase of night duration).

Results

A significant difference ( P < 0.05) was observed in daily sleep time between phase 2 (7.6 ± 2.5 h) and phase 3 (8 ± 2 h). The period of Tc rhythm changed during the expedition (phase 1: 24.2 ± 0.5 h; phase 2: 25 ± 0.3 h; phase 3: 24 ± 0.6 h). Dissociation between Tc rhythm and sleep occurred during phase 2.

Conclusions

Our study observed that during a polar sailing expedition, many circadian disruptions appeared as free-running rhythms or dissociation between sleep and Tc rhythm. Future studies will evaluate effects of these disruptions and their probable association with accident risks.
Two rhetorical exercises on Ganymede in John Doxapatres’ Homiliae in Aphthonium
Authors: Gibson Craig A.
Published: September 2019

A pair of anonymous rhetorical exercises in Greek, dating perhaps to the eleventh century, contain a refutation and a confirmation of the myth of Ganymede, in which the young Trojan shepherd is abducted by Zeus in the form of an eagle to live with him in heaven. This article analyses the opposing arguments about divinity and sexuality in the two exercises, argues that they contain a unique aetiological account of the violet, and situates them in the reception history of Ganymede.
Paramilitarism, politics and organized crime during the Greek civil war (1945–1949)
Authors: Tsoutsoumpis Spyridon
Published: September 2019

The historiography of the Greek civil war has made significant progress during the past decade, but the origins, role and activities of paramilitaries remain under-researched. Most studies have focused on the period of the ‘white terror’ and explored the collusion between the state and the paramilitary groups. Although such studies have advanced our understanding of this turbulent period, they have not discussed important issues such as the motivation of the rank and file members, the sociopolitical networks used to recruit and mobilize support and the diverse conditions under which militias emerge. The article will address this lacuna and provide new insights into the origins, development and legacies of paramilitarism.
How dorsal fin sharpness affects swimming speed and economy
Authors: Zhong Qiang , Dong Haibo , Quinn Daniel B.
Published: September 2019

Multi-fin systems, like fish or fish-inspired vehicles, are governed by unsteady three-dimensional interactions between their multiple fins. In particular, dorsal/anal fins have received much attention because they are just upstream of the main thrust-producing fin: the caudal (tail) fin. We used a tuna-inspired fish model with variable fin sharpness to study the interaction between elongated dorsal/anal fins and caudal fins. We found that the performance enhancement is stronger than previously thought (15 % increase in swimming speed and 50 % increase in swimming economy) and is governed by a three-dimensional dorsal-fin-induced cross-flow that lowers the angle of attack on the caudal fin and promotes spanwise flow. Both simulations and multi-layer particle image velocimetry reveal that the cross-flow stabilizes the leading edge vortex on the caudal fin, similar to how wing strakes prevent stall during fixed-wing aircraft manoeuvres. Unlike other fin–fin interactions, this mechanism is phase-insensitive and offers a simple, passive solution for flow control over oscillating propulsors. Our results therefore improve our understanding of multi-fin flow interactions and suggest new insights into dorsal/anal fin shape and placement in fish and fish-inspired vehicles.
Union Busting as Development: Transnationalism, Empire and Kennedy's Secret Labour Programme for Bolivia
Authors: Field Thomas C.
Published: September 2019

Drawing on archives from the US labour movement, personal papers of transnational labour organisers, Bolivian oral histories and press reports, and government records from four countries, this article explores a web of Cold War relationships forged between Bolivian workers and US government and labour officials. Uncovering a panoply of parallel and sometimes conflicting state-supported trade union development programmes, the article reveals governments’ inability to fully control the exuberance of ideologically-motivated labour activists. Rather than succeed in shoring up a civilian government as intended, US President John F. Kennedy's union-busting programme aggravated fissures in Bolivia's non-Communist Left, ultimately frustrating its attempt to steer a non-aligned posture in Latin America's Cold War. Employing transnational methods to bridge gaps between labour, development and diplomatic history, this article points toward a new imperial studies approach to the multi-sited conflicts that shaped the post-war trajectory of labour movements in Bolivia and throughout the Third World.
Searching for Red Songs: The Politics of Revolutionary Nostalgia in Contemporary China
Authors: Li Shuanglong , Yan Fei
Published: September 2019

Applying a novel approach based on online query volume data, this study provides the first large-scale portrait of revolutionary nostalgia among the Chinese, undertaking an empirical analysis of how the aggregate level of nostalgia is shaped. For each Chinese province, we use the normalized frequency of searches for red songs on Baidu, the most widely used online search engine in China, to quantify the local level of nostalgia. We find that the evolving trends of nostalgia among the provinces are similar but stratified. The results from the dynamic panel data analysis using the Generalized Method of Moments indicate that revolutionary nostalgia is significantly affected by a set of socio-economic determinants, including GDP per capita, income inequality, social development, legal development and the degree of globalization.
The Other Point of Departure: Tocqueville, the South, Equality, and the Lessons of Democracy
Authors: Sparrow Bartholomew H.
Published: September 2019

Democracy in America has greatly influenced not only how political scientists think of democratic government, political equality, and liberalism in general, but also how we think of the United States as a whole. This article questions Tocqueville's interpretations of Americans’ habits and beliefs, given how little time Tocqueville actually spent in the South and the near West and given that he all but ignored the founding of Virginia and the other colonies not settled by the Puritans and for religious reasons. Contrary to Tocqueville's emphasis on the Puritan “point of departure,” I use historical evidence from the U.S. Census, state constitutions, and historical scholarship on slave ownership, tenant farming, political participation, and the American colonies and the early United States to show the existence of hierarchy among white Americans, rather than the ubiquitous social and political equality among European Americans described by Tocqueville. His writings actually indicate an awareness of another American culture in the South and near West—one that disregards education, condones coarse manners, tolerates aggressive behavior, and exhibits unrestrained greed—but Tocqueville does not integrate these observations into his larger conclusions about Americans’ mœurs and institutions. Because of the existence of these important, non-Puritan habits, the political institutions Tocqueville sees as facilitating democracy in America and hopes to apply to France and Europe may not have the effects he believes they will have.
Multistate outbreaks of Salmonella infections linked to imported Maradol papayas – United States, December 2016–September 2017
Authors: Hassan R. , Whitney B. , Williams D. L. , Holloman K. , Grady D. , Thomas D. , Omoregie E. , Lamba K. , Leeper M. , Gieraltowski L. ,   the Outbreak Investigation Team
Published: September 2019

Foodborne salmonellosis causes approximately 1 million illnesses annually in the United States. In the summer of 2017, we investigated four multistate outbreaks of Salmonella infections associated with Maradol papayas imported from four Mexican farms. PulseNet initially identified a cluster of Salmonella Kiambu infections in June 2017, and early interviews identified papayas as an exposure of interest. Investigators from Maryland, Virginia and Food and Drug Administration (FDA) collected papayas for testing. Several strains of Salmonella were isolated from papayas sourced from Mexican Farm A, including Salmonella Agona, Gaminara, Kiambu, Thompson and Senftenberg. Traceback from two points of service associated with illness sub-clusters in two states identified Farm A as a common source of papayas, and three voluntary recalls of Farm A papayas were issued. FDA sampling isolated four additional Salmonella strains from papayas sourced from Mexican Farms B, C and D. In total, four outbreaks were identified, resulting in 244 cases with illness onset dates from 20 December 2016 to 20 September 2017. The sampling of papayas and the collaborative work of investigative partners were instrumental in identifying the source of these outbreaks and preventing additional illnesses. Evaluating epidemiological, laboratory and traceback evidence together during investigations is critical to solving and stopping outbreaks.
Germination characteristics and phytotoxic inhibition of germination in Artemisia adamsii, a low-palatability weed in the Mongolian steppe
Authors: Kinugasa Toshihiko , Ishibashi Kyoko , Miyawaki Mami , Gantsetseg Batdelger
Published: September 2019

Artemisia adamsii is a weed with low palatability to livestock and is thus recognized as an indicator of rangeland degradation in Mongolia. We investigated the germination characteristics of this species, phytotoxic suppression of its germination by its own residue, and the applicability of such germination behaviour to the control of this species. We also discussed the ecological consequence of these factors regarding the vegetation dynamics of the Mongolian steppe. Germination of A. adamsii was tested at different light and temperature conditions. Germination was also tested for A. adamsii and four native grassland species in the presence or absence of A. adamsii residue. Germination of A. adamsii was light-demanding and temperature-dependent. Artemisia adamsii residue showed autotoxic but sub-fatal suppression of germination, and the chemicals causing that suppression were shown to be aqueous and volatile. Phytotoxicity of A. adamsii residue on the germination of grassland species was low, except for in Artemisia frigida. The applicability of the observed sub-fatal autotoxicity for controlling this species was likely to be low, but the elucidated germination characteristics could contribute to developing a strategy for controlling this species. The autotoxicity in A. adamsii germination was suggested to have an ecological consequence that mediates species transition from A. adamsii to other species in degraded land occupied by A. adamsii. As low-palatability A. adamsii can act as a nurse plant of palatable species under grazing conditions, the invasion of A. adamsii into disturbed grasslands may facilitate the recovery of such grasslands in terms of improving pasture quality.
A beneficial technique for preventing the device protrusion to the aorta during percutaneous patent ductus arteriosus closure: “Balloon-assisted device releasing technique”
Authors: Epçaçan Serdar , Bulut Mustafa Orhan , Yücel İlker Kemal , Çelebi Ahmet
Published: September 2019

Background:

Although percutaneous closure of patent ductus arteriosus is an established safe procedure, protrusion of the device to descending aorta may occur in various degrees during these procedures, especially in small infants. The aim of our study is to evaluate the benefits of balloon-assisted device releasing technique in the era of preventing device protrusion and conditions related to protrusion.

Methods:

One hundred and fifty-five infants, who underwent patent ductus arteriosus closure with Amplatzer duct occluder I device between January, 2012 and December, 2018, were retrospectively analysed. Balloon-assisted device releasing technique was used in 20 cases (group 1, 12.9%), between January, 2015 and December, 2018. Procedures in which the technique had been used were compared with the remaining ones (group 2, 87.1%, n = 135) with regard to device stabilisation, aortic disc protrusion to the aorta, iatrogenic coarctation, and device embolisation.

Results:

There was no significant difference by means of gender, age, weight, and the ductal diameter, whereas the average mean pulmonary artery pressure was significantly higher in group 1. Device protrusion and related complications were significantly higher in group 2; thus, additional catheterisations or surgical interventions were required, while no additional intervention was required in group 1.

Conclusion:

The balloon-assisted device releasing technique provides a good device stabilisation and prevents protrusion of the device and related complications during percutaneous patent ductus arteriosus closure in selected cases.