bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of spatial variation of phosphates in Batang Arau River, Indonesia
Authors: Helard Denny , Indah Shinta , Ardon Afdila
Published: March 2019

This study aims to study the spatial variation of phosphates (orthophosphate, total phosphate, and organic phosphate) in the Batang Arau River, West Sumatera, Indonesia. Sampling was conducted at eight stations along the river from March to May 2014. The results indicate that the three types of phosphates have similar spatial distribution patterns, with an increasing trend in concentration from upstream to downstream. The results also showed that the average orthophosphate and total phosphates concentrations at most of sampling sites had exceeded the quality standard for river water in West Sumatera (class II < 0.2 mg/L) except in the upstream. The mean concentrations of orthophosphate, total phosphates and organic phosphate were 0.054-0.423 mg/L, 0.067-0.446 mg/L, and 0.013-0.072 mg/L, respectively. Analysis of spatial variation with ANOVA at 95% confidence level indicated that differences in land use and human activities along the Batang Arau River resulted in significant differences in phosphates concentration (p < 0.05), except for organic phosphate.
Éléments pour une psychopathologie de la révolte
Authors: Novello Samantha , da Costa Héloïse
Published: March 2019

En développant une approche inter- et transdisciplinaire, adoptée depuis quelques années dans le domaine de la recherche bioéthique, l’article propose un « dialogue » critique entre la pratique clinique contemporaine et la phénoménologie de la révolte et de ses pathologies formulée dans l’œuvre philosophique et littéraire d’Albert Camus. La lecture des essais philosophiques du Prix Nobel de Littérature, et notamment de L’Homme révolté (Paris, 1951), « en filigrane » de la situation clinique de Théo, exposée dans la première partie de cette contribution, permet, dans la deuxième partie de l’article, de mettre quelques-unes es pistes thérapeutiques actuelles - de la thérapie neuropsychologique à celle de la psychologie systémique et de la psychologie clinique d’orientation psychodynamique - à l’épreuve de l’analyse camusienne de la psychopathologie de la révolte contemporaine.
Platforms and Tendencies for the Development of the Digital Economy in Russia
Authors: Ermolaev K.N. , Trubetskaya O.V. , Shnyakin K.V. , Pavlova J.A.
Published: March 2019

The relevance of this article is due to the fact that representations existing in science have not formed a common understanding of the essence, directions and implications of economy digitalization, therefore the purpose of the study is to substantiate and present the authors’ understanding of the pattern of origin, the essence of the digital economy and its development. The category of the digital economy is considered in the unity of genetic, essential, structural and functional aspects. The authors substantiate the internal relationship of digitalization with the fourth industrial revolution and the introduction of digital technologies in all spheres of human activity. The scientific significance of the study is to disclose the content and main directions of Russia’s systemic transition to a digital development model. The formulated methodological approach and the results obtained provide the possibility for further research on the essential features of the digital economy and the development of practical measures for its development, for the prevention of negative effects of digitalization, and for the development of measures for the institutional regulation of the systemic transition of the Russian economy to the digital development model.
Genesis of the Definition “Goodwill” as Economical Category: International and Russian Aspect
Authors: Kuzmenko O.A. , Dyachkova-Politi A.M.
Published: March 2019

The article is devoted to formation of the definition “Goodwill” in Russian accounting practice based on historical trends, regulations and standards. During the research the definition was explored from legal stand point, were considered major milestones in its development and, as a result, it was concluded that further development will be necessary due to acceptance of the International Financial Reporting Standards on territory of Russian Federation. It compares experience of the United States and Russia in regulation of the definition and its realization and recognition in financial reporting. As an economic category goodwill have gone through development of the definition reputation to the leading indicator of the company’s stability in merger and acquisition process. From this position, usage of goodwill in consolidated financial reporting is crucial and requires development of the mechanisms for implementation and guardianship of the intangible assets, its proper amortization and impairment.
Lean Management Implementation at Municipal Level: Opportunities, Conditions, Barriers
Authors: Minakova A.Ya. , Koroleva E.N.
Published: March 2019

The use of new management technologies that have shown their efficiency in the business sector is essential in municipal areas while developing an innovative economy in Russia. The study is aimed at grounding the conditions of using lean management technologies aiming at increasing efficiency of municipal management in Russia. The research was aimed at and solved three main objectives: 1) the systematization of ‘lean production’ technologies and instruments suitable to use at the municipal level; 2) the analysis of foreign and domestic experience of using lean management by governments and local authorities; 3) the formulation of conditions for successful adoption of lean management by local authorities and the identification of barriers to its implementation at the municipal level in Russia. The study is based on the systemic approach viewing lean management as an integrated system including regulatory and legal provisions, theoretical and methodological research carried out by foreign and domestic scholars, best practices of implementing lean production technologies and instruments. The results of the study are aimed at local authorities introducing innovative technologies designed to improve the efficiency of municipal management.
Digitalization as a Key Factor of Increasing Investment Attractiveness and Innovative Development of Industrial Enterprises
Authors: Bulavko O.A. , Tatarskih B.Ya. , Tuktatova L.R. , Naugolnova I.A.
Published: March 2019

The relevance of the study is stipulated by the need to increase the in-vestment attractiveness of the real sector of the economy in the context of global changes associated with the new industrial revolution "Industry 4.0". In this regard, the article is aimed at identifying indicators that determine the innovative potential of industrial complex enterprises, identifying factors and criteria for the effective development of industrial enterprises based on the introduction of innovative and digital technologies and increasing the investment attractiveness of high-tech industries. The leading approach to the study of this problem is a systematic and comprehensive analysis of the reasons of technological lag of industrial enterprises and the factors restraining their effective development. As a result, the possibilities of the economy growth at the account of the tools of the industrial investment policy were proved. The materials of the article are of practical value for researchers and specialists involved in the problems of increasing the investment attractiveness and economic efficiency of industrial enterprises in conditions of economy digitalization. The materials of the article are of practical value for researchers and specialists involved in the problems of increasing the investment attractiveness and economic efficiency of industrial enterprises in conditions of digitalization of the economy.
Impact of Digitalization on the Industrial Enterprises Activities
Authors: Chudaeva A.A. , Mantulenko V.V. , Zhelev P. , Vanickova R.
Published: March 2019

The relevance of the study is determined by the change of technological structure of the Russian economy: digital technologies are becoming an integral part of the fulfilling life of both individual and legal entities. The use of digital technologies in the activities of manufacturing enterprises allows them to become more competitive. However, the change in almost all processes of an enterprise because of digitalization simplifies some of them and reduces their cost but complicates others and makes them more expensive. In addition, the digitalization leads to the emergence of new processes at enterprises that often means the emergence of new risks and additional costs.

The purpose of this research is to study the impact of the digitalization on activities of industrial enterprises. Objectives of the study are: to study the concept of digitalization, areas of activity of industrial enterprises as well as consequences of the introduction of digital technologies into each of the activity area of industrial enterprises and the impact of digitalization on the results of a production enterprise.
The Driver of Development and Transformation of Global Oil and Gas Business in Digital Economy’s Conditions
Authors: Peskova D.R. , Khodkovskaya Yu.V. , Nazarov M.A.
Published: March 2019

The digitalization of the oil and gas sector is the strong driver for Russian economy increasing efficiency. The main purpose of this study is to find out the main digitalization development trends of the oil and gas sector and the growth barriers and effects in Russian oil and gas industry in modern digital economy conditions. The results of this study show options of digital technology using in oil and gas sector in Russia.
Some Aspects of the Quality of Corporate Governance in Digital Economy
Authors: Polidi A.A. , Goukasyan Z.O. , Maslova I.A. , Fedorenko R.V.
Published: March 2019

The relevance of this article is due to technological changes that are constantly introducing new characteristics, both in the global economic system and in the economy of individual fields of activity. The newest digital economy is significantly different from the traditional economy. A modern business environment requires constant adaptation of an entrepreneur to dynamically changing conditions at a strategic and tactical level.

The purpose of the article is to study aspects of the quality of corporate governance, taking into account the challenges of the digital economy.

The objectives of the study are: to identify the key elements of corporate governance and environmental factors affecting them; to determine the conditions and factors of the formation of economic interests in the corporate governance system for the purpose of improving the quality of corporate governance in the digital economy.
Improving the Application of Project Management Methods for the Purpose of Implementation of National Projects
Authors: Mustafina L.A.
Published: March 2019

At the present time, the Government of the Russian Federation is engaged in the development and preparation of a number of national projects aimed at accelerating the social and economic development of the country. In the course of this undertaking, the Government should pay special attention to the technology involved in the projects, which contributes to the relevance of the study. The study aims is to improve the methodology of project technology as a part of public management in the aspect of the implementation of national projects. The main tasks within the study were: reviewing the organizational and management structures of a national project, clarification of the definition of a national project from the perspective of project management. In order to solve the problems stated in the study, empirical and theoretical methods were used, including an analysis of the national regulatory framework and methodology in the field of project management; systematization of organizational and management structures; comparison of project management models for the implementation of comprehensive planning documents as adopted in the Russian Federation. As a result, we have identified a number of features and problems arising in the process of integration of projects at the regional and municipal level, elaborated the concept of a national project, and proposed to introduce it to the Russian legislation.
The Specifics of Migration in Russian Regions
Authors: Eldyaeva N.A. , Kovanova E.S. , Lebedinskaya O.G. , Tenetova E.P.
Published: March 2019

The world today is marked by strong migratory flows where Russia is not left behind by the global trends as the displacements of people between Russian regions and within a particular region are increasing that does not remain unnoticed for national and regional socio-economic development. The paper is aimed at identifying the specifics of the migration in Russian regions with special sampling and econometric models used to research into the interrelation ‘migration – economy and social sphere’. The study has identified the specifics of the migration: the centralizing nature of migration flows and migrants gathering in a few certain large and favourable Russian territories; depopulation of rural territories in Russian regions, increasing migratory flows among young rural people, including women. The reason is in huge and growing imbalance between the levels of socio-economic development of municipal areas within a republic and across Russian regions.
The Concept of Social Marketing while Supplying the Population with Liquefied Gas
Authors: Kirillova L.K. , Korzhova G.A. , Mukhametzyanova L.H. , Banartseva A.V.
Published: March 2019

The article analyzes the specificity of the marketing activities of the gas supplying organization involved in the socially significant projects. Social marketing acts as a concept acceptable in conditions of increased corporate social responsibility of the society and organization. Consideration for the interests of a commercial organization requires support from government agencies in terms of subsidizing costs when supplying localities with liquefied gas, in the absence of pipelines and the economic viability of their construction. The most important condition providing the access of the population to natural gas is the choice of a reliable gas supplier that could compensate for lost income at the expense of other activities, and guarantee high quality public services. Assessment of the quality of customer service is an indicator of the effectiveness of the tasks set by the gas supplying organization and the criterion for selecting a partner organization for a social project of the public authorities. The paper assessed the competitive advantages of a gas supplying organization operating on the principles of social marketing. Recommendations are given on the development of the organization’s activities while reducing the demand for liquefied gas supplies in the region.
Development of Financial Competences of Entrepreneurs under Conditions of Economy Digitalization
Authors: Volkodavova E.V. , Zhabin A.P. , Khansevyarov R.I.
Published: March 2019

The study is devoted to development of digital financial competencies of entrepreneurs engaged in production and sales activities in the global economic environment with the involvement of financial intermediaries - domestic and foreign banks, Fintech, factoring companies, etc. The use of the integrated systems approach to theoretical and field research allows covering the spectrum issues related to the development of digital competencies of entrepreneurs in the field of search and employing services of financial intermediaries, justifying their choice and expediency of employing. The study represents the conclusions about the level of digital financial competencies of entrepreneurs, their compliance with the requirements of modern business conditions, and the recommendations on their further development.
Interregional Inequality of Population Incomes: Problems of Methodology and Estimation in the Russian Federation
Authors: Tolmachev M.N. , Barashov N.G. , Latkov A.V. , Markov V.A.
Published: March 2019

Currently, the priority of the Russian Federation socio-economic development is to achieve sustainable economic growth. A significant obstacle to the achievement of this goal is the unevenness and disproportionality in the socio-economic development of the Russian regions. This circumstance makes the problem of an objective and adequate assessment of Russian regions the interregional differentiation particularly relevant. The study notes that the nominal monetary income of the population does not take into account regional differences in price level. This work discusses methodological approaches of reliable determination, advantages of weighted and unweighted estimates in the interregional inequality, special attention is paid to weighing the average per capita indicators of the subject of the Russia for the proportion of the region’s population in the country’s population. To assess the purchasing power of the population at the regional level, the authors propose to use a modified cost of living index. As a result of the study, the dynamics of the variation coefficient of the average per capita monetary incomes of the population and adjusted for the modified cost-of-living index were determined, on the basis of which the regions of Russia were divided into three groups. The efficiency of the transition to the analysis of incomes comparable in purchasing power, as comparison of weighted and unweighted variation coefficients, has been proved. The trend towards smoothing interregional inequality, which is caused by the accelerated growth of real incomes of the population in the low-income group of Russian regions.
Development of the Bankruptcy Institution in Russia: Features of Procedural and Legal Regulation
Authors: Ageeva G.E. , Lang P.P.
Published: March 2019

The study of the development of bankruptcy institution procedural and legal regulation is very pressing in modern society, since the number of insolvent subjects is increasing every year, which inevitably increases the use of the norms of the institution being studied. However, in law enforcement practice, a number of problems arise due to the lack of a unified theoretical-based approach in constructing the legal regulation of the bankruptcy institution. The purpose of this study is to analyze the features of the procedural and legal regulation of the bankruptcy institution. The objectives of the study are to examine the system of legislation governing the bankruptcy institution, to analyze the law enforcement practice of declaring debtors insolvent, identifying problems of procedural regulation and the formulation of proposals for their elimination. In carrying out the study as the main method of knowledge, the authors relied on the materialist dialectic. In addition, other research methods were used: analysis and synthesis; induction, deduction; comparative law, etc. Abstracting from specific criteria and categorical problems, the study examined general provisions, concepts and categories of the institution of insolvency (bankruptcy), features of its procedural and legal regulation, as well as identified its problems. Due to a comprehensive and consistent analysis in accordance with the purpose and objectives of the study, which are its stages, it was possible to come to some conclusions and formulate certain recommendations. The significance of the study has both a theoretical aspect and an applied one: the formed theoretical concept of the institution of bankruptcy can enrich legal science, and proposals designed to solve existing law-enforcement problems can be used in the implementation of the norms of the institution under study.
Commercial Credit in the Activities of Business Entities: Features of Legal Regulation in the Russian Federation
Authors: Startseva S.V. , Deltsova N.V.
Published: March 2019

The activity of any economic entity, both in the Russian Federation and in any other country, needs free financial resources. They are used for entrepreneurial activities, as ultimately the purpose of such activity is to make profit. Money can be obtained under a loan agreement in a credit institution. Generally obtaining a loan from a credit institution is associated with increased costs (high bank interest and bank charges), the need to provide security and the length of the procedure for obtaining a loan. Commercial loan, however, is deprived of these shortcomings. Commercial credit is provided by economic entities to each other in the process of doing business, and it allows you to get free financial resources, both in the short and in the long business term. Economists believe that in the means of the increase of working capital a commercial loan is second in importance after banking one. Commercial loans are widespread both in the Russian Federation and abroad. Despite the widespread use of commercial credit in economic activity, it is governed by only one article in the Civil Code of the Russian Federation. The purpose of the study is to analyze a commercial loan agreement and study the legal relationship between the lender and the borrower. Objectives of the study are to study of the essence of a commercial loan; to study of the relationship of a commercial loan agreement with other agreements and other civil structures. The methods that were used in the study are the following: a formal legal method to define the concept of a commercial loan agreement, a system-structural analysis method to determine the nature of a commercial credit, a comparative legal method to determine the relationship of a commercial credit agreement to other agreements and other civil legal constructions. The result of the study is a proven conclusion that a commercial loan agreement is an independent agreement. The findings and results of the study can be used for further research and as educational material, in legislative work and in law enforcement practice.
The Economic Analysis of the Law in the Sphere of Public Law Regulation of Activity of Economic Entities
Authors: Bortnikov S.P.
Published: March 2019

The relevance of work is caused by importance of correlation of the legal methods established by the power and the economic maintenance of the adjustable relations. In article the general approaches to legal regulation of economy, on the one hand, and to the economic analysis of law – with another are analyzed. The author argues the point of view according to which the correlation "law and economy" and differentiation of the economic analysis of continental and common law is necessary. Arguments in support of the centralized legal regulation and economic management of economy are adduced. Further author's main characteristics "the economic analysis of law" in the changing state of the Russian Federation, since 1990 are granted. In the most general sense methodological and ideological bases of approach to definition of legal regulation of economic management in the socialist and capitalist state are defined. According to the author, capitalism is also the deadlock direction of economic development. The approach existing in an economics represents attempt to extend phenomena of the neoclassical economic theory and neo institutionalism to the spheres of the public relations which are not connected with economy (i.e. economic approach to all social problems). Demand is not exclusively economic category, it extends also to the sphere of the right which is estimated also on availability, the price, alternative costs, usefulness. The author proves need of the researches covering boundary subject of law and economy. Arguments in support of this point of view are adduced. The conclusion is in conclusion drawn that need of researches on a joint of the right and economy is obvious now, and it concerns not only legal, but also equally economic science. At the same time interaction of sciences has to be carried out as equals, and amendments have to concern both fields of knowledge. In this regard researches "the rights and economies" can become one of the most perspective directions of development within both law, and economy.
Mathematical Modeling Course Creation and Implementation Using Cocalc
Authors: Kozhukhova V.N. , Korobetskaya A.A. , Semenychev V.K.
Published: March 2019

Being commonly used worldwide, e-learning courses are only starting to evolve in regional Russian universities. Unlike the most Moodle-using colleagues, the authors created mathematical modeling e-course with not so well-known in Russia learning management system Cocalc. The biggest advantage of Cocalc is the ability to write and compile program code inside, with a lot of programming languages supported. Using statistical methods, the authors assessed the results of the course implementation, revealing that students began to perform tasks faster, learned to program fluently in R and Latex and increased their English level knowledge.
Mathematical Model of Economical Assessment of Investments in Information Provision for the Management System of a Modern Company
Authors: Korablev A.V. , Petrushova M.V. , Pogorelova E.V. , Abrosimov A.G.
Published: March 2019

Information provision for a company’s management system not only provides data for evaluating day-to-day operations but also is an efficient tool for improving the reliability of the entire management system. For purposes of efficiently managing projects for implementing modern information provision, the company should design a formalized model for assessing the relationship between project-related financial costs and the number of automated business processes in place at the company. This paper proposes using a mathematical model that contains financial indicators such as net present value, cash flows, and discount rates. Thanks to lower investment risks, the model will improve the economic efficiency of investment projects as part of implementing information provision at the company.
Accounting for the Digitalization Factor in Assessing Territorial Competitiveness
Authors: Dmitrieva E.O. , Guseva M.S.
Published: March 2019

The study considers approaches in assessing territorial competitiveness at the present stage. The authors propose to take into account the digitalization factor as one of the key in assessing territorial competitiveness, which is associated with current trends in socio-economic development. The study presents the structure of competitiveness and made proposals for taking into account the digitalization factor in assessing territorial competitiveness. The results of the study will contribute to the development of an appropriate methodology.
The Influence of Environmental Predictors on the Correlation Dependence of Population Morbidity
Authors: Lazareva N.V. , Sidorov A.A. , Firulina I.I. , Sapova O.A.
Published: March 2019

In this article, the authors consider environmental risk factors on direct dependence of the population morbidity of the industrial region in the Russian Federation. In terms of concept of sustainable development, the evaluation of the conditions of health and life quality is made through a set of relevant indices and indicators. The authors analyze health conditions, morbidity and mortality using statistical reporting data. The paper evaluates the condition of health and the population life quality in a comparative aspect by year and region, based on the available data of the statistical reports of the constituent entities of the Russian Federation. These factors directly or indirectly reflect the conditions of the environment, life quality, including the level of socio-economic development. As an integral evaluation, we are developing methods to reduce the impact of harmful factors on public health. As a result, we have the evaluation with subsequent ranking, according to which the strategy for further development is elaborated.
Optimization of solder joints in embedded mechatronic systems via Kriging-assisted CMA-ES algorithm
Authors: Hamdani Hamid , Radi Bouchaïb , El Hami Abdelkhalak
Published: March 2019

In power electronics applications, embedded mechatronic systems (MSs) must meet the severe operating conditions and high levels of thermomechanical stress. The thermal fatigue of the solder joints remains the main mechanism leading to the rupture and a malfunction of the complete MS. It is the main failure to which the lifetime of embedded MS is often linked. Consequently, robust and inexpensive design optimization is needed to increase the number of life cycles of solder joints. This paper proposes an application of metamodel-assisted evolution strategy (MA-ES) which significantly reduces the computational cost of ES induced by the expensive finite element simulation, which is the objective function in optimization problems. The proposed method aims to couple the Kriging metamodel with the covariance matrix adaptation evolution strategy (CMA-ES). Kriging metamodel is used to replace the finite element simulation in order to overcome the computational cost of fitness function evaluations (finite element model). Kriging is used together with CMA-ES and sequentially updated and its fidelity (quality) is measured according to its ability in ranking of the population through approximate ranking procedure (ARP). The application of this method in the optimization of MS proves its efficiency and ability to avoid the problem of computational cost.
Thermographic Characteristics of the Diabetic Foot With Peripheral Arterial Disease Using the Angiosome Concept
Authors: Carabott Matthew , Formosa Cynthia , Mizzi Anabelle , Papanas Nikolaos , Gatt Alfred
Published: March 2019

Aim To compare temperature changes following a challenge of limb elevation, in 3 forefoot angiosomes between type 2 diabetes mellitus patients with and without peripheral arterial disease (PAD).

Methods Participans were categorized in a no PAD, mild PAD or severe PAD group. All underwent thermal imaging, then successive thermal images were taken at 1 min intervals after the lower limbs were elevated for 5 min. Thereafter, the lower limbs were lowered to the original position and imaged after 1 min. Mean temperatures of the hallux, medial and lateral forefoot were analysed by the angiosome concept.

Results Forty-two limbs were analysed. Mean resting temperatures of all angiosomes of participants with PAD were higher than those with no peripheral arterial disease. A significant difference in the mean initial temperature between the groups was found in the medial and lateral forefoot angiosomes (p=0.048, p=0.049 respectively), whilst at the hallux these temperatures were not significant (p=0.165). After limb elevation, the only significant difference was seen in the lateral foot area at 1 min (p=0.021).

Conclusions These results confirm that patients with PAD exhibit significantly higher forefoot temperatures, according to the angiosome concept. The challenge by foot elevation did not affect the thermal pattern significantly.
Stereoselective Synthesis of (Z)-2-Bromo-2-CF3-Vinyl Phenyl Sulfide and its Sonogashira Cross-Coupling Reaction
Authors: Fukuda Yui , Kikumura Takumi , Sakoda Saki , Ikeda Genki , Nakamura Yuki , Dojyo Masakazu , Yamada Yasunori , Hanamoto Takeshi
Published: March 2019

A practical synthesis of (Z)-2-bromo-2-CF3-vinyl phenyl sulfide from 2-CF3-vinyl phenyl sulfide was achieved using bromine (Br2) in the presence of LiBr and LiOAc in AcOH in one flask. This method affords a stereodefined product in high yield under mild conditions. The synthetic application of the product was briefly examined, providing a wide range of Sonogashira cross-coupling products using terminal acetylenes as a coupling partner.
A Comparison of Some Nature-Inspired Optimization Metaheuristics Applied in Biomedical Image Registration
Authors: Bejinariu Silviu , Costin Hariton
Published: March 2019

Computational Intelligence Re-meets Medical Image Processing

Analysis of Machine Learning Algorithms for Diagnosis of Diffuse Lung Diseases

Background In the last decades, new optimization methods based on the nature's intelligence were developed. These metaheuristics can find a nearly optimal solution faster than other traditional algorithms even for high-dimensional optimization problems. All these algorithms have a similar structure, the difference being made by the strategies used during the evolutionary process.

Objectives A set of three nature-inspired algorithms, including Cuckoo Search algorithm (CSA), Particle Swarm Optimization (PSO), and Multi-Swarm Optimization (MSO), are compared in terms of strategies used in the evolutionary process and also of the results obtained in case of particular optimization problems.

Methods The three algorithms were applied for biomedical image registration (IR) and compared in terms of performances. The expected geometric transform has seven parameters and is composed of rotation against a point in the image, scaling on both axis with different factors, and translation.

Results The evaluation consisted of 25 runs of each IR procedure and revealed that (1) PSO offers the most precise solutions; (2) CSA and MSO are more stable in the sense that their solutions are less scattered; and (3) MSO and PSO have a higher convergence speed.

Conclusions The evaluation of PSO, MSO, and CSA was made for multimodal IR problems. It is possible that for other optimization problems and also for other settings of the optimization algorithms, the results can be different. Therefore, the nature-inspired algorithms demonstrated their efficacy for this class of optimization problems.
Hot probe measurements on neutron irradiated, isotope enriched ZnO nanorods
Authors: Ironside C. N. , Rickard W. D. A. , Dekker-Zangari C. , Gray C. , McGlynn E. , Marks N. A.
Published: March 2019

We report on neutron transmutation doping (NTD) of isotopically (64Zn) enriched ZnO nanorods to produce material with holes as the majority mobile carrier. Nanorods of ZnO enriched with 64Zn were synthesised and the abundance of 64Zn in these samples is ∼ 71%, compared to the natural abundance of ∼ 49 %. The enriched material was irradiated with thermal neutrons which converts some 64Zn to 65Zn. The 65Zn decays to 65Cu with a half-life of 244 days and the Cu can act as an acceptor dopant. After 690 days, a hot probe technique was used to determine the majority charge carriers in non-irradiated and neutron irradiated nanorod samples. Non-irradiated samples were measured to be to have electrons as the majority mobile carrier and the irradiated samples were measured to have holes as the majority mobile carrier.
Ultrafast photodissociation dynamics and nonadiabatic coupling between excited electronic states of methanol probed by time-resolved photoelectron spectroscopy
Authors: Champenois Elio G. , Greenman Loren , Shivaram Niranjan , Cryan James P. , Larsen Kirk A. , Rescigno Thomas N. , McCurdy C. William , Belkacem Ali , Slaughter Daniel S.
Published: March 2019

The electronic and nuclear dynamics in methanol, following 156 nm photoexcitation, are investigated by combining a detailed analysis of time-resolved photoelectron spectroscopy experiments with electronic structure calculations. The photoexcitation pump pulse is followed by a delayed 260 nm photoionization probe pulse to produce photoelectrons that are analyzed by velocity map imaging. The yields of mass-resolved ions, measured with similar experimental conditions, are found to exhibit the same time-dependence as specific photoelectron spectral features. Energy-resolved signal onset and decay times are extracted from the measured photoelectron spectra to achieve high temporal resolution, beyond the 20 fs pump and probe pulse durations. When combined with ab initio calculations of selected cuts through the excited state potential energy surfaces, this information allows the dynamics of the transient excited molecule, which exhibits multiple nuclear and electronic degrees of freedom, to be tracked on its intrinsic few-femtosecond time scale. Within 15 fs of photoexcitation, we observe nuclear motion on the initially bound photoexcited 21A″ (S2) electronic state, through a conical intersection with the 11A′ (S3) state, which reveals paths to photodissociation following C–O stretch and C–O–H angle opening.
Anomalous Nernst effect in epitaxial Fe and FexNi1-x alloy thin films
Authors: Ma L. , Zhang Y. , Zhao H. , Fu H. R. , Tang M. , Yang H. L. , Shi Z. , Tian N. , You C. Y.
Published: March 2019

The anomalous Nernst effect (ANE) is investigated experimentally in epitaxial fcc FexNi1-x (0≤x≤0.55) alloy thin films and bcc Fe thin film grown on MgO (001) substrates. The ANE measurements were performed at room temperature for various temperature gradients perpendicular to the film plane. The anomalous Nernst efficiency was indirectly characterized by the factor νN. It is found that both the ANE voltage VANE and the factor νN increase with raising the composition of Fe from 0 to 0.55, due to the presence of more abundant band structures. Moreover, the VANE and νN factor in bcc Fe thin film change sign and decrease sharply in magnitude compared to that of fcc FexNi1-x thin films, indicating that the tuning effects of the band filling near Fermi surface on ANE. The present results will facilitate the theoretical studies of ANE and provide means of manipulating ANE for technological application.
Automated Markov state models for molecular dynamics simulations of aggregation and self-assembly
Authors: Sengupta Ushnish , Carballo-Pacheco Martín , Strodel Birgit
Published: March 2019

Markov state models have become popular in the computational biochemistry and biophysics communities as a technique for identifying stationary and kinetic information of protein dynamics from molecular dynamics simulation data. In this paper, we extend the applicability of automated Markov state modeling to simulation data of molecular self-assembly and aggregation by constructing collective coordinates from molecular descriptors that are invariant to permutations of molecular indexing. Understanding molecular self-assembly is of critical importance if we want to deepen our understanding of neurodegenerative diseases where the aggregation of misfolded or disordered proteins is thought to be the main culprit. As a proof of principle, we demonstrate our Markov state model technique on simulations of the KFFE peptide, a subsequence of Alzheimer’s amyloid-β peptide and one of the smallest peptides known to aggregate into amyloid fibrils in vitro. We investigate the different stages of aggregation up to tetramerization and show that the Markov state models clearly map out the different aggregation pathways. Of note is that disordered and β-sheet oligomers do not interconvert, leading to separate pathways for their formation. This suggests that amyloid aggregation of KFFE occurs via ordered aggregates from the very beginning. The code developed here is freely available as a Jupyter notebook called TICAgg, which can be used for the automated analysis of any self-assembling molecular system, protein, or otherwise.
Few-cycle laser wakefield acceleration on solid targets with controlled plasma scale length
Authors: Zaïm N. , Böhle F. , Bocoum M. , Vernier A. , Haessler S. , Davoine X. , Videau L. , Faure J. , Lopez-Martens R.
Published: March 2019

We measure the emission of energetic electrons from the interaction between relativistic-intensity ultrashort laser pulses and a solid density plasma with a tunable density gradient scale length. We detect an electron beam that only appears with few-cycle pulses (<10 fs) and large plasma scale lengths (L > λ0). Numerical simulations, in agreement with the experiments, reveal that these electrons are accelerated by a laser wakefield. Plasma waves are indeed resonantly excited by the few-cycle laser pulses in the near-critical density region of the plasma. Electrons are then injected by ionization into the plasma waves and accelerated to relativistic energies. In this laser wakefield acceleration regime, the plasma waves are rotated by the plasma density gradient, which results in the electrons not being emitted in the same direction as the driving laser pulse.
Hexagonal MASnI3 exhibiting strong absorption of ultraviolet photons
Authors: Li Qiaoqiao , Wan Wenhui , Ge Yanfeng , Wang Busheng , Li Yingmei , Wang Chuang , Zhao Yong-Hong , Liu Yong
Published: March 2019

MASnI3, an organometallic halide, has great potential in the field of lead-free perovskite solar cells. Ultraviolet photons have been shown to generate deep trapping electronic defects in mesoporous TiO2-based perovskite, affecting its performance and stability. In this study, the structural, electronic, and optical properties of the cubic, tetragonal, and hexagonal phases of MASnI3 were studied using first-principles calculations. The results indicate that the hexagonal phase of MASnI3 possesses a larger indirect bandgap and a larger carrier effective mass along the c-axis compared to the cubic and tetragonal phases. These findings were attributed to enhanced electronic coupling and localization in the hexagonal phase. Moreover, the hexagonal phase exhibited high absorption of ultraviolet photons and high transmission of visible photons, particularly along the c-axis. These characteristics demonstrate the potential of hexagonal MASnI3 for application in multijunction perovskite tandem solar cells or as coatings in mesoporous TiO2-based perovskite solar cells to enhance ultraviolet stability and photon utilization.
Effect of target material on relativistic electron beam transport
Authors: Chawla S. , Bailly-Grandvaux M. , McLean H. S. , Patel P. K. , Wei M. S. , Beg F. N.
Published: March 2019

A computational study using the hybrid-particle-in-cell code ZUMA investigated the transport of a fast electron beam (55 J, 1013 A/cm2) produced at Titan laser conditions (λ = 1 μm, 0.7 ps, 1020 W/cm2) in materials ranging from the low to high atomic number, specifically fast electron stopping and the evolution of resistive magnetic fields. Fast electron energy loss due to stopping was similar in Al, Cu, and Ag (21%–27%) and much higher in Au (54%). Ohmic stopping was found to dominate over collisional stopping in all materials except Au. Resistive magnetic field growth was shown to depend on the dynamic competition between the resistivity and resistivity gradient source terms in Faraday's Law. Moreover, the dependence of these terms on the background material ionization state and temperature evolution is presented. The advantages of mid-Z materials for collimation are discussed, as well as the implications for collimation at fast ignition conditions.
Low energy states of NdO+ probed by photoelectron spectroscopy
Authors: VanGundy Robert A. , Persinger Thomas D. , Heaven Michael C.
Published: March 2019

The ionization energy (IE) of NdO and the low-energy electronic states of NdO+ have been examined by means of two-color photoionization spectroscopy. The value obtained for the IE, 5.5083(2) eV, is 0.54 eV higher than previous estimates. This leads to the conclusion that the autoionization reaction Nd + O → NdO+ + e− is exothermic by 1.76(10) eV. Thirty vibronic levels of NdO+ arising from eight electronic states were observed with partial rotational resolution. The energy level pattern and supporting electronic structure calculations indicated that all of the observed states correlated with the Nd3+(4f3, 4I)O2− configuration. The structure was consistent with a ligand field theory model where the electronic states of the Nd3+(4f3, 4I) atomic ion define a repeated motif in the electronic state energy intervals of the molecular ion. Comparisons with UO+ show close similarity in the electronic structures of these isoelectronic species.
Soft-wall induced structure and dynamics of partially confined supercritical fluids
Authors: Ghosh Kanka , Krishnamurthy C. V.
Published: March 2019

The interplay between the structure and dynamics of partially confined Lennard Jones (LJ) fluids, deep into the supercritical phase, is studied over a wide range of densities in the context of the Frenkel line (FL), which separates rigid liquidlike and non-rigid gaslike regimes in the phase diagram of the supercritical fluids. Extensive molecular dynamics simulations carried out at the two ends of the FL (P = 5000 bars, T = 300 K, and T = 1500 K) reveal intriguing features in supercritical fluids as a function of stiffness of the partially confining atomistic walls. The liquidlike regime of a LJ fluid (P = 5000 bars, T = 300 K), mimicking argon, partially confined between walls separated by 10 Å along the z-axis, and otherwise unconstrained, reveals amorphous and liquidlike structural signatures in the radial distribution function parallel to the walls and enhanced self-diffusion as the wall stiffness is decreased. In sharp contrast, in the gas-like regime (P = 5000 bars, T = 1500 K), soft walls lead to increasing structural order hindering self-diffusion. Furthermore, the correlations between the structure and self-diffusion are found to be well captured by excess entropy. The rich behaviour shown by supercritical fluids under partial confinement, even with simple interatomic potentials, is found to be fairly independent of hydrophilicity and hydrophobicity. The study identifies persisting sub-diffusive features over intermediate time scales, emerging from the strong interplay between density and confinement, to dictate the evolution and stabilization of structures. It is anticipated that these results may help gain a better understanding of the behaviour of partially confined complex fluids found in nature.
Structural and dynamical rationale for fatty acid unsaturation in
Escherichia coli
Authors: Dodge Greg J. , Patel Ashay , Jaremko Kara L. , McCammon J. Andrew , Smith Janet L. , Burkart Michael D.
Published: March 2019

Fatty acid biosynthesis in α- and γ-proteobacteria requires two functionally distinct dehydratases, FabA and FabZ. Here, mechanistic cross-linking facilitates the structural characterization of a stable hexameric complex of six
Escherichia coli
FabZ dehydratase subunits with six AcpP acyl carrier proteins. The crystal structure sheds light on the divergent substrate selectivity of FabA and FabZ by revealing distinct architectures of the binding pocket. Molecular dynamics simulations demonstrate differential biasing of substrate orientations and conformations within the active sites of FabA and FabZ such that FabZ is preorganized to catalyze only dehydration, while FabA is primed for both dehydration and isomerization.
Entanglement distribution over a 96-km-long submarine optical fiber
Authors: Wengerowsky Sören , Joshi Siddarth Koduru , Steinlechner Fabian , Zichi Julien R. , Dobrovolskiy Sergiy M. , van der Molen René , Los Johannes W. N. , Zwiller Val , Versteegh Marijn A. M. , Mura Alberto , Calonico Davide , Inguscio Massimo , Hübel Hannes , Bo Liu , Scheidl Thomas , Zeilinger Anton , Xuereb André , Ursin Rupert
Published: March 2019

Significance

Entanglement, the existence of correlations in distant systems stronger than those allowed by classical physics, is one of the most astonishing features of quantum physics. By distributing entangled photon pairs over a 96-km-long submarine fiber, which is part of existing infrastructure carrying internet traffic, we demonstrate that polarization entanglement-based quantum key distribution (QKD) can be implemented in real-world scenarios. QKD facilitates secure communication links between two parties, whereby the security is guaranteed by the basic property of quantum mechanics that the quantum state of a photon cannot be duplicated.
Reciprocal modulation of 5-HT and octopamine regulates pumping via feedforward and feedback circuits in
C. elegans
Authors: Liu Hui , Qin Li-Wei , Li Rong , Zhang Ce , Al-Sheikh Umar , Wu Zheng-Xing
Published: March 2019

Significance

Physiological regulation and behavior depend less on neurons than on neuronal circuits. Neurosignal integration is the basis of neurocircuit function. The modalities of neuroinformation integration are evolutionarily conserved in animals and humans. Here, we identified two modalities of neurosignal integration in two different circuits by which serotonergic ADFs regulate pharyngeal pumping in
Caenorhabditis elegans
: disinhibition in a feedforward circuit consisting of ADF, RIC, and SIA neurons and disexcitation, a modality of neurosignal integration suggested by this study, in a feedback circuit consisting of ADF, RIC, AWB, and ADF neurons.