bluuebunny/crossref_metadata_2025 huggingface dataset:
Enhancing Weak Nodes in Decision Tree Algorithm Using Data Augmentation
Authors: Manzali Youness , El Far Mohamed , Chahhou Mohamed , Elmohajir Mohammed
Published: June 2022

Decision trees are among the most popular classifiers in machine learning, artificial intelligence, and pattern recognition because they are accurate and easy to interpret. During the tree construction, a node containing too few observations (weak node) could still get split, and then the resulted split is unreliable and statistically has no value. Many existing machine-learning methods can resolve this issue, such as pruning, which removes the tree’s non-meaningful parts. This paper deals with the weak nodes differently; we introduce a new algorithm Enhancing Weak Nodes in Decision Tree (EWNDT), which reinforces them by increasing their data from other similar tree nodes. We called the data augmentation a virtual merging because we temporarily recalculate the best splitting attribute and the best threshold in the weak node. We have used two approaches to defining the similarity between two nodes. The experimental results are verified using benchmark datasets from the UCI machine-learning repository. The results indicate that the EWNDT algorithm gives a good performance.
Objectives of an enterprise. Bi-criteria analysis and negotiation problems
Authors: Gadomski Jan , Kruś Lech
Published: June 2022

A decision-making process is considered for a firm, in which two coexisting groups of interests pursue different goals. An original model based on a non-neoclassical production function is proposed. The function satisfies the conditions formulated by R. Frisch, which makes it possible to investigate firms operating in the environment far from the perfect competition and pursuing goals other than profit maximization. A two-criteria optimization problem is formulated with the two criteria representing the goals of the groups: maximization of profit and maximization of income generated by the firm with respect to capital and labor. The problem is considered in two variants of the product market, namely the perfect and the imperfect competition. Solutions of the problem are analyzed including the derived Pareto sets. The importance of knowledge about the Pareto set in negotiations between the groups of interests in the firm is illustrated and discussed.
Analysis of dapagliflozin-induced expression profile of long noncoding RNAs in proximal tubular epithelial cells of diabetic kidney disease
Authors: Song Yi , Guo Feng , Huang Fengjuan , Zhao Yanyan , Ma Xiaojun , Wu Lina , Qin Guijun
Published: June 2022

Background

Accumulating evidence indicates that long noncoding RNAs (lncRNAs) play an important role in diabetic kidney disease (DKD). Dapagliflozin (DAPA), a sodium-glucose cotransporter 2 (SGLT2) inhibitor, exerts protective effects against DKD, but the underlying mechanism remains unclear.

Methods

In this study, we performed RNA microarray analysis to investigate differentially expressed lncRNAs and mRNAs in human proximal tubular epithelial cells (HK-2 cells) cultured with normal glucose (Ng), high glucose (Hg), and Hg plus DAPA, and conducted bioinformatic analyses to investigate their functions.

Results

Compared with the Ng group, 6761 lncRNAs and 3162 mRNAs were differentially expressed in the Hg group. Expression levels of 714 and 259 lncRNAs were up- and down-regulated, respectively, whereas those of 138 and 127 mRNAs were up- and down-regulated, respectively, after DAPA treatment (fold change ≥2, P < 0.05). Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted to assess the biological functions of lncRNAs and potential target genes. According to GO analysis, dysregulated mRNAs were primarily enriched in the cell cycle, whereas DAPA-induced mRNAs were enriched in collagen biosynthesis and regulation of programmed cell death. Type I diabetes mellitus and cell cycle signaling were the main KEGG pathways in the Hg group. However, cancer and signal transduction pathways were related to DAPA treatment.

Conclusions

Finally, we established protein–protein interaction (PPI) networks, as well as lncRNA–mRNA and lncRNA–miRNA–mRNA networks, and identified five potentially important lncRNAs whose expression levels were altered by DAPA treatment. Our findings suggest that lncRNAs are potential targets for DKD treatment.
Influence of Graphite as a Filler on Selected Mechanical and Structural Properties of Layered Composites with Polyester-Glass Recyclate
Authors: Wieczorska Agata , Panasiuk Katarzyna , Bazychowska Sylwia
Published: June 2022

The search for recycling methods of composite materials indicated the possibility of using composites with polyester-glass recyclate as structural elements. The main aim of the article was to analyse the influence of the graphite percentage content on the mechanical and structural properties of such composites. Composite materials were made by hand laminating with 10% polyester-glass recyclate and graphite nano-additive. Samples for the static tensile test were prepared, which was carried out in accordance with the applicable standard on a universal testing machine. The obtained results showed that with the increase in the amount of graphite, the properties of the composite decrease; however, disproportionately to the % of its content.
Application supporting the design of parachute geometry for the sounding rocket recovery system
Authors: Jasztal Michał , Kłosiński Artur , Stańska Marta
Published: June 2022

The work presents an application that enables the calculation of the basic geometric dimensions of parachutes used in the sounding rocket recovery systems. Determining the geometry of the parachute canopy, based on the equation of aerodynamic drag, which allows to obtain the object drop velocity declared by the user. The developed application also enables the visualization of the parachute canopy geometry selected according to the specific requirements of the mission. The key element of the work is the possibility of obtaining the geometry of a single segment of the parachute canopy along with the necessary allowance for the seam, which significantly facilitates the process of making a ready-to-use parachute. As part of this study, the results of the calculations made with the use of the application were verified on the basis of data collected during the flight of the experimental sounding rocket.
Development of the District Heating System on the Left Bank of the Daugava River in Riga
Authors: Dzelzitis E. , Talcis N. , Pilmanis I. , Bode I. , Jansons L. , Zemite L.
Published: June 2022

In Latvia, heat supply is provided in three different ways: using district heating (hereinafter – DH), local heating and individual heating systems. Heat energy consumption consists of heat energy consumption for heating, hot water and heat energy technological processes. The structure of DH consumers has not changed in recent years and the largest consumers of heat are households – 70 % of the total energy consumption. The district heating system accounts for approximately 29 % of the total consumption. There is also the so-called tertiary sector, which is made of municipal and state buildings with a minor total heat consumption of about 1 %.

It should be noted that 65–70 % of energy is used for heating needs, and 30–35% for hot water preparation. In Latvia, heat of DH consumers is produced both in boiler houses (hereinafter – BHs) and cogeneration plants (hereinafter – CHPs). The latter also produce electricity. Over the past 10 years, the distribution of heat produced in BHs and CHPs has changed significantly. The heat supply of the Latvian energy sector is a system consisting of three main elements – heat source, transmission and distribution networks, and end consumer. Low efficiency of heat supply system elements creates risks to security of heat supply, resource sustainability and competitiveness. Increasing energy efficiency in the system as a whole, or in individual elements of the system, will promote the enhancement of the heat supply sector, while promoting economic growth as well. The research attempts to evaluate the energy efficiency of DH systems in the so-called left bank (hereinafter – LB) DH area (located on the left bank of the Daugava River in Riga).
Importance of Spectrum Management in Radio Astronomy
Authors: Kallunki J. , Bezrukovs V. , Madkour W. , Kirves P.
Published: June 2022

The increasing terrestrial and space-borne communications are causing major problems to the radio astronomy observations. Only a minor part of the frequencies is allocated to the passive services, such as Radio Astronomy Services (RAS). There are only a few, relatively narrow frequency bands below 20 GHz, which are still suitable for the radio astronomical observations. In addition, Out-of-Band (OoB) emissions will be a real threat to the observations on these bands. On behalf of all European radio astronomers, the Committee on Radio Astronomy Frequencies (CRAF) of the European Science Foundation (ESF) coordinates activities to keep the frequency bands used by radio astronomy and space sciences free of interference. Along with interference caused by active radio communication services, the local electronic device selection should be considered in the observatories. For instance, more common LED based lamps could cause harmful interference for the observations. Thus, it is very important to perform continuous radio frequency interference (RFI) monitoring locally, in each radio observatory.
Relationship Between Solar Millimeter and Soft X-Ray Emissions
Authors: Kallunki J. , Tornikoski M.
Published: June 2022

The connection between solar radio and soft X-ray emission has earlier been studied at various radio frequencies. For instance, the intensity peak times during solar flares have been compared between these two wavelength regimes. It has been reported that solar radio emission peaks before soft X-ray emission during a flare. However, opposite results have also been presented. In this study, we compare millimetre (8 mm) solar and soft X-ray emissions (0.5–4 Å and 1–8 Å). The radio observations were made at Metsähovi Radio Observatory of Aalto University in Finland between 2015 and 2019. The soft X-ray data were observed with GOES-15 (Geostationary Operational Environmental Satellite). The data show that the solar millimetre emission can peak either before or after soft X-ray peak emission. In this study, we present two different scenarios, which could explain the peaking time differences and behaviour. The first scenario proposes a tight connection between the millimetre (8 mm) and soft X-ray emissions, the second one is for cases where the emission mechanisms are more separate.
Subject Raising in Chinese Modal Auxiliary Verb Constructions: A-movement or A′-movement?
Authors: Hu Bo , Chen Hong
Published: June 2022

Subject raising in Chinese modal auxiliary verb constructions can be either A-movement or A′-movement. Modal auxiliary verbs such as hui and yao can take a nonfinite TP complement which cannot value the abstract case of the embedded subject. Hence the embedded subject must get its case valued by the matrix T and is raised to the Spec-TP of the matrix clause. This kind of raising is A-movement and is obligatory. Modal auxiliary verbs such as keneng and yinggai take a finite CP complement that can be assigned tense value by the broader context. The embedded subject can get its case valued and stay in situ. It can also be raised to the sentence-initial position by topicalization. This kind of raising is A′-movement. The A-movement and A′-movement contrast accounts for the minimal link condition in object raising, weak and strong quantificational NPs, topic stacking, and resumptive pronouns in Chinese modal auxiliary verb constructions.
POSSIBILITIES OF FLAX FLOUR AND FLAX SEEDS APPLICATION FOR DEVELOPMENT OF FLOUR CONFECTIONERY PRODUCTS
Authors:   Moscow State University of Food Production, Aleshkina S.V. , Vasyukova A.T. ,   Moscow State University of Food Production
Published: June 2022

The article is devoted to the study of flax seed flour for flour confectionery products. The goal of the study is to carry out a comparative assessment of the quality of flax flour and flax seed with wheat flour for use in technologies of flour confectionery products. Flax flour is 1.7 times more rich in protein, 32 times more in fat but 2 times less in carbohydrates. However, it has almost 8 times as much dietary fibre, which characterises it as a functional product. Flax meal is also dif-ferentiated from wheat flour by its vitamin composition. This is especially true for the B vitamins. Of fat-soluble vitamins - vitamin K should be noted. Of the micronutrients a great saturation of potassium, calcium, magnesium, iron, manganese, copper, selenium and phosphorus. The amino acid composition favourably distinguishes flax meal from the highest grade of wheat flour by the presence of a high concentration of the essential amino acids: arginine, valine, leucine, lysine, me-thionine, threonine, tryptophan, phenylalanine, histidine and isoleucine. A comparative analysis of the chemical composition of two types of flour: high-grade wheat flour and linseed flour shows the potential possibility to use linseed flour for the production of flour confectionery products made of shortbread dough, which can be recommended as functional foodstuffs.
WHEAT GERM FLOUR IN THE TECHNOLOGY OF FLOUR CONFECTIONERY PRODUCTS
Authors:   Ural State University of Economics, Lesnikova N.A.
Published: June 2022

The article considers the use of wheat germ flour (WGF) to increase the nutritional value and im-prove the quality of butter biscuits. Wheat germ is a by-product of flour milling. Wheat germ flour contains vitamins B, A, E, magnesium, potassium, manganese, phosphorus, phospholipids, phytosterols, polyunsaturated fatty acids, essential amino acids. Studies have been carried out on the effect of various dosages of wheat germ flour on the water absorption capacity of wheat flour, on the rheological properties of shortcrust pastry and finished products, on the organoleptic and physico-chemical parameters of butter biscuits, as well as on the mass fraction of fiber in the fin-ished biscuits. The introduction of wheat germ flour into the biscuit recipe increases the water ab-sorption capacity of wheat flour, and the rheological properties of the dough change towards an increase in elastic properties. A recipe for butter biscuits has been developed with the addition of 9% wheat germ flour to the mass of flour due to the dry matter of all raw materials. This sample has the best commercial and consumer properties. The physicochemical parameters of such a product differ from the control sample by increased by 2.0% mass fraction of total sugar, 1.3% mass fraction of fat, 0.1% mass fraction of total ash, 1.0% mass fraction of fiber and 6.0% wetta-bility. The optimal sample has twice the maximum static and dynamic stresses compared to the control, which leads to less brittleness and brittleness during transportation of products.
NEW VARIETIES OF ANNUAL FLOWERING PLANTS FOR LANDSCAPING POPULATED AREAS OF THE SUBARCTIC
Authors:   Polar-Alpine Botanical Garden-Institute of Kola Science Centre of the Russian Academy of Sci-ences, Svyatkovskaya E.A. , Saltan N.V. ,   Polar-Alpine Botanical Garden-Institute of Kola Science Centre of the Russian Academy of Sci-ences, Umanets M.S. ,   Polar-Alpine Botanical Garden-Institute of Kola Science Centre of the Russian Academy of Sci-ences
Published: June 2022

New cultivars Callistephus chinensis (cultivar 'Benary´s Princess'), Antirrhinum majus (cultivar 'Legend'), Petunia hybrida grandiflora (cultivar 'Prism') were tested for the first time in Subarctic conditions. It was shown that the above varieties had a high decorative effect and resistance in the Murmansk region. The duration of flowering in the studied annual plants ranged from 60 days (Callistephus chinensis) up to 98 days (Petunia hybrida grandiflora), which indicates the success-ful adaptation of plants, since the growing season in the conditions of the Kola Arctic is from 90 to 115 days. According to a number of indicators (height, number of flowers, diameter of flowers and inflorescences), a slight lag behind plants grown in more southern regions was revealed. Man-datory 3-4-week hardening and regular fertilization both at the stage of seedlings and adult plants were singled out from the features of the agricultural technology of the tested varieties. To im-prove the aesthetic side, it is recommended to carry out a more dense planting of annual plants (70 pcs/m2, at a rate of 47 pcs/m2). The new varieties were promising for flower decoration of popu-lated areas of the Kola North.
Conceptual foundations for designing a human resource management system in the field of physical culture and sports at the regional level
Authors: Mamadiev Alik Khozhakhmetovich , Khazova Snezhana Aleksandrovna
Published: June 2022

The purpose of the study is to determine the totality and content of key methodological approaches as conceptual foundations for designing the process of improving human resources of physical culture and sports. The article discusses the key provisions of resource, regional, functional, optimization; attention is focused on the concretization of the immanent principles of these approaches in relation to the problem of optimal management of human resources of physical culture and sports in the regional aspect. The scientific novelty lies in the determination of the methodological contribution to the design of the concept of human resources management of physical culture and sports at the regional level of four basic approaches and their pairwise integration. As a result, the methodological contribution of the basic approaches to the developed concept was revealed and the key importance of their pairwise integration as target, meaningful, methodological guidelines for management was determined.
Pedagogical interpretation of the concept "contemporary art"
Authors: Solovtsova Irina Afanasievna , Shipitsin Anton Igorevich
Published: June 2022

The purpose of the study is to identify the pedagogical component of the concept "contemporary art", which is a necessary condition for the using contemporary art for solving problems in spiritual and moral education of students. The article describes the main approaches to understanding the category of "contemporary art" and shows how these approaches are reflected in the minds of teachers, class supervisors, and teachers of additional education. The scientific novelty of the research lies in the definition of the pedagogical component of "contemporary art". As a result of the study, formal and substantive approaches to the interpretation of the category "contemporary art" are identified and it is determined the teachers specificity of educational potential of contemporary art, depending on the approach from which the teacher evaluates works of contemporary art.
Practical application of innovative technologies in foreign language classes for engineering students
Authors: Filonchik Olga Aleksandrovna , Ryzhova Svetlana Valerievna , Kokorina Svetlana Vyacheslavovna
Published: June 2022

The purpose of the study is to consider the theoretical aspects of innovative education, as well as to analyze the practical application of innovative technologies in foreign language classes for students of engineering specialties. The article notes that innovative educational technologies are based on three interrelated components: competence-based approach; modern teaching methods; modern learning infrastructure. Scientific novelty lies in an attempt to analyze the innovative practice of teachers and determine the main advantages of innovative technologies in teaching a foreign language to students of technical universities. As a result, such advantages of these technologies were identified as the development of all types of speech activity of students, an individual approach to learning, an increase in motivation for learning a language, the ability to express oneself creatively, the formation of a personality capable of solving professionally oriented tasks.
The results of experimental work on the formation of spiritual and moral qualities of military personnel under the contract of the Russian Aerospace Forces
Authors: Shidov Albert Zalimovich
Published: June 2022

The purpose of the study is to reveal the stages and content of experimental work on the spiritual and moral education of contract servicemen in the army environment. The article focuses on the presence of certain patterns in the assimilation of spiritual and moral qualities by contract servicemen, which formed the basis of the tested method of spiritual and moral education. The scientific novelty lies in the substantiation and experimental verification of the methodology for the spiritual and moral education of contract servicemen in the socio-cultural army environment, based on the consistent formation of the ideals and values of their centuries-old domestic and military culture. As a result of the study, a positive dynamics of the level of formation of spiritual and moral qualities among contract servicemen at the control stage was revealed, which proves the effectiveness of the developed methodology.
Priority directions of realization of educational functions of physical culture and sports within the educational process of the University
Authors: Yaroshenko Evgeniya Valeryevna , Zhuravleva Yulia Ivanovna , Magomedsadykov Magomed Abdulatipovich
Published: June 2022

The purpose of the study was to experimentally test and establish the degree of effectiveness of strategic directions for the application of the educational potential of physical culture within the educational process of the university. The scientific novelty lies in the justification of the need for the introduction of educational functions and their implementation within the discipline: "Elective courses in physical culture and sports". The adequacy of the methods used allowed us to obtain reliable results indicating the confirmation of the hypothesis put forward by us and the achievement of the set research goal, which assumes a high degree of efficiency of introducing scientifically based and presented strategic directions of the application of educational functions of physical culture into the educational process of the university. As a result, the proposed strategic directions can be used in the educational process of any university, within the framework of which the program "Elective courses in physical culture and sports" is being implemented.
A Green and Efficient NH4OAc-catalyzed Synthesis of 2-Hydroxy-3-(arylmethyl)(4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-1,4-naphthoquinones
Authors: Giang Le Nhat Thuy , Anh Dang Thi Tuyet , Thanh Nguyen Ha , Phuong Hoang Thi , Anh Nguyen Tuan , Giang Nguyen Thi Quynh , Ha Vu Thi Thu , Tuyen Nguyen Van
Published: June 2022

The green and efficient approach for synthesis of 2-hydroxy-3-(arylmethyl)(4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-1,4-naphthoquinones starting from 2-hydroxy-1,4-naphthoquinone, tetronic acid, and aromatic aldehydes was developed. These reactions were carried out in ethanol under microwave irradiation in the presence of ammonium acetate as catalyst. These multicomponent domino reactions presumably occur via NH4OAc-catalyzed Mannich reaction - Michael addition - hydration - tautomerism - elimination sequence of reactions.
Chemical Composition of Euphorbia Hirta L. collected in Dan Phuong, Hanoi
Authors: Loc Tran Van , Ninh Pham Thi , Luu Nguyen Thi , Chien Tran Van , Anh Tran Tuan , Dung Nguyen Thi , Thao Tran Thi Phuong
Published: June 2022

During the screening for biological active compounds from the medicinal plant, a species of Euphorbia hirta L. collected from Dan Phuong-Hanoi was utilized for its phytochemical study. From the n-butanol extract, eight compounds, including nonacosan-1-ol (1); β-sitosterol (2); β-sitosterol glucoside (3); quercetin (4); nicotiflorin (5); rutin (6); afzelin (7) and quercitrin (8) have been isolated. Their structures were determined by analysis of IR, MS and NMR (1D and 2D) spectroscopy as well as by comparison with published data.
Análisis de jingles publicitarios de los 80’s y 90’s mediante computación afectiva
Authors: Chanchí Golondrino Gabriel Elías , Ospina Alarcón Manuel Alejandro , Monroy Ríos Martín Emilio
Published: June 2022

Uno de los medios más difundidos dentro del campo del marketing para promocionar productos, servicios y marcas son los jingles publicitarios, los cuales corresponden a mensajes publicitarios hechos canción, cuya letra y música han sido creada para promover un anuncio o campaña. Así, los jingles publicitarios aprovechan las ventajas provistas por la música para generar emociones positivas en los potenciales clientes, además de la capacidad de recordar un producto o marca. Dado que se han evidenciado pocos trabajos que se centren en el estudio musical y emocional de los jingles publicitarios, en este artículo se hace uso de las ventajas provistas por la computación afectiva para el estudio de la emocionalidad de la música de un conjunto de jingles publicitarios populares de la década de los 80’s y los 90’s, teniendo en cuenta las propiedades acústicas de excitación y valencia. Para la conducción de esta investigación, se desarrolló una herramienta denominada ANEJIP (Analizador de Emociones en Jingles Publicitarios), la cual posibilita la segmentación de un audio en diferentes fragmentos que posterior mente se les extrae las propiedades acústicas de arousal y valence, que a su vez permiten determinar la emoción asociada a cada fragmento dentro del modelo circunflejo o modelo de Russell. Este estudio pretende servir de referencia en cuanto al diseño y evaluación de contenidos musicales asociados a jingles publicitarios de cara a estimular el desarrollo de emociones específicas en los potenciales clientes.
ANALYSIS IMPLEMENTATION OF NATIONAL FINANCIAL INCLUSION STRATEGY CONNECTED WITH SHARIA FINANCIAL INCLUSION
Authors: Komarudin Munir Nur , Nugraha Nugraha , Harjadi Dikdik , Oktaviani Fany
Published: June 2022

ABSTRACT          The purpose of this research is to know the effect of financial education, community property rights, intermediation facilities and financial distribution channels, financial services to the government sector and consumer protection to Islamic financial inclusions. The sampling technique useda random sampling method and thesample isobtained 100 respondents. The independent variables (x) include: financial education, communityproperty rights, intermediation facilities and financial distribution channels,financial services in the government sector and consumer protection. This research used a quantitative approach with descriptive and verification methods and methods ofdata analysis using multiple linear regression analysis.The result of this study indicate that the implementation a five pillars of SNKI (The national strategy of financial inclusion) has a positiveand significant impact on Islamic financial inclusion, it’s mean that if the implementation a five pillars of SNKI had increased automatically the Islamic financial inclusion would be increased. Key Words:         Financial Education, Community Property Rights, Intermediation Facilities and Financial Distribution Channels, Financial Services to the Government Sector Consumer Protection and Islamic Financial Inclusion
ESTIMATION OF THE STAGE OF CARBONIZATION OF ORGANIC MATTER OF KUZBASS SAPROMIXITES
Authors: Рокосов Ю.В. , Рокосова Н.Н. , Горюнова П.В. , Рокосова В.Ю. , Романова Т.А.
Published: June 2022

Цель исследования заключалась в определении стадии карбонизации органического вещества сапромикситов (липтобиолитов) Кузбасса, исходя из занимаемого ими места на диаграммах относительного распределения образцов сапропелитов, включающих органическое вещество разной степени карбонизации, в зависимости от содержания углеводородов, нейтральных и кислых гетероатомных соединений, образующихся в процессе термогидролиза. Авторы пришли к выводу, что согласно расположению этих сапромикситов на диаграммах относительного распределения образцов с органическим веществом разной степени карбонизации в зависимости от содержания фракций основных соединений, образующихся при термогидролизе, стадия карбонизации их органического вещества длиннопламенная.

The purpose of the study was to determine the stage of carbonization of the organic matter of Kuzbass sapromixites (liptobiolites), based on their place on the diagrams of the relative distribution of sapropelite samples, including organic matter of different degrees of carbonization, depending on the content of hydrocarbons, neutral and acidic heteroatomic compounds formed during thermal hydrolysis. The authors came to the conclusion that according to the location of these sapromixites on the diagrams of the relative distribution of samples with organic matter of different degrees of carbonization, depending on the content of fractions of the main compounds formed during thermal hydrolysis, the stage of carbonization of their organic matter is long-flame.
Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Small Molecular Systems
Authors: Li Jun , Liu Yang
Published: June 2022

We provide careful discussions and considerations on data quality, data sampling and data fitting for developing full-dimensional accurate potential energy surfaces with ample interpretative examples, centering on accuracy, efficiency, and generality.
Reaction dynamics of Diels-Alder reactions from machine learned potentials
Authors: Young Tom , Johnston-Wood Tristan , Zhang Hanwen , Duarte Fernanda
Published: June 2022

Recent advances in the development of reactive machine-learned potentials (MLPs) promise to transform reaction modelling. However, such methods have remained computationally expensive and limited to experts. Here, we employ different MLP methods (ACE, NequIP, GAP), combined with automated fitting and active learning, to study the reaction dynamics of representative Diels-Alder reactions. We demonstrate that the ACE and NequIP MLPs can consistently achieve chemical accuracy (± 1 kcal mol−1) to the ground-truth surface with only a few hundred reference calculations. These strategies are shown to enable routine ab initio-quality classical and quantum dynamics and obtain dynamical quantities such as product ratios and free energies from non-static methods. For ambimodal reactions, product distributions were found to be strongly dependent on the QM method and less so on the type of dynamics propagated.
A new generation high-performance supercapacitor engaging redox property of solvent-electrolyte (Ionic Liquid)
Authors: Jain Preeti , Mehra Palak , Paul Amit
Published: June 2022

A proof of concept to enhance the specific capacitance and energy density of a supercapacitor has been demonstrated wherein reversible 1e- transfer redox chemistry of cations of ionic liquids ([EMIM][EtSO4] and [MIM][HSO4]) which acted as both solvent and electrolyte has been utilized. Outstanding specific capacitance and energy densities in the range of 420-710 F/g and 580-920 Wh/kg, respectively, have been obtained for carbon-based nanomaterials.
Quantifying energetic information in density functional theory
Authors: Liu Shubin
Published: June 2022

Energy and information are two fundamental concepts in physics and chemistry. In density functional theory (DFT), all information pertaining to stability, reactivity, and other properties is encompassed in the ground state electron density. The basic theorems of DFT govern that energy is a universal functional of the density and thus it can be regarded as a special kind of information. In this work, we quantify the energetic information in terms of Shannon entropy and Fisher information for energetic distributions of atoms and molecules. Two identities are unveiled for the energetic density, its gradient and Laplacian to rigorously satisfy. A new partition scheme to decompose atoms in molecules has been proposed using the energetic distribution. We also show that our approach can simultaneously quantify both two-body and many-body interactions. This new framework should provide us with new analytical tools to appreciate electronic properties of molecular systems including stability and reactivity. More importantly, this work establishes the missing link in DFT between energy and information, the two most fundamental quantities in quantum theory.
Virtual Research Group Modules: Scalable Simulations of STEM Research
Authors: Tousley Marissa , Dyer Ariana , Grzenda Michael , Kovacevich Dylan , Singer Jonathan
Published: June 2022

Laboratory research experiences can be an important part of the training process for STEM professionals, but barriers exist that can prevent broad access to these opportunities. Virtual Research Group (VRG) modules, which use data curated from the scientific literature to simulate aspects of the research process, provide a scalable alternative to traditional in-lab research experiences. Here we describe the general concept of VRG modules and the implementation of a VRG module focused on block copolymers in both a high school outreach program and an undergraduate materials science course. Through qualitative and quantitative data analysis of student post-survey responses, we demonstrate that VRG modules effectively simulate many of the attributes of traditional research experiences. We also compare student experiences when VRG modules are offered in three different formats: (i) competitive in-person, (ii) competitive virtual, and (iii) collaborative virtual. Finally, we demonstrate that VRGs can be applied to topics other than block copolymers through implementation of a VRG module on bulk metallic glass.
Emergence of layered nanoscale mesh networks through intrinsic molecular confinement self-assembly
Authors: Sun Zehao , Liu Runze , Su Tingyu , Huang Hejin , Kawamoto Ken , Liang Ruiqi , Liu Bin , Zhong Mingjiang , Alexander-Katz Alfredo , Ross Caroline A. , Johnson Jeremiah A.
Published: June 2022

Block copolymer self-assembly is a powerful tool for 2D nanofabrication; however, its extension to complex 3D network structures, which would be useful for a range of applications, is limited. Here, we report a simple method to generate unprecedented 3D mesh morphologies through intrinsic molecular confinement self-assembly. We designed triblock bottlebrush polymers with two Janus domains: one perpendicular and one parallel to the polymer backbone. The former enforces a lamellar superstructure that intrinsically confines the intra-layer self-assembly of the latter, giving rise to a mesh-like monoclinic M15 network substructure with excellent long-range order. Dissipative particle dynamics simulations show that the spatial constraints exerted on the polymer backbone drive the emergence of M15, as well as a tetragonal T131 in the strong segregation regime. This work demonstrates intrinsic molecular confinement as a path to bottom-up assembly of new geometrical phases of soft matter, extending the capabilities of block copolymer nanofabrication.
Passive Permeate-Side-Heated Solar Thermal Membrane Distillation: Single-Stage Tubular and Multistage Planar Systems
Authors: Sujon Shahin Ahmed , Yi Peng
Published: June 2022

Scarcity of drinking water is a global problem and especially serious in rural areas of developing countries. Passive permeate-side-heated interfacial-heating solar membrane distillation has been shown recently as a promising system for off-grid distributed water and wastewater treatment. In this study, single-stage tubular systems were developed by giving the poly(vinylidene fluoride) (PVDF) membrane (pore size: 0.45 µm) a tubular structure with the outer surface (i.e., the permeate side) coated with carbon black NPs which absorbed solar thermal energy and evaporated the feedwater inside the membrane tube. Under natural sunlight, the vertical tubular system had a production rate of distilled water per footprint as 0.67‒2.06 kg/(m2·day) throughout the year, 71% higher than the single-stage planar system on average. The three-stage planar systems were developed by overlapping three single-stage modules. Two adjacent modules shared a common copper sheet that serves as both the top of condensation chamber of the preceding stage and the bottom of the feedwater chamber of the following stage. The copper sheet can partially transfer the condensation heat of the preceding stage to the feedwater of the following stage, thus enhancing the system energy efficiency (ƞsys) in producing distilled water. The ƞsys and distillate flux of the three-stage systems were 62% and 5.01 kg/(m2·day) at the average daytime irradiance of 422 W/m2, 34% higher than the single-stage systems.
Role of Titanium and Organic Precursors in Molecular Layer Deposition of “Titanicone” Hybrid Materials
Authors: Muriqi Arbresha , Nolan Michael
Published: June 2022

The development of hybrid inorganic-organic films with well-controlled properties is important for many applications. Molecular layer deposition (MLD) allows the deposition of these hybrid films using sequential, self-limiting reactions, similar to atomic layer deposition (ALD). In this paper, we use first principles density functional theory (DFT) to investigate the growth mechanism of titanium-containing hybrid organic-inorganic MLD films, known as “titanicones”. We investigate in detail the chemistry between the most common Ti precursors, namely titanium tetrachloride (TiCl4) and tetrakis(dimethylamido)titanium (Ti(DMA)4,) and ethylene glycol (EG) and glycerol (GL) as the organic precursors. We analyse the impact of the substrate on the initial MLD reactions in titanicone film growth using three different surface models: anatase TiO2, rutile TiO2 and Al2O3. Calculated energetics show that while TiCl4 is reactive towards the anatase and rutile TiO2 surfaces, it is not reactive towards the Al2O3 surface. Ti(DMA)4 is reactive towards all surfaces. This is attributed to the stronger Ti-Cl bonds in TiCl4 compared to Ti-N bonds in Ti(DMA)4. Ti(DMA)4 also shows high reactivity to the organics compared to TiCl4. Double reactions of EG and GL with the TiCl3 species from TiCl4 and TiDMA species from Ti(DMA)4 are also explored to better understand the origin of the different thicknesses of EG-titanicone and GL-titanicone films observed in experimental work. We find that EG and GL coupled with TiCl4 can orient in a flat lying configuration on anatase while on rutile, the preferred orientation is upright. When combined with Ti(DMA)4, EG and GL prefer the flat lying configuration on all surfaces. This work shows that the choice of the surface and the metallic precursor has a major impact on the behaviour of organic species. DFT findings provide motivation to develop a low temperature rutile TiO2/titanicone film suggesting that the desired film growth could be achieved.
Low Passthrough from Inflation Expectations to Income Growth Expectations: Why People Dislike Inflation
Authors: Hajdini Ina , Knotek Edward S. , Leer John , Pedemonte Mathieu O. , Rich Robert W. , Schoenle Raphael S.
Published: June 2022

Using a novel experimental setup, we study the direction of causality between consumers’ inflation expectations and their income growth expectations. In a large, nationally representative survey of US consumers, we find that the rate of passthrough from expected inflation to expected income growth is incomplete, on the order of 20 percent. There is no statistically significant effect going in the other direction. Passthrough varies systematically with demographic and socioeconomic factors, with greater passthrough for higher-income individuals than lower-income individuals, although it is still incomplete. Higher inflation expectations also cause consumers to report a higher probability that they will search for a new job that pays more. Using our survey findings to calibrate a search-and-matching model, we find that dampened responses of real wages to demand and supply shocks translate into greater fluctuations in output. Taken together, the survey results and model exercises provide a labor market channel to explain why people dislike inflation.
Textbooks and Students’ Knowledge
Authors: Japelj Pavešić Barbara , Cankar Gašper
Published: June 2022

In Slovenia, textbooks are an integral part of the curriculum. Nationally certified textbooks guarantee both teachers and students that they provide all of the necessary knowledge in each subject. There are many available certified textbooks for each subject and teachers must decide which will be the source of instruction for their students. Our research question is whether groups of students who use different textbooks as their mandatory learning resource differ in their knowledge and their attitudes towards learning. We linked existing data from several sources and explored the scope of the use of different textbooks for mathematics and science subjects in primary schools. Data on student knowledge measured independently by National Assessments (and the Trends in International Mathematics and Science Study were used, and differences in knowledge and attitudes to learning between students who are taught using different textbooks were explored. Although the study has considerable limitations due to missing data, the results of the analyses indicate some profound differences in knowledge and attitudes between groups of students using different textbooks. These findings could serve as a guide for teachers when choosing the optimal available textbook for their students and, even more so, as support for improving the criteria in the national system of validation of textbooks in the future. The link between the use of textbooks and student learning outcomes also highlights the need to systematically collect information on the use of textbooks among students and follow the effects on achievement in order to improve the quality of future textbooks.
Textbooks and Teaching Materials in Rural Schools: A Systematic Review
Authors: Carrete-Marín Núria , Domingo-Peñafiel Laura
Published: June 2022

This paper presents the results of a research project whose main purpose is to analyse the concept of multigrade teaching resources and the teaching materials used by teachers in rural schools, in particular the role of textbooks. The use and dimensions of teaching materials are studied in order to promote inclusion and learning in multigrade classrooms with children of different ages mixed together. The present systematic review aims to identify and analyse all of the research papers published internationally on teaching resources in rural schools for the Web of Science and Scopus databases (from 1992 to 2021) and Google Scholar (between 2010 and February 2021). Due to the dearth of publications focused on the topic of study, the reviewed articles have broad inclusion and exclusion criteria. This gives relevance and an innovative character to the research, allowing us to objectify the state of the question on multigrade didactic materials and their relation to teaching-learning processes. From a total of 332 research papers in the field of rural multigrade teaching identified for further analysis, only papers that met the inclusion and exclusion criteria and passed all phases of the PRISMA flow diagram were used (N = 33). Some research publications contributed to identifying opportunities and needs, and to suggesting criteria to be taken into account for the selection and creation of materials to promote inclusion and active learning methodologies. The first results show the need to create one’s own materials that analyse the reality of these schools, as well as the need to personalise and adapt printed or digital textbooks and other teaching materials in order to involve the students actively in the learning process and to respond to the needs of rural students in multigrade classrooms.
Automatic Sentiment Classification of News Using Machine Learning Methods
Authors: Wang Yuhan
Published: June 2022

With the rapid development of social economy, the society has entered into a new stage of development, especially in new media under the background of rapid development, makes the importance of news and information to get the comprehensive promotion, and in order to further identify the positive and negative news, should be fully using machine learning methods, based on the emotion to realize the automatic classifying of news, in order to improve the efficiency of news classification. Therefore, the article first makes clear the basic outline of news sentiment classification. Secondly, the specific way of automatic classification of news emotion is deeply analyzed. On the basis of this, the paper puts forward the concrete measures of automatic classification of news emotion by using machine learning.
Research on Handwritten Chinese Character Recognition Based on BP Neural Network
Authors: Ning Zihao
Published: June 2022

The application of pattern recognition technology enables us to solve various human-computer interaction problems that were difficult to solve before. Handwritten Chinese character recognition, as a hot research object in image pattern recognition, has many applications in people’s daily life, and more and more scholars are beginning to study off-line handwritten Chinese character recognition. This paper mainly studies the recognition of handwritten Chinese characters by BP (Back Propagation) neural network. Establish a handwritten Chinese character recognition model based on BP neural network, and then verify the accuracy and feasibility of the neural network through GUI (Graphical User Interface) model established by Matlab. This paper mainly includes the following aspects: Firstly, the preprocessing process of handwritten Chinese character recognition in this paper is analyzed. Among them, image preprocessing mainly includes six processes: graying, binarization, smoothing and denoising, character segmentation, histogram equalization and normalization. Secondly, through the comparative selection of feature extraction methods for handwritten Chinese characters, and through the comparative analysis of the results of three different feature extraction methods, the most suitable feature extraction method for this paper is found. Finally, it is the application of BP neural network in handwritten Chinese character recognition. The establishment, training process and parameter selection of BP neural network are described in detail. The simulation software platform chosen in this paper is Matlab, and the sample images are used to train BP neural network to verify the feasibility of Chinese character recognition. Design the GUI interface of human-computer interaction based on Matlab, show the process and results of handwritten Chinese character recognition, and analyze the experimental results.
The Ethical and the Metaphysical Will in the Early Wittgenstein (and Beyond)
Authors: Gómez-Alonso Modesto
Published: June 2022

In the Notebooks 1914-1916, Wittgenstein engages himself in a dialogue with Schopenhauer’s project —one that Wittgenstein makes his own— of substituting an immanent metaphysics of human experience for the transcendent metaphysics discredited by Kant’s critique, and thus for finding a path that would be able both of capturing the reality of human agency and of staying away from the kind of self-alienation that appears to be the necessary consequence of philosophical reflection. Wittgenstein’s reflections on the ethical and the metaphysical will are instrumental to bring this project to successful completion. However, I will go well beyond Wittgenstein’s early work in order to elucidate what strikes me as the solution provided by the late Wittgenstein (mainly, in On Certainty) to two problems that the Notebooks and the Tractatus left unanswered. On the one hand, there is the question about whether the agreement between agency and passivity is possible—namely, about how to come to see the friction of the world not only as something that is, but rather as something that ought to be. On the other, there is the problem of how to make of ethical subjectivity and metaphysical subjectivity two constitutively co-related aspects of the same transcendental subjectivity.