Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular Transistor Based on the Biphenyl Substituents

We investigate the physical processes in the molecules, which have properties required in case of using as molecular switches, transistors, or other electronic elements of future computers. Studies shows that in the molecules of substituted biphenyls the angle between the planes of the phenyl rings depends on the magnitude of the applied external electric field. It significantly changes the ability of electrons to move along the long axis of the molecule. By varying the nature of the substituents, we can obtain the molecule characteristics that make these molecules promising for future using. of nitro groups from the axis of biphenyl using the neutral phenyl (R2-biphenyl) insert leads to decreasing of the angle between the phenyl fragments from 90o to 82o. However, in the uniform external field E = 0.02 a.u. the additional angle of about 20o appears, ensuring opportunity of using of this molecule as in the mode of switcher and in the mode of the field effect transistor. The molecule is sensitive only to positive polarity of the electric field, which increases the magnitude of the negative charge on the nitro group. 4. Replacement of the substituent R2 by R3, which contains the active atoms that are able to control the angle between the phenyl fragments, assists to establish the initial angle close to 90 o and increase the value of this angle regardless of the polarity of a uniform electric field. Of all the tested substituents in molecule biphenyl the substituent R3 provide the greatest sensitivity of the molecule to the electric field, allowing the use of this molecule in the mode of the field effect transistor with the field values ~ 0.01 a.u. 90o Elements of electric circuits of electronic devices, including computers, have a tendency to miniaturization down to molecular dimensions. This paper presents the results of research of a biphenyl molecule as a molecular model of the transistor, certain modes of its work, including the switch mode. With the use of quantum chemical methods it was investigated the affect of uniform and nonuniform, the transverse and longitudinal electric fields on the process of an electron transfer through the molecule.
Process integration studies on Kraft pulp-mill-based biorefineries producing ethanol

Large scale, sustainable production of biofuels will require commercialization of processes using lignocellulosic feedstocks. These processes are still not competitive with existing pathways, however. The competitiveness of lignocellulosic biofuel production plants could potentially be improved if they were integrated with already existing facilities. One such example being explored currently is connected to the fact that the pulping industry is showing a growing interest in expanding their product portfolio, namely the complete or partial conversion of pulp mills into biorefineries for production of transport fuels. The objective of the work presented in this thesis has been to study different potential biorefinery concepts connected to chemical pulping, and more specifically the Kraft pulping process. Three different process combinations have been assessed in the project; a process where a Kraft pulp mill is repurposed to ethanol production (no pulp is produced), a process where ethanol and dimethyl- ether is produced in a repurposed Kraft pulp mill, and finally a process where an ethanol plant is co-located with a modern Kraft pulp mill. The findings from the studies reveal that an increasing degree of heat integration leads to a lower production cost of ethanol both if the ethanol plant is based on a repurposed mill and if the plant is co-located with a modern mill. In the ethanoland di-methyl-ether process, which has much higher conversion efficiency from feedstock to biofuel than the other processes, it was shown that the process could be competitive with the other combinations in terms of production cost, if the biofuel price is high and if the biorefinery is perceived as a low risk investment.
Market Size and Entry in the Swiss Grocery Retail Industry

This paper empirically examines the business-stealing effect of store entry in the Swiss grocery retail industry. A uniquely spatially detailed dataset of all Swiss retail stores and residents is constructed, that captures important drivers of demand and competition with great detail. I employ Entropy Balancing to control for systematic differences across local markets and provide non-parametric estimates of local entry effects. I find that markets for grocery retailing stores are highly localized in a tight 4 kilometer radius. Larger retailing stores react more on the intensive margin to entry and contract their employment hours and numbers, while smaller stores are particularly impacted on the extensive margin. In addition, I find evidence that the local market size for a small store is smaller than for a large store.
Interactive comment on “ Polycyclic aromatic hydrocarbons in the atmosphere of two French alpine valleys : Temporal trends and examination of sources ” by N .

The authors present data of particle bound atmospheric PAHs in addition to other atmospheric parameters like NO, NO2, EC/OC, PM10. Several sampling campaigns on 12h to 24h basis took place during summer and winter, one week each. The samples were collected during closure of the ŞTunnel du Mont-BlancŤ, a second survey will take place, when the tunnel is opened for traffic. The fundamental data for the total investigation are discussed in correlation to meteorological and emission factors.
Relationship Marketing Practices and Customer Loyalty: Evidence from the Banking Industry in Ghana

The present competitive landscape in Ghana’s banking industry has accentuated the need for effective management of relationships as a customer retention strategy. The objective of this study is to explore the relationship between Relationship Marketing (RM) and customer loyalty in Ghana’s banking industry. In order to achieve the objective of the study, data was collected using questionnaires from 247 relationship marketing staff of universal banks in Ghana. Reliability test and multiple regression analysis were carried out using Statistical Package for Social Sciences (SPSS). The study found that the six RM constructs cumulatively had significant positive effect on customer loyalty. Individually, competence, commitment and communication were found to be significant drivers of customer loyalty. The study recommends that banks desirous of achieving customer loyalty and retention should consider RM as a strategy since it effective practice leads to customer loyalty. In addition, top management must demonstrate genuine commitment and active involvement in relationship marketing issues. Key words: Banking industry, Customer loyalty, Ghana, Relationship marketing
Analysis of Enzymatic Degradation of Cellulose Microfibrils using Quantitative Surface Plasmon Resonance Imaging

ANALYSIS OF ENZYMATIC DEGRADATION OF CELLULOSE MICROFIBRILS BY QUANTITATIVE SURFACE PLASMON RESONANCE IMAGING Kyle Reiter Advisor: University of Guelph, 2012 John Dutcher Cellulose is the most plentiful biopolymer on the planet, and as such, is a large potential energy source. Converting cellulose into ethanol first requires the disruption of the crystallinity of cellulose fibers and subsequent hydrolysis into glucose. The glucose can then be fermented, producing ethanol. The conversion of cellulose fibers to glucose is an energy intensive and costly step, which is a barrier to industrial production of cellulosic ethanol. The use of enzymes to facilitate this conversion is a promising approach. In the present study, the action of individual enzymes and combinations of enzymes from the Hypocrea jecorina secretome on bacterial cellulose fibers has been studied, to better understand their individual and synergistic action. I have used a custom Surface Plasmon Resonance imaging (SPRi) device to measure changes in the thickness of cellulose fiber coverage of a thioglucose-functionalized gold substrate upon exposure to enzymes. The cellulose fibers were deposited using a Langmuir-Blodgett technique, resulting in non-uniform cellulose coverage of the substrate. By defining local Regions of Interest (ROIs) of the cellulose-covered gold film, and by measuring the SPR curves at elevated temperature for the ROIs as a function of time, we are able to determine the rate and extent of degradation of the cellulose fibers within individual ROIs. We have fit the change in SPR angle over time after exposure to enzyme to an exponential decay function that allows us to determine the average time constant of action of these enzymes on the deposited cellulose fibers. We have used the above procedure to measure the average time constants of action and the average degradation fraction (the change in average thickness divided by the initial average thickness) of cellulose fibers exposed to CBH-1, CBH-2, and EG-1, as well as combinations of these enzymes. We have measured an increase in the average degradation fraction and a decrease in the average time constants of action for cellulose fibers exposed to 23 μg/mL CBH-2 compared to fibers exposed to the same concentration of CBH-1. Additionally, for concurrent exposure of CBH-1 and EG-1 (with individual concentrations of 23 μg/mL), as well as concurrent introduction of CBH-1, CBH-2 and EG-1, we observed increases in the average degradation fraction and decreases in average time constants relative to the values measured for the individual enzymes. These measurements allow us to determine the relative activity of these enzymes and they demonstrate cooperativity and complementarity of action of the different enzymes.
077 Mixed mode I/II fracture path simulation in a typical jointed rock slope

The fracture behaviour of a jointed rock slope is investigated numerically using finite element simulations. A typical rock slope containing an inclined edge crack and subjected to the weight of slope and the pore pressure applied to the crack flanks is modeled using the ABAQUS code. Fracture parameters including stress intensity factor (KI and KII) and the T-stress are obtained from the numerical analyses. A mixed mode fracture criterion called the generalized maximum tangential stress-GMTS (which uses three fracture parameters KI, KII and T) is introduced for evaluating the onset of slope failure. Furthermore, an incremental crack growth method which involves a large number of small crack extensions in appropriate directions is also used for simulating the trajectory of fracture growth in the considered rock slope. It is shown that in addition to the conventional singular terms (KI and KII), the non-singular stress term (Tstress) can also affect significantly the fracture initiation angle and the trajectory of fracture growth in the jointed rock slopes.
A Comparison Between Evolutionary and Rule-based Level Generation

Att skapa digitala spel och anstalla utvecklare ar en kostsam process. Genom att anvanda procedurell generering av spelinnehall kan spelforetag skara ner pa produktionstid och kostnad. Denna uppsats utvarderar och jamfor de olika styrkor och svagheter som finns nar man genererar spelbanor for ett 2D pussel- och plattformsspel med en evolutionar generator och en regelbaserad generator. Den evolutionara generatorn anvander sig av grammatisk evolution, medan den regelbaserade generatorn ar ett strikt kontrollerat system som anvander sig av generativ grammatik. Banorna som skapas av de bada metoderna utvarderas genom anvandarstudier, kombinerat med en analys av tiden och komplexiteten for att utveckla generatorerna. Datan fran utvarderingarna visar att den regelbaserade metoden var nagot mer uppskattad av anvandare, samtidigt som den var mindre komplex att implementera. Den evolutionara generatorn ar dock battre lampad for att expandera tillsammans med spelet, och har potentialen att prestera battre pa lang sikt.
Power Balance Theory Control of an Integrated Electronic Load Controller with Zig-Zag Transformer for Stand-Alone Wind Farm with PV Array Connected to Three-Phase Four-Wire Load

Wind Turbine (WT) with PV array power generation attracted attention to supply electricity in remote areas because of its self- sustainability, environment friendly and economic reasons. This paper propounds isolated Wind turbine and PV array generating system with MPPT, DC-DC boost converter, Integrated electronic load controller (IELC) feeding three-phase four-wire non-linear loads. The power balance theory (PBT) is applied to estimate the reference load current to control the six-leg voltage source converter (VSC). The IELC is realized with zig-zag/three single-phase transformer and a six-leg insulated-gate bipolar-transistor-based current-controlled voltage source converter, a chopper switch and auxiliary load on DC bus. The fuel cell power generating system is modeled and simulated in MATLAB environment using Simulink and sim power system (SPS). Keywords: Wind Farm(WF), Wind Turbine(WT), PhotoVoltaic cell (PV), Power balance theory(PBT), Integrated electronic load controller (IELC), Voltage source converter(VSC), Maximum Power Point Tracking(MPPT).
An approach to formal modeling of environmental knowledge via concept maps and ontologies

In order to obtain semantic interoperability in open systems, the systems involved need to agree on commonly understandable knowledge representations. The case considered in this paper is one of a system needing to communicate and share knowledge using concept maps and ontologies, in the context of the environmental sciences and the semantic Web. We present how to formally obtain ontologies codified in the OWL language from concept maps. Concept maps are a flexible and informal form of knowledge representation, while OWL is a language oriented to processing carried out by machines. The mapping between concept maps and ontologies is a formal transformation, which semantically analyzes the relations linking the concepts in the map. The proposed method includes a concept-sense disambiguation procedure and uses the WordNet lexical knowledge base. It also includes automatic learning of the semantics of the relations between concepts. The proposed method has been applied to the environmental-knowledge domain, through tests of several concept maps with labels in Spanish.
FINANCIAL FRICTIONS IN THE EURO AREA AND THE UNITED STATES: A BAYESIAN ASSESSMENT

This paper assesses the empirical relevance of financial frictions in the Euro Area (EA) and the United States (US). It provides a comprehensive set of comparisons between two models: (i) a Smets and Wouters (SW) [F. Smets and R. Wouters, Shocks and frictions in US business cycles: A Bayesian DSGE approach, American Economic Review 97(3), 586–606 (2007)] model with financial frictions originating in nonfinancial firms and (ii) a SW model with frictions originating in financial intermediaries. The introduction of financial frictions in either way improves the models' fit compared to a standard SW model, and the empirical comparisons reveal that the latter model outperforms the former both in the euro area and in the United States. Two main factors explain this result: first, the magnitude of the financial accelerator effect, and second, the role of the investment-specific technology shock in affecting financial variables.
Detecting Communities through Network Data

Social life coalesces into communities through cooperation and conflict. As a case in point, Shwed and Bearman (2010) studied consensus and contention in scientific communities. They used a sophisticated modularity method to detect communities on the basis of scientific citations, which they then interpreted as directed positive network ties. They assumed that a lack of citations implies disagreement. Some scientific citations, however, are contentious and should therefore be represented by negative ties, like conflicting relations in general. After expanding the modularity method to incorporate negative ties, we show that a small proportion of negative ties, commonly present in science, is sufficient to significantly alter the community structure. In addition, our research suggests that without distinguishing negative ties, scientific communities actually represent specialized subfields, not contentious groups. Finally, we cast doubt on the assumption that lack of cites would signal disagreement. To show the general importance of discerning negative ties for understanding conflict and its impact on communities, we also analyze a public debate.
Technology upgrading and growth in Central and Eastern Europe

The R&D and technology issues of relevance for catching up cannot be understood or conceptualised only within the R&D based growth model. With this motivation in mind, we have created a composite indicator of innovation capacity and performance of the CEECs, as well as of the EU25, which is meaningful from the perspective of countries lagging behind the world technology frontier. Three conclusions stem from the Index of Technology Upgrading components which have major relevance for policy making. Firstly, we observe a decline in most of the EU25 economies of their production capabilities despite, on average, significant improvements in R&D and technology capability. This suggests that the EU has serious weaknesses in converting its R&D and technological knowledge into production capabilities. Secondly, the Index of Technology Upgrading components show improvements in infrastructure and structural changes in most of the EU economies, but an overall relative decline in firm capabilities. This shows the limitations of current EU supply oriented RDI policies which continue to reinforce the so-called European paradox. Thirdly, increased knowledge interaction between 2006 and 2015 has been confined to the German-led Central European manufacturing cluster. It seems that the EU RDI policy operates as a substitute for technology and knowledge exchange rather than as a complement to it.
Kinematic and Dexterity Analysis of a 3-DOF Parallel Manipulator

A new three Degree Of Freedom (3-DOF) parallel manipulator has been proposed in this study. Because the parallel manipulator has three Degree Of Freedom (DOF), one translation degree of freedom and two rotational degrees of freedom, it has received considerable attention from both researchers and manufacturers over the past years. The inverse kinematic and Jacobain matrix were derived. The dexterity of the parallel manipulator is presented. The key issue of how the kinematic performance in term of dexterity varies with differences in the structural parameters of the parallel manipulator is investigated. The simulation results, using MATLAB, testify the validity of the analytic model and illustrate the structural parameters have direct effect upon dexterity characteristic of the 3-DOF parallel manipulator.
An Estimation Algorithm of Target Location and Scattered Waveforms for UWB Pulse Radar Systems

Radars utilizing ultra-wide-band (UWB) pulses are attractive as an environment measurement method for various applications including household robots. Suitable filtering is essential for accurate ranging, which requires an accurate waveform estimation. This paper presents a high-resolution algorithm of estimating target location and scattered waveforms, whose accuracies are interdependent. The technique relies on iterative improvements of estimated waveforms. Description of the algorithm is followed by statistical simulation examples. The performance of the algorithm is contrasted with conventional ones and statistical bounds. Results indicate that our proposed algorithm has a remarkable performance, which is close to the theoretical limit. Next, we clarify the problem of applying HCT to multiple targets. HCT for multiple targets can not be used as an estimated waveform because of interference waves from other targets. We propose an interference suppression algorithm based on a neural network, and show an application example of the algorithm. key words: UWB pulse radar, radar imaging, waveform estimation, nonparametric estimation, neural network
Flavonoids as novel neuroprotective nutraceuticals

Dementia/Neurodegenerative disorders result from chronic, progressive loss of neurons involved in cognition. Such disorders are characterized by more long-term care, chronic suffering and lost quality of life than any other disorder. Emerging evidence suggests that flavonoids may retard, block or even reverse such neurodegeneration. The purpose of this review is to assess effects, associations and mechanisms of action of flavonoids on neurons, to describe the recent advancements and to explore some current controversies surrounding the subject. PubMed, Google Scholar and university websites were searched. Additional studies were identified from reference lists.
Heart disease prediction using machine learning techniques : a survey

Heart related diseases or Cardiovascular Diseases (CVDs) are the main reason for a huge number of death in the world over the last few decades and has emerged as the most life-threatening disease, not only in India but in the whole world. So, there is a need of reliable, accurate and feasible system to diagnose such diseases in time for proper treatment. Machine Learning algorithms and techniques have been applied to various medical datasets to automate the analysis of large and complex data. Many researchers, in recent times, have been using several machine learning techniques to help the health care industry and the professionals in the diagnosis of heart related diseases. This paper presents a survey of various models based on such algorithms and techniques andanalyze their performance. Models based on supervised learning algorithms such as Support Vector Machines (SVM), K-Nearest Neighbour (KNN), NaïveBayes, Decision Trees (DT), Random Forest (RF) and ensemble models are found very popular among the researchers.
Net primary production and seasonal CO 2 and CH 4 fluxes in a Trapa natans L .

The main hypothesis of this work is that Trapa natans L. and similar floating leaved macrophytes are only temporary sinks of atmospheric carbon dioxide and that they favour water hypoxia and large methane efflux from sediment to the atmosphere, due to their shading effect and scarce ability to transfer oxygen to submerged tissues. For this purpose, from April to August 2005, T. natans production, dissolved O2, CO2 and CH4 concentrations in the water column and CO2 and CH4 fluxes across the wateratmosphere interface were measured in an oxbow lake (Lanca di Po, Northern Italy) where a monospecific floating mat of water chestnut develops. Net primary production by T. natans was determined via biomass harvesting while gas fluxes were determined via short-term incubations of light and dark floating chambers. From July onwards, when the water surface of the oxbow lake was entirely colonized by the plant, the dense canopy resulted in a physical barrier for light and water reareation. As a consequence of sediment and plant respiration, persistent hypoxia and often anoxia, and CO2 and CH4 supersaturation occurred in the water column. Net primary production of T. natans, calculated at peak biomass, was 13.05 ± 0.32 mol CO2 m. The T. natans mat was a net sink for atmospheric CO2 from mid June to mid August, with an uptake peak measured at the beginning of July (229 mmol m d); estimated net ecosystem metabolism was ≤10.09 ± 1.90 mol CO2 m. Contextually, during the vegetative period of T. natans, the oxbow lake was a net source of methane (9.52 ± 2.10 mol m), and the resulting CH4 to CO2 flux ratio across the water-atmosphere interface was ≥0.94. The large methane release was probably due to the persistent hypoxia and anoxia induced by the T. natans meadow, which uncoupled methane production from methane oxidation.