Miracle-dz/UniFAR-FTUs huggingface dataset:
Virtual Quantification of Protein Stability Using Applied Kinetic and Thermodynamic Parameters

Protein stability, the most important aspect of molecular dynamics and simulations, requires sophisticated instrumentations of molecular biology to analyze its kinetic and thermodynamic background. Sequence- and structure-based programs on protein stability exist which relies only on single point mutations and sequence optimality. The energy distribution conferred by each hydrophobic amino acid in the protein essentially paves way for understanding its stability. To the best of our knowledge, Protein Stability is a first program of its kind, developed to explore the energy requirement of each amino acid in the protein sequence derived from various applied kinetic and thermodynamic quantities. The algorithm is strongly dependent both on kinetic quantities such as atomic solvation energies and solvent accessible surface area and thermodynamic quantities viz. enthalpy, entropy, heat capacity, etc. The hydrophobicity pattern of protein was considered as the important component of protein stabilization.
Ability Peer Effects in University: Evidence from a Randomized Experiment

This article estimates peer effects originating from the ability composition of tutorial groups for undergraduate students in economics. We manipulated the composition of groups to achieve a wide range of support, and assigned students—conditional on their prior ability—randomly to these groups. The data support a specification in which the impact of group composition on achievement is captured by the mean and standard deviation of peers’ prior ability, their interaction, and interactions with students’ own prior ability. When we assess the aggregate implications of these peer effects regressions for group assignment, we find that low- and medium-ability students gain on an average 0.19 SD units of achievement by switching from ability mixing to three-way tracking. Their dropout rate is reduced by 12 percentage points (relative to a mean of 0.6). High-ability students are unaffected. Analysis of survey data indicates that in tracked groups, low-ability students have more positive interactions with other students, and are more involved. We find no evidence that teachers adjust their teaching to the composition of groups.
Predictions of the MCMI-III personality disorders from NEO-PI-R domains and facets: Comparison between American and Spanish samples

This ex post facto study analyzes the relationships between NEO-PI-R domains and facets and 14 MCMI-III personality disorders scales in a Spanish non- clinical sample (N = 674). It also aims to explore differences and similarities with the results obtained by Dyce and O'Connor in an American sample with the same instruments. As expected, facet-level factor analyses forced to five factors showed a pattern of relationships strongly similar between both samples, with a total congruence coefficient of . 92, and acceptable factor congruence coefficients, except for the Openness factor (.68). In accordance with the predictions by Widiger and Widiger et al. percentages of significant correlations were around 60% in both samples, with most of them agreeing. The domain-level multiple regression analysis also revealed a great resemblance between both American and Spanish results, Neuroticism being the strongest predictor of personality disorders. More differences arose in the multiple regressions at facet-level, although the variance accounted for by included facets was practically the same as the domains. The cross-cultural validity of the predictive value of the NEO-PI-R over the MCMI-III personality disorders and the relative benefits of the facet-level analyses over domain- level analyses are discussed.
On domain selection for additive, blind image watermarking

Recently, a variety of digital watermarking schemes have been developed for copyright protection of digital images. In robust watermarking, which is used in copyright protection, transform-based algorithms are used to ensure resilience of the watermark to common signal processing attacks. The most frequently used watermarking algorithms for additive watermark embedding involve DCT, DFT, SVD and DWT domains. In this article we verify which domain is optimal for robust, the additive watermark embedding scheme. We demonstrate that in additive watermark embedding the embedding domain plays more important role than the embedding formula.
Geographical Indications of Origin as a Tool of Product Differentiation: The Case of Coffee

An increasing interest in geographical indications of origin (GIs) as a tool of product differentiation can be observed in the so-called specialty coffee sector. Similar to the approach for wine in France and Italy, more and more coffee-producing countries try to establish appellation systems for coffee. Whereas some countries and regions such as Colombia or Jamaica have already legally protected GIs for coffee, most coffee GIs are still informal, meaning that no legal protection has been obtained so far. But the recent acceptation of the term Café de Colombia as a Protected Geographical Indication in the European Union and the Ethiopian Trademark Initiative document the increasing engagement of coffee-producing countries to achieve an appropriate legal protection for their GIs. From an economic point of view, data from U.S. online retail stores indicate that single-origin coffees receive significant higher retail prices, with 100% Kona coffee from Hawaii and Jamaican Blue Mountain coffee being the most expensive ones. Furthermore, results from a hedonic pricing model based on Internet auction data for single-origin coffees show that the country and the region of origin is already an important price determinant in the specialty coffee market.
Improvement of FAO-56 model to estimate transpiration fluxes of drought tolerant crops under soil water deficit: application for olive groves.

AbstractAgro-hydrological models are considered an economic and simple tool for quantifying crop water requirements. In the last two decades, agro-hydrological physically based models have been developed to simulate mass and energy exchange processes in the soil-plant-atmosphere system. Although very reliable, because of the high number of required variables, simplified models have been proposed to quantify crop water consumes. The main aim of this paper is to propose an amendment of the Food and Agricultural Organization (FAO) of the United Nations FAO-56 spreadsheet program to introduce a more realistic shape of the stress function, valid for mature olive orchards (Olea europaea L.). The modified model is successively validated by means of the comparison between measured and simulated soil water contents and actual transpiration fluxes. These outputs are finally compared with those obtained with the original version of the model. Experiments also allowed assessing the ability of simulated crop water str.
Solvents to Fragments to Drugs: MD Applications in Drug Design

Simulations of molecular dynamics (MD) are playing an increasingly important role in structure-based drug discovery (SBDD). Here we review the use of MD for proteins in aqueous solvation, organic/aqueous mixed solvents (MDmix) and with small ligands, to the classic SBDD problems: Binding mode and binding free energy predictions. The simulation of proteins in their condensed state reveals solvent structures and preferential interaction sites (hot spots) on the protein surface. The information provided by water and its cosolvents can be used very effectively to understand protein ligand recognition and to improve the predictive capability of well-established methods such as molecular docking. The application of MD simulations to the study of the association of proteins with drug-like compounds is currently only possible for specific cases, as it remains computationally very expensive and labor intensive. MDmix simulations on the other hand, can be used systematically to address some of the common tasks in SBDD. With the advent of new tools and faster computers we expect to see an increase in the application of mixed solvent MD simulations to a plethora of protein targets to identify new drug candidates.
THE EFFECTS OF STUDY AND TEST VARIABLES ON MEMORY

Do different conditions and methods of presentation affect the likelihood of eliciting false memories? We divided subjects into groups of three to eight and presented them with lists of associated words. We tested them to observe how accurately they could recall the studied words, and how often they recalled related but not studied words (“false memories”). Half of the groups were tested individually, and the other half was tested collaboratively. All groups were presented with the same four lists, but with different rates and modalities. In our collected data, we found that all four of our variables (sex, rate, modality, and testing conditions) affected false memories. The results were analyzed in regards to reducing false memory in real life.
Thermal expansion of highly silicic nepheline-kalsilite crystalline solutions

Abstract We have investigated the thermal expansion of nepheline-kalsilite crystalline solutions having 12.5% excess silicon relative to the stoichiometric composition. It is proposed that differences in the thermal expansion among various members of the series, and also between this series and a previously studied low-Si series, can be explained by three factors: (1) shrinkage of the tetrahedral rings caused by the substitution of Na for K, especially in the case of kalsilite, allows for greater expansion from the increased vibrational amplitude of Na ions with increasing temperature. (2) The occupancy of alkali sites by ions rather than vacancies draws tetrahedral rings inward via electrical attraction to these ions, providing the potential for greater expansion with ionic vibration as temperature increases. (3) Structural differences between nepheline and kalsilite, in particular the existence of two alkali sites in nepheline, account for the increased thermal expansion of K-enriched nepheline relative to Na-nepheline, as the occupation of the larger alkali position by K+ results in greater thermal expansion than is the case with Na+ occupancy of the same sites.
Finite Element Analysis on Strains of Viscoelastic Human Skull and Duramater

Human skull and duramater has the viscoelasticity.Using the viscoelastic option of the ANSYS finite element program,this study analyzed the deformation of human skull and duramater with the changing ICP (Intracranial Pressure). The strains calculations were performed of three-dimensional finite element model of hollow shell simulating cranial cavity in this paper.The viscoelastic models for human skull and duramater were constructed.The result shows that the viscous strains account for about 40% and the elastic strains about 60% of total strains of human skull and duramater.
AB-INITIO FIRST PRINCIPLES CALCULATIONS ON HALF-HEUSLER NiYSn ( Y = Zr , Hf ) COMPOUNDS PART 1 : STRUCTURAL , LATTICE DYNAMICAL , AND THERMO DYNAMICAL PROPERTIES

The structural and lattice dynamical properties of the half-Heusler NiYSn (Y=Zr, Hf) compounds, we have been investigated using the ab-initio density-functional theory within the generalized gradient approximations. In particularly, some basic physical parameters such as lattice constant, bulk modulus and its first derivatives, elastic constants, shear modulus, Young’s modulus, and Poison’s ratio are calculated in the ground state configuration. The calculated elastic constants and the related sound velocities and Debye temperatures are also presented. The computed phonon dispersion curves based on the linear response method are predicted. Some thermo dynamical properties such as free energy, entropy, and heat capacity at constant volume are also estimated and interpreted for the first time.
Athens Institute for Education and Research ATINER ATINER ' s Conference Paper Series MED 2013-0402

The importance of providing the public with accurate, balanced, and objective information about drugs is reflected in their unique regulatory status. As such, Direct-To-Consumer-Advertising (DTCA) of prescription drugs is banned in most countries. Moreover, Embedded Marketing is banned in Israeli media, and the inclusion of commercial content in journalistic texts is considered unethical Given that only scant literature on media coverage of medications and its sources exits, the present study contributes to closing this gap. It assessed the balance between commercial and health frames in medication coverage in Israeli newspapers using framing theory. It evaluated the relative prominence of information sources applying advanced countervailing powers theory. Results showed promotional content four times greater than health contents. Prescription drug citations comprised 75% of coverage, although their advertising is prohibited. About half the articles cited sources perceived as objective: researchers or physicians, but these professionals depend on drug companies for research funding. Arguably, such coverage is embedded marketing of medications.
Title Noncontact Operation-State Monitoring Technology Based on Magnetic-Field Sensing for Overhead High-Voltage Transmission Lines

This paper proposed a novel noncontact technology of operation-state monitoring based on magnetic-field sensing for high-voltage transmission lines, which can simultaneouslymeasure both electrical and spatial parameters in real time. This technology was derived from research on the magnetic-field distribution at the ground level when the transmission lines operate in different states, including sagging, galloping, and current imbalance. Two typical models of high-voltage three-phase transmission lines were simulated, and the resulting magnetic fields were calculated. The correlation between the magnetic-field variations and the operation states were analyzed. Based on such correlation, a source reconstructionmethod was developed to reconstruct the spatial and electrical parameters from the magnetic field emanated by the overhead transmission lines. The reconstruction results for the 500-kV and 220-kV transmission lines verify the feasibility and practicality of this novel noncontact transmission-line monitoring technology based on magnetic-field sensing.
Technology Clusters Versus Industry Clusters: Resources, Networks, and Regional Advantages

The tendency of firms to cluster within a region has been observed for quite some time. However, it is only over the past two decades that business researchers have focused much attention on clusters, particularly in terms of their entrepreneurial and innovative characteristics and potential. At the same time, regional developers around the world have put much effort in promoting the formation of clusters. A gap in such efforts is an understanding of the differences among types of clusters. This article draws a distinction between two generic types of clusters: technology-based and industry-focused. Using the resource-based view as the organizing framework, we argue that the two generic cluster types create very different regional resource profiles over time, accumulating resources in a different manner, cultivating different capabilities, and deriving different sources of regional advantage. As concluded in the study, these differences are likely to have implications for firms located in the regions as well as for economic developers and public policy officials charged with developing cluster strategies.
Transient deformation in southern Mexico in 2006 and 2007: Evidence for distinct deep‐slip patches beneath Guerrero and Oaxaca

We model three slow slip events in 2006 and 2007 recorded by continuous GPS stations in central and southern Mexico to test for overlap between their source regions along the Mexican subduction interface and whether they intrude upward into the rupture zones of previous large earthquakes. Inverse modeling yields source regions beneath central Oaxaca for two of the three slow slip events (SSE), where a previously described SSE occurred in 2004, and beneath Guerrero for the third, where slip events previously occurred in 2001–2002 and possibly 1998. Along with previously published results, our work suggests there are persistent differences between the depths and magnitudes of transient slip beneath Oaxaca and Guerrero. Transient slip beneath Oaxaca in 2004, 2006, and 2007 had a common source region downdip from the seismogenic zone and released elastic strain energy equivalent to Mw∼7.0 earthquakes, equaling most or all energy that accumulated below the seismogenic zone. Transient slip beneath Guerrero in 2006 had a larger moment magnitude (Mw∼7.3) and extended somewhat farther updip, possibly to seismogenic depths. Transient slip thus appears to relieve some elastic strain that accumulates at shallow levels in the Guerrero seismic gap. We find no evidence for spatial or temporal correlations of slow slip along these two widely separated source regions, although better data are needed to test more definitively for any interaction between them.
Evaluation of Fatty Acid Profile of Trabzon Butter

Trabzon butter, a dairy product with its unique flavor, aroma and color, is produced with traditional methods in Black sea region/Turkey. In the present study, the types and amounts of short, medium and long-chain saturated and unsaturated fatty acids of Trabzon butter sold in Bursa retail markets from different geographical origin were determined by gas chromatography. The total of short-chain fatty acid levels of Trabzon butter samples were 1.43% to 2.17%, while medium-chain fatty acid levels ranged from 0.09% to 12.00%. Minimum and maximum levels of long-chain fatty acids of samples were determined as 0.01% and 34.24%. The fatty acid profile showed that palmitic, stearic and myristic acids were dominant as saturated fatty acids whereas oleic was the major monounsaturated fatty acid in butter. It could be concluded that the fatty acid content of butter can be affected by raw milk quality, the breed type and the genetic and physiological factors of the animals, geographical location and the production practices.
Methodology Review: Evaluating Person Fit

Person-fit methods based on classical test theory-and item response theory (IRT), and methods investigating particular types of response behavior on tests, are examined. Similarities and differences among person-fit methods and their advantages and disadvantages are discussed. Sound person-fit methods have been derived for the Rasch model. For other IRT models, the empirical and theoretical distributions differ for most person-fit statistics when used with short and moderate length tests. The detection rate of person-fit statistics depends on the type of misfitting item-score patterns, test length, and trait levels. The usefulness of person-fit statistics for improving measurement depends on the application.
GAMA/H-ATLAS: THE DUST OPACITY–STELLAR MASS SURFACE DENSITY RELATION FOR SPIRAL GALAXIES

We report the discovery of a well-defined correlation between B-band face-on central optical depth due to dust, , and the stellar mass surface density, μ*, of nearby (z ⩽ 0.13) spiral galaxies: . This relation was derived from a sample of spiral galaxies taken from the Galaxy and Mass Assembly (GAMA) survey, which were detected in the FIR/submillimeter (submm) in the Herschel-ATLAS science demonstration phase field. Using a quantitative analysis of the NUV attenuation–inclination relation for complete samples of GAMA spirals categorized according to stellar mass surface density, we demonstrate that this correlation can be used to statistically correct for dust attenuation purely on the basis of optical photometry and Sérsic-profile morphological fits. Considered together with previously established empirical relationships of stellar mass to metallicity and gas mass, the near linearity and high constant of proportionality of the relation disfavors a stellar origin for the bulk of refractory grains in spiral galaxies, instead being consistent with the existence of a ubiquitous and very rapid mechanism for the growth of dust in the interstellar medium. We use the relation in conjunction with the radiation transfer model for spiral galaxies of Popescu & Tuffs to derive intrinsic scaling relations between specific star formation rate (SFR), stellar mass, and stellar surface density, in which attenuation of the UV light used for the measurement of SFR is corrected on an object-to-object basis. A marked reduction in scatter in these relations is achieved which we demonstrate is due to correction of both the inclination-dependent and face-on components of attenuation. Our results are consistent with a general picture of spiral galaxies in which most of the submm emission originates from grains residing in translucent structures, exposed to UV in the diffuse interstellar radiation field.
ACTIVE GALACTIC NUCLEUS FEEDBACK IN THE HOT HALO OF NGC 4649

Using the deepest available Chandra observations of NGC 4649, we find strong evidences of cavities, ripples, and ring-like structures in the hot interstellar medium that appear to be morphologically related with the central radio emission. These structures show no significant temperature variations in correspondence with higher pressure regions (0.5 kpc < r < 3 kpc). On the same spatial scale, a discrepancy between the mass profiles obtained from stellar dynamic and Chandra data represents the telltale evidence of a significant nonthermal pressure component in this hot gas, which is related to the radio jet and lobes. On a larger scale we find agreement between the mass profile obtained from Chandra data and planetary nebulae and globular cluster dynamics. The nucleus of NGC 4649 appears to be extremely radiatively inefficient, with highly sub-Bondi accretion flow. Consistent with this finding, the jet power evaluated from the observed X-ray cavities implies that a small fraction of the accretion power calculated for the Bondi mass accretion rate emerges as kinetic energy. Comparing the jet power to radio and nuclear X-ray luminosity, the observed cavities show behavior similar to those of other giant elliptical galaxies.
Knowledge development in adventure tourism businesses – the influence of serious leisure

ABSTRACT The development of high quality adventure tourism products requires continuous knowledge development. This development is challenged by the short seasons and the low wages of the adventure tourism industry. Eight case studies of adventure tourism businesses in Norway and New Zealand identified blurry borders between work and leisure in the adventure tourism industry. Through interviews and participant observation, characteristics of serious leisure [Stebbins, R. A. 1982. “Serious Leisure: A Conceptual Statement. ” The Pacific Sociological Review 25: 251–272] were identified, as entrepreneurs and employees of adventure tourism businesses were involved in specific leisure activities taking place in the same natural environments as the commercial activities. The findings suggests that knowledge and motivation related to serious leisure can benefit the adventure tourism industry by motivating employees to stay with the industry and invest in training, through international work mobility and the creation of knowledgeable milieus. The study is intended to increase awareness on how knowledge developed through serious leisure can benefit the tourism industry.