Miracle-dz/UniFAR-FTUs huggingface dataset:
How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine

The crystal structures of amino acids, which are composed of molecules in their zwitterionic tautomers, are usually interpreted in terms of strong NH⋯O hydrogen bond formation between the ammonium and carboxylate groups supported by weaker dispersion or CH⋯O interactions. This view of the factors which promote thermodynamic stability in the crystalline amino acids has been re-examined in two phases of glycine, the trigonal γ-form, which is the thermodynamically most stable form under ambient conditions, and the e-form, which is generated from γ-glycine at high pressure. A combination of Hirshfeld surface analysis, periodic DFT, PIXEL and symmetry-adapted perturbation theory calculations indicates that the conventional interpretation of intermolecular interactions in crystalline amino acids phases fails to recognise the over-whelming significance of Coulombic attraction and repulsion. There are no intermolecular interactions in either phase that can plausibly be described as dispersion-based. The interaction energies of molecules connected by so-called CH⋯O H-bonds are far in excess of accepted values for such interactions. Of the 14 closest intermolecular contacts in both phases, six have destabilizing interaction energies: in γ-glycine a hydrogen bond with ‘text-book’ NH⋯O contact geometry is part of a destabilising molecule–molecule interaction. The relative stabilities of the phases are best understood not in terms of a series of stabilising atom–atom contacts, but rather as a balance between efficient filling of space in the high-pressure e-phase, and more weakly repulsive electrostatic whole–molecule interactions in the γ-phase.
Waste Materials from Tetra Pak Packages as Reinforcement of Polymer Concrete

Different concentrations (from 1 to 6 wt%) and sizes (0.85, 1.40, and 2.36 mm) of waste Tetra Pak particles replaced partially silica sand in polymer concrete. As is well known, Tetra Pak packages are made up of three raw materials: cellulose (75%), low density polyethylene (20%), and aluminum (5%). The polymer concrete specimens were elaborated with unsaturated polyester resin (20%) and silica sand (80%) and irradiated by using gamma rays at 100 and 200 kGy. The obtained results have shown that compressive and flexural strength and modulus of elasticity decrease gradually, when either Tetra Pak particle concentration or particle size is increased, as regularly occurs in composite materials. Nevertheless, improvements of 14% on both compressive strength and flexural strength as well as 5% for modulus of elasticity were obtained when polymer concrete is irradiated.
Advances in understanding the ability of sapstaining fungi to produce cell wall-degrading enzymes

The ability of selected sapstaining fungi to produce the enzymes cellulase, xylanase, mannanase, pectinase, and amylase was investigated in vitro . While all test fungi secreted low amounts of xylanase (up to 1.64 μmoles/min/ml) and pectinase (up to 0.11 μmoles/min/ml) into the growth medium, extracellular cellulase was not detected. Furthermore, mannanase was produced only by Ophiostoma piceae (Munch) Syd. & P. Syd. (0.29 μmoles/min/ml). To the best of our knowledge, this is the first report of mannanase activity for any Ophiostoma sp. Amylase activity was higher than xylanase, mannanase, and pectinase activities for all test fungi. This confirms that sapstaining fungi preferentially metabolize readily accessible, nonstructural wood components, such as starch. Possible roles of the enzymes detected are discussed.
Human Capital, Social Capital and Firm Performance in Chinese SMEs

Organizational commentators have noted an increasing interest in the evolution of Chinese small business during the past 20 years (Anderson eta\. 2003). Small enterprises account for over 60 per cent of China's total industrial output and most of these enterprises are privately owned (Wang and Yao 200 I). Recent statistical data show that output by private enterprises has grown to about 33 per cent of China's gross domestic product (Wang and Yao 2001). Prior to the amendment of China's Constitution in 1999, these private enterprises were not allowed to register as a category. Since \999, the number of private enterprises has increased to 1.2 million and its annual growth rate was 34 per cent. A challenge faced by private enterprise entrepreneurs, especially those in the small and medium·sized sector, is the need to enhance their competitiveness by developing their level of managerial and technical skills and competencies (Peng 2001 ). In the Western management literature, much has been written regarding the importance of firm capabilities, which, as scarce resources contribute to firm profitability and grov.1:h (for example, Bamey 1996, Teece et al. 1997). The same assessment can be said of the extant literature on business management in ~hina (for example, Hoskisson et al. 2000, Park and Luo 200 l). Desp1te an increasing mtcrest in the management of Chinese small and medium-sized enterprises (SMEs) in the academic literature, there are few empirical studies that account for the behaviours of Chinese SME business owners in the light of market reform. Therefore, we will examine the 1mpact of firm capabilities, such as human capital (including skills, knowledge and abilities) and soc1al capital (such as guanxi or personal business connections), on the performance of Chinese private enterprises. The format of this chapter is as follows. We provide a review of literature that explains the relationships between firm capabilities (such as human and
An Empirical Investigation of Corporate Dividend Payout Policy in an Emerging Market: Evidence from Palestine Securities Exchange

This manuscript aims at investigating factors that affect corporate dividend policy of the listed companies on Palestine Securities Exchange. For this purpose, the study considers the impact of six explanatory determinants namely, firm’s size, profitability, risk, leverage, liquidity and growth opportunities by using balanced panel dataset of Palestinian listed firms between the years 2009 and 2013. The sample which was investigated is composed of 24 listed and traded companies as of December 2013. Descriptive analysis, multicollinearity analysis and multiple regression analysis were used to test the model of the study. Empirical findings show that that growth, risk, and profitability explanatory variables have positive and statistically significant association with dividends payout ratio. Furthermore, the results indicate that the firm size and leverage ratio factors were found to have statistically no significant relationship with dividends payout ratio. Liquidity appeared to have a negative association with dividends payout but not statistically significant. Keywords: Dividend Payout Policy, Palestine Securities Exchange
The Origin of Words: A Psychophysical Hypothesis

It is hypothesized that words originated as the names of perceptual categories and that two forms of representation underlying perceptual categorization -- iconic and categorical representations -- served to ground a third, symbolic, form of representation. The third form of representation made it possible to name and describe our environment, chiefly in terms of categories, their memberships, and their invariant features. Symbolic representations can be shared because they are intertranslatable. Both categorization and translation are approximate rather than exact, but the approximation can be made as close as we wish. This is the central property of that universal mechanism for sharing descriptions that we call natural language.
Molecular Cloning, Expression Pattern, and Phylogenetic Analysis of the Lysyl-tRNA Synthetase Gene from the Chinese Oak Silkworm Antheraea pernyi

Aminoacyl-tRNA synthetases (AARS) are a class of enzymes that charge tRNAs with their cognate amino acids. There are two classes of tRNA synthetases, classes I and classes II, that are distinguished by the architectures of their active-site catalytic cores (Guo et al., 2008). Lysyl-tRNA synthetase (LysRS) is an AARS, a group of ancient proteins known for their critical role in translation. LysRS is a homodimer localized to the cytoplasm which belongs to the class II family of tRNA synthetases. Its assignment to class II AARS is based upon its structure and the presence of three characteristic sequence motifs in the core domain. The catalytic core domain is primarily responsible for the ATP-dependent formation of the enzyme bound aminoacyl-adenylate. The LysRS gene has been cloned and characterized from various kinds of organisms. In Escherichia coli, there are two distinct LysRSs encoded by two widely separated genes, LysRS and LysRU (VanBogelen et al., 1983; Emmerich & Hirshfield, 1987), while in Campylobacter jejuni only one LysRS is present (Chan & Bingham, 1992). In E. coli, the LysRS gene is expressed constitutively while LysRU can be induced by growth at high temperature (Hirshfield et al., 1981). In human, only one LysRS belonging to the class II family of AARSs is present (Guo et al., 2008). The crystal structure of tetrameric form of human LysRS has been recently determined (Guo et al., 2008). Human LysRS has been shown to be secreted and to trigger a proinflammatory response as a target of autoantibodies in the human autoimmune diseases, polymyositis or dermatomyositis (Park et al., 2005). And, LysRS is required for the translocation of calreticulin to the cell surface in immunogenic death (Kepp et al., 2010). However, none of insect LysRS gene has been characterized to date. The Chinese oak silkworm, Antheraea pernyi (Lepidoptera: Saturniidae), is one of the most well-known economic insect species used for silk production and insect food source. This insect is known to be sucessfully domesticated in China around the 16th century (Liu et al. 2010a), and it is commercially cultivated in China, India, and Korea. To isolate the functional genes of A. pernyi, we have constructed a full-length cDNA library (Li et al. 2009). By EST
On the Variation in Size and Composition of Minke Whale (Balaenoptera acutorostrata) Forestomach Contents

Forestomach contents from 223 Northeast Atlantic minke whales (Balaenoptera acutorostrata), caught in scientific whaling operations in Norwegian and adjacent waters in 1992–94, were analysed with reference to the feeding behaviour of the species. More than half of the examined forestomachs had single-prey contents. This was particularly evident for krill (Thysanoessa spp.), herring (Clupea harengus) and capelin (Mallotus villosus), while a more frequent occurrence of gadoid species in mixed-prey forestomachs indicated that these were either less common in single-species aggregations or that they may have occasionally been eaten while pursuing the same prey as the minke whales. Within a given area, it appeared that small and large minke whales exploit the same resources, the forestomachs of the larger animals containing larger food quanta than those of smaller ones. Substantial variations in observed weights of forestomach contents suggest that minke whales usually feed during long and well defined feeding bouts separated by non-feeding periods. Krill was, however, usually found in stomachs with little contents suggesting that it may be consumed during shorter and more frequent feeding bouts. That krill was more dispersed in the area than any of the other prey items may have contributed to this. The available data may indicate that the feeding activity of minke whales is low during late night and early morning.
Idiosyncratic Risk and Higher-Order Cumulants

We show that, when allowing for general distributions of dividend growth in a Lucas economy with multiple "trees," idiosyncratic volatility will affect expected returns in ways that are not captured by the log linear approximation. We derive an exact expression for the risk premia for general distributions. Assuming growth rates are Normal Inverse Gaussian (NIG) and fitting the distribution to the data used in Mehra and Prescott (1985), the coefficient of relative risk aversion required to match the equity premium is more than halved compared to the finding in their article.
Clustering Networks’ Heterogeneous Data in Defining a Comprehensive Closeness Centrality Index

One of the most important applications of network analysis is detecting community structure, or clustering. Nearly all algorithms that are used to identify these structures use information derived from the topology of these networks, such as adjacency and distance relationships, and assume that there is only one type of relation in the network. However, in reality, there are multilayer networks, with each layer representing a particular type of relationship that contains nodes with individual characteristics that may influence the behavior of networks. This paper introduces a new, efficient spectral approach for detecting the communities in multilayer networks using the concept of hybrid clustering, which integrates multiple data sources, particularly the structure of relations and individual characteristics of nodes in a network, to improve the comprehension of the network and the clustering accuracy. Furthermore, we develop a new algorithm to define the closeness centrality measure in complex networks based on a combination of two approaches: social network analysis and traditional social science approach. We evaluate the performance of our proposed method using four benchmark datasets and a real-world network: oil global trade network. The experimental results indicated that our hybrid method is sufficiently effective at clustering using the node attributes and network structure.
THE USE OF POLYELECTROLYTE WITH CELLULOSE NANOCRYSTALS ASSOCIATION AS AN ALTERNATIVE TO IMPROVE PAPER STRENGTH

Structures consisting of cationic polyelectrolyte and anionic cellulose nanocrystals at different charge ratios, q+/q-, were manufactured for use in improving handmade paper strength properties. Eucalyptus bleached pulp with low fines content was used in the paper manufacturing. Cationic starch sample was used as the polyelectrolyte to be associated with nanocrystals isolated from cotton fibers. All study was done on the basis of charge densities of both materials, cationic starch and cellulose nanocrystals. Reference test was conducted for comparison purpose. Results of tensile index of cationic polyelectrolyte (9.8 N.m.g -1 ) and cellulose nanocrystals (9.1 N.m.g -1 ) separately applied were higher than the reference test (8.2 N.m.g -1 ). The association of cationic polyelectrolyte and the anionic cellulose nanocrystals at different charge ratios, +q/q-, resulted in suspensions with different charge balancing when compared to the suspensions with the original constituents only. This enabled the formation of structures with desired charge densities, i.e. with positive residual to adsorption in fiber surfaces. The best result of tensile index was achieved when the value of charge density of the structures in suspension was near neutral, q+/q- = 100/100.
High-Resolution Near-Surface Velocity Model for Depth Imaging of Mineral Deposits in the Ludvika Mining Area, Sweden

Summary Within the H2020-funded Smart Exploration project existing legacy seismic data acquired in the Ludvika Mines are analysed in order to delineate the deposits in depth. Here we present a velocity model derived using first-break traveltime tomography, which represent the near-surface materials at high resolution and can be directly used for refraction static calculations or incorporation and for depth imaging algorithm. Our results are consistent with derived velocities from downhole logging data and show a strong vertical velocity gradient in the upper first hundred meters. In mineral exploration clear images of the subsurface and an improved characterization of mineral deposits are required to reduce the risk before drilling. Especially in prestack depth imaging workflows, which are successfully applied to hardrock seismic data, a reliable velocity model is required that represents the lateral and vertical variations in lithology and assures the robustness of the velocity model within the application of depth migration routines at the same time. A special focus of this work lies on the derivation of a detailed near-surface velocity model, which accounts for strong scattering effects due to lateral inhomogeneities as well as for topographic effects on the reflections.
An updated arbitrary-lagrangian-eulerian description in continuum mechanics and its application to nonlinear fluid-structure interaction dynamics

An updated Arbitrary-Lagrangian-Eulerian (UALE) coordinate system is proposed to solve problems in continuum mechanics. It is compared to and distinguished from an ALE system. The governing equations in differential and integral forms in an UALE system are derived. A key feature of the UALE system is that the current position coordinates defined in a Cartesian Eulerian Spatial System (CESS) are chosen as the reference coordinates to investigate the motion of the continuum. When the reference point moves to a new position, the reference coordinates are updated to the new position coordinates in CESS. This UALE system and the updated Lagrangian (UL) system have the same base vectors as the CESS at each point in space, which provides a convenient way to overcome fundamental difficulties occurring in a nonlinear fluid-structure analysis. In the fluid's UALE system and the solid's UL system in solids, variational principles and a mixed finite element finite volume approach for nonlinear fluid-structure interaction dynamics are developed and formulated.
Static and Semantic Social Networks Analysis: Towards a Multidimensional Convergent Model.

Social networks of the Web 2.0 have become global (e.g., FaceBook, etc). In 1977, FREEMAN published generic metrics for Social Networks Analysis (SNA), mainly based on graph-mining models. The objective of our work is to extend these static analysis models by taking the conceptual aspects of enterprises and institutions social graph into account. These conceptual aspects are embedded in trades-oriented ontologies extracted from the endogenous information, connate to the studied social networks. The originality of our multidisciplinary work is to define new multidimensional measures in SNA for new decision-making functions in Human Resource Management (HRM). This paper introduces three new contributions: (1) a metric of tension of a social network, (2), an extension of the FREEMAN's betweenness measure named semantic betweenness and (3) a notion of reactance of a social network used for the evaluation of the individual stress.
Modified Convex Data Clustering Algorithm Based on Alternating Direction Method of Multipliers

Knowing the fact that the main weakness of the most standard methods including k-means and hierarchical data clustering is their sensitivity to initialization and trapping to local minima, this paper proposes a modification of convex data clustering in which there is no need to be peculiar about how to select initial values. Due to properly converting the task of optimization to an equivalent convex optimization problem, the proposed data clustering algorithm can be indeed considered as a global minimizer. In this paper, a splitting method for solving the convex clustering problem is used called as Alterneting Direction Method of Multipliers (ADMM), a simple but powerful algorithm that is well suited to convex optimization. We demonstrate the performance of the proposed algorithm on real data examples. The simulation result easily approve that the Modified Convex Data Clustering (MCDC) algorithm provides separation more than the Convex Data Clustering (CDC) algorithm. Furthermore, complexity of solving the second part of MCDC problem is reduced from O(n2) to O(n).
Effects of chitosan treatments on para rubber leaf fall disease caused by Phytophthora palmivora Butler - a laboratory study

Leaf fall is a serious disease of para rubber seedlings, known to cause economic losses in several nurseries of southern Thailand. It is caused by a phytopathogenic fungal-like organism Phytophthora. Chitosan is a biological polymer used as a plant growth stimulator, and used against several phytopathogenic fungi on many crops. This study aimed to determine the effects of chitosan in controlling leaf fall disease of para rubber seedlings caused by Phytophthora palmivora, both in vitro and in vivo. Various concentrations of chitosan were applied on seedlings of para rubber clone RRIM 600. The growth rate of P. palmivora on potato dextrose agar was determined with various chitosan concentrations, and a concentration of 1 mg/ml was sufficient to reduce the radial growth of P. palmivora by about 91% on agar plates. This concentration also reduced the size of necrotic lesions at 24 and 48 hours post inoculation (hpi), but not after 72 hpi. The results suggest that chitosan (i) directly inhibits the growth of P. palmivora, and (ii) reduces the growth rate of necrotic lesions, but may not completely be able to control the leaf fall disease of para rubber seedling.
Comparative Analysis of Psychological Skills Between Men and Women Volleyball Players in Tamilnadu During Practice and Competition Conditions

Thepurpose of thestudy wasto analyze the Psychological Skills between men and women volleyball players in Tamilnadu during practice and competition condition. To achieve the purpose of the study the investigator selected 24 men volleyball players and 24 women volleyball players from Tamilnadu in the age group of 18-25 years. Psychological skills were assessed by Test of Performance Strategy(TOPS) Questionnaire authored byThomas, Murphy, and Hardy (1999). It is a self-reportinstrument designed to measure specific psychological skills used by athletes during practice and competition conditions. It consists of eight subscales in the practice portion and eight in the competition portion. Within each of the 16 subscales, there are four items resulting in a total of 112 items. The maximum score on each section (practice and competition of the TOPS is 160 (Frey et al., 2003). A higher score indicates a greater use of psychological skills.The results showed that women volleyball players were found better than men volleyball players in automaticity and relaxation variables of performance strategies during practice condition and in automaticity, goal setting and activation in competition condition.
Order-to-Trade Ratios and Market Liquidity

We study the impact on market liquidity of the introduction of a penalty for high order-to-trade ratios (OTRs), implemented by the Italian Stock Exchange to curtail high-frequency quote submission. We find that the fee is associated with a collapse in the quoted depth of the stocks that make up the bulk of trading in Italian equities and with an increase in price impacts of trading across the treated stocks. Spreads do not change, however. Stocks from a pan-European control sample show no such liquidity changes. Thus, the Italian OTR fee had the effect of making Italian stocks markets more shallow and less resilient. Large stocks are more severely affected than midcaps. We also find evidence of a limited decrease in turnover. Consolidated liquidity, constructed by aggregating across all electronic trading venues for these stocks, decreases just like that on the main exchange. Thus, liquidity was not simply diverted from the main exchange, it was reduced in aggregate.