Theoretical Structures Research Articles

La responsabilidad social empresarial y el modelo de excelencia EFQM como marco de integración de los sistemas de gestión en las organizaciones

La Responsabilidad Social Empresarial (RSE) es hoy un tema obligado en las organizaciones. Se empieza a reconocer que las empresas, además de producir bienes y servicios, son también responsables de los riesgos que generan, no sólo para sus trabajadores, sinopor la contaminación al medio ambiente. Ésta investigación se desarrolló con el propósito de definir un marco de integración para los sistemas de gestión en calidad, ambiental y salud ocupacional, tomando la RSE y el modelo de excelencia EFQM como base. Entre los resultados se tiene la generación de un modelo bajo los principios de la RSE y de indicadores con los cuales la gerencia pueda medir la madurez de su RSE. Con ello se propone que muestren su RSE, mediante las buenas acciones que una organización demuestre desde el punto de vista empresarial: no contaminación, respeto y preocupación por sus trabajadores, clientes y Stakeholders. Se proporciona, por tanto, a las organizaciones una justificación válida para incursionar en acciones de RSE, de tal manera que integrando este concepto en su estrategia básica y en su sistema de gestión global, serán más productivas y podrán convertirse en empresas competitivas y socialmente responsables con criterios de excelencia.

Psychofyzický problém v současné psychiatrii: Uplatnění filozofických řešení psychofyzického problému v teoretických konstruktech psychiatrie

Psychofyzický problem je centralnim problemem ve filozofii mysli. Filozofie předklada řadu řeseni psychofyzickeho problemu v podobě konceptů a teorii ve snaze odpovědět na otazky, zda fyzicke a mentalni fenomeny maji nějaký vztah a pokud ano, jakým způsobem se tento vztah uskutecňuje. Otazky ohledně vztahu fyzickeho a mentalniho aspektu a ohledně jejich podstaty nejsou považovany psychiatrii za zasadni, přestože se psychiatrie ve výzkumu i klinicke praxi zaměřuje na dilci aspekty tohoto problemu. Tento clanek zkouma, ktere filozoficke koncepce psychofyzickeho problemu se uplatňuji v teoretických konstruktech psychiatrie.

Conjunctions of power and comparative education

This paper develops the basis of a comparative sociological account of the present state and potential of Comparative Education (CE) as a field of study by examining the mechanisms and contexts generated by three ‘conjunctions’ of power and CE. The first of these concerns issues of power over the field, how it has been, and is being, framed by the operation of ‘power’ of various kinds. Power over what counts as CE emerges through three forms of strategic selectivity, based on: (1) its missions, locations and wider contexts; (2) its political, discursive, theoretical, methodological and valorisational opportunity structures; and (3) its institutional locations within the structures of university governance and national and international funding bodies, and the conditions of knowledge production that they frame. Next, it addresses issues of power in CE, how it is and has been conceived, by whom, and with what analytic and political consequences. Finally, the paper directs attention to the potential power of CE. It focuses on two contrasting forms taken by the outputs of CE, the production of expertise and of explanation, which together suggest something of the nature of the dilemmas of the relationships between power and CE. Expertise concerns the power of the field as a source of comment and advice on the development of educational policy, based on qualitative and quantitative comparisons of education systems and their performances. The second, by contrast, considers the potential of a comparative approach to the explanation of social phenomena.

Report on the third International Martial Arts and Combat Sports Scientific Society (IMACSSS) Conference

<p>The present report provides a brief account of the Conference “Man - Martial Arts - Humanism”, held by the International Martial Arts and Combat Sport Scientific Society (IMACSSS) on October 15th - 17th, 2014 in Rzeszów, Poland. During this international conference, scientists from various universities presented their actual projects and results of their latest projects in the field of martial arts and combat sports (MA&CS). Subjects covered a wide range, starting with anthropology, sociology, history, philosophy, psychology, reaching up to pedagogy and didactic methodology, bio-technical approaches and theoretical structures in MA&CS. The conference drew more than 120 participants and contributed to the formation of a close network in the community of the scientists conducting research within the field of MA&CS.</p>

Ethnic Factor as a Prerequisite of Ethnopolitical Conflict

The actuality of this article lies in understanding the role of the ethnic factor in the ethnopolitical conflict. Especially, the article examines the peculiarities of the usage of the term “ethnicity”, approaches to understanding ethnicity in Ukrainian and foreign science, as well as differences in the understanding of ethnic (national) groups (minorities) as the subjects of confrontation. It traces how derivative concepts from the formal definition of ethnicity are comprehended and realized in different theoretical structures. In the article conditions under which the ethnic factor heralds imminent danger and is politicized are defined.

Crystal Structure Optimization and Semi-Empirical Quantum Chemical Calculations of Fused Bicyclic Heterocycles

The crystal structures of two fused pyridine derivatives viz Ethyl 3-amino-6-phenyl-4-tolylfuro[2,3-b]pyridine-2-carboxylate (I) and Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-b] pyridine-2-carboxylate (II) were optimized by semi-empirical methods using MOPAC2009 program. The geometries optimized for both the structures from Austin Model 1 (AM1) and Parametrization Model 6 (PM6) describe the conformational discrepancy and crystal packing effects. The parametric molecular electrostatic potential (PMEP) calculated by AM1 semi-empirical method describe the involvement of nitrogen and oxygen atoms in the crystal packing interactions in both the structures. The frontier molecular orbitals highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) indicate the intramolecular charge transfer interactions. The HOMED indices computed for the phenyl rings in the structures describe the p-electron delocalization. The linear regression analysis shows good correlation between experimental and theoretical structures.

2-Substituted and 2,2-disubstituted adamantane derivatives as models for studying substituent chemical shifts and C–Hax⋯Yax cyclohexane contacts—results from experimental and theoretical NMR spectroscopic chemical shifts and DFT structures

The complete 1H and 13C NMR chemical shifts assignment for various 2-substituted and 2,2-disubstituted adamantane derivatives 1–38 in CDCl3 solution was realized on the basis of NMR experiments combined with chemical structure information and DFT-GIAO (B3LYP/6-31+G(d,p)-GIAO) calculations of chemical shifts in solution. Substituent-induced 13C NMR chemical shifts (SCS) are discussed. C–Hax⋯Yax contacts are a textbook prototype of steric hindrance in organic chemistry. The nature of these contacts will be further investigated in this work on basis of new adamantane derivatives, which are substituted at C-2 to provide models for 1,4-C–Hax⋯Yax and 1,5-C–Hax⋯Yax contacts. The B3LYP/6-31+G(d,p) calculations predicted the presence of NBO hyperconjugative attractive interactions between C–Hax and Yax groups along C–Hax⋯Yax contacts. The 1H NMR signal separation, Δδ(γ-CH2), reflects the strength of the H-bonded C–Hax⋯Yax contact.

Terahertz Spectroscopic Analysis of Adenine and Fumaric Acid Cocrystals

The absorption spectra of adenine, fumaric acid, and their cocrystal were measured using terahertz time-domain spectroscopy(THz-TDS) at room temperature. Experimental results show that they all have distinct fingerprint spectra in the terahertz region. The absorption peaks observed in the terahertz spectra of the cocrystal were at 0.92, 1.24, and 1.52 THz. These are very different from the corresponding reagents. Based on the characteristic hydrogen donor and/or acceptor behavior of adenine, density functional theory(DFT) was used to simulate three possible theoretical cocrystal structures with a focus on hydrogen bond formation between adenine and fumaric acid. The theoretical result shows that one of three possible simulated cocrystal structures had absorption peaks at 0.89, 1.16, and 1.41 THz, which is in agreement with the terahertz experimental result. Therefore, the structure of the cocrystal was confirmed wherein the first hydrogen bond is formed between the amino group of adenine and the hydroxyl group of fumaric acid. The second hydrogen bond is formed between the nitrogen atom of the nitrogen ring in adenine and the carbonyl group of fumaric acid.The characteristic absorption bands of the cocrystal between adenine and fumaric acid are also assigned based on the simulation results from the DFT calculation.

Designing Mechatronics Equipment Based on the Example of the Stewart Platform

Designing specific technical equipment requires solving a number of problems that consider the theoretical structures of particular technical means. In the case of mechatronics equipment, one should take into consideration three groups of problems: designing mechanical components, designing actuators and designing a control program [1]. Moreover, it is important to properly organize the process for the purpose to obtain a coherent project linking the three above mentioned sub-systems of mechatronics equipment [2]. Only when three sub-systems are properly designed, the whole system can appropriately and effectively operate. One should mention that the design process could be analyzed not only from the perspective of the partition of the main system but also from the perspective of design, material and assembly features [1, 3].Taking into account constraints providing for the design process, the procedures of creating the Stewart platform were followed. This platform was devised as an actuator of a car simulator [4, 5, 6, 7]. The process of designing was divided into the before introduced phases. First, the system of actuators was elaborated referring to information about the velocity and acceleration of a real car. Second, the control system was elaborated. The system was matched to the mechanical system of actuators. At the third stage, the control program was elaborated and tuned.All presented stages of the design process were computer aided so that the process of designing was conducted in virtual reality. It results in shortening the durability of the designing phase and in decreasing costs. This preparatory phase, including the realization phase, allowed preparing the real car simulator.

On ‘the Ethics of Theorizing’ in the Cracked Mirror: Some Comments

The Ethics of Theorizing: the Problem: This paper examines the question of the ethics of theorizing with respect to the claim made by the authors that one, there is excessive dependence on theoretical structures produced in the West which employ terms that purport to be translations of non-Western concepts and two, that there is an asymmetry between the representation of the non-West by Western scholars and of the West by non-Western scholars. These questionsare embedded in the larger question of theoretical representation itself. Guru argues that only theory can produce unified knowledge which the Dalit community at present, lacks. Thus the ‘empirical sudra’ must aspire to be like the ‘theoretical Brahmin’ and develop a theoretical understanding of his situation.

Empirical Verification of Swanson’s Caring Processes Found in Nursing Actions: Systematic Review

Caring has long been recognized as central to nursing and is increasingly posited as a core concept although developing a theoretical description of caring which is adequate in the 21st. century continues to be a difficult task for nursing scholars. Consequently, verifying existing theoretical structures of caring remains an ongoing challenge. The aim of this article is to provide empirical verification of the caring processes of “knowing,” “being with,” “doing for,” “enabling” and “maintaining belief” from Swanson’s Middle Range Caring Theory based on the categorization of nursing actions from a systematic literature review on care. Methods: A systematic literature review was conducted in the fields of nursing sciences, medicine and psychology. Purposeful sampling was carried out covering a period from 2003-2013. The final sample included 25 articles. Results: Major themes of nursing actions included “knowing” which consisted of centering, nurturing, informed understanding, assessment skills, communication and respect for individual differences. “Being with” was characterized by intimate relationship, connecting, presencing, emotional adaptability awareness of self/other and decentering. “Doing for” included competence, knowledge, professional/technical skills, helping actions, anticipatory, multidisciplinary and preserving dignity. “Enabling” was characterized by self care, commitment, complexity of care, appropriate communication, information/education, sharing power, enabling choice and ongoing validation. Finally, “maintaining belief” was characterized by spiritual being, humanistic view, harmonious balance, hope, love, and compassion, meaning, and religious and spiritual orientation. Conclusion: Empirical verification was shown for the caring processes described in Swanson’s Caring Theory grounded in concrete nursing actions.

On some theoretical and methodological issues in researching the Roma population in sociology and ethnology/socio-cultural anthropology. The example of an ongoing research project in Serbia

The paper considers theoretical and methodological problems noted during the research project “Social and cultural potentials of the Roma ethnic community in Serbia” undertaken during 2013 and 2014. These problems point to an extant yet latent tension between the anthropological and the sociological approaches to the researched reality, with special emphasis on the antirealist tradition of the former and the empiricist “realist” tradition of the latter in the Serbian academic tradition of these disciplines. The paper considers how standard issues connected to methodological aspects of this primarily sociological research project (choice of topic, creation of sample, the making of field instruments, selection of informants, communication in the field, use of field assistants, data analysis and the making of the manuscript) diffract through the prism of theoretically disputable concepts of identity, ethnicity, assimilation and essentialization, which are subject to continuing questioning in anthropological theoretical and empirical research. The experience of conducting research together displays a set of methodological defaults on the anthropological and a set of theoretical defaults on the sociological side, followed by research renunciations and interpretative tensions and frustrations that arise from them, so it can be used as a guide to understanding disciplinary differences and similarities, especially when planning cooperation on a global level as well as in the local research context. Aside from this, the indivisibility of theoretical and methodological structures and the huge influence of theory on method, as demonstrated by the research itself, is considered, with implications for understanding theoretical and methodological issues which are bigger than the two disciplines in question. It is concluded that, for pragmatic reasons, multidisciplinary research of this type must be designed to suppress the theoretical ambitions of anthropology as well as the methodological ambitions of sociology.

The semi-experimental equilibrium structures of AlCCH and AlNC

Based on experimental rotational constants available in the literature (Walker and Gerry, Chem. Phys. Lett. 278, 9 (1997); Walker et al., J. Mol. Spectrosc. 209, 178 (2001); Sun et al., Chem. Phys. Lett. 553, 11 (2012)) [14,17,19] for five isotopologues of AlCCH and three isotopologues of AlNC as well as quantum-chemical computations for the vibrational corrections to rotational constants, the semi-experimental structures of these two aluminum compounds are determined. These empirical equilibrium structures (AlCCH: re(AlC)=1.957Å, re(CC)=1.222Å, re(CH)=1.065Å; AlNC: re(AlN)=1.850Å, re(NC)=1.181Å) compare favorably with theoretical best-estimate structures obtained using highly accurate coupled-cluster calculations in combination with sophisticated extrapolation and additivity schemes, i.e., the deviations are smaller than 0.002Å, but significant deviations are noted in comparison with previously determined experimental structures. Good agreement is also reached between calculations and experimental values for the relevant spectroscopic parameters of AlCCH and AlNC, indicating the predictive power of state-of-the-art high-level quantum-chemical calculations.

Probing the Multiple Structures of Vaterite through Combined Computational and Experimental Raman Spectroscopy

First-principles Raman spectra have been computed for several new vaterite structural models that have been recently proposed, and compared with spectra recorded on a set of biogenic, geological and synthetic samples. This set includes new measurements collected on Herdamania momus spicules (Great Barrier Reef, Queensland, Australia), which are known to have purity and crystallinity that are higher than for other biogenic samples. Overall, due to the close structural connection between the various models, the computed Raman spectra are found to be broadly similar. However, the spectra obtained for the two most stable models (monoclinic C2 and trigonal P3221, corresponding to two different polytypes of vaterite) exhibit features that are in excellent agreement with the experimental spectra, whereas the other theoretical structures show minor peaks that are not observed experimentally. When comparing the spectra for the two lowest energy structural models (C2 and P3221), the differences are too small to dis...

Understanding sexual harassment using aggregate construct models.

Sexual harassment has received a substantial amount of empirical attention over the past few decades, and this research has consistently shown that experiencing these behaviors has a detrimental effect on employees' well-being, job attitudes, and behaviors at work. However, these findings, and the conclusions that are drawn from them, make the implicit assumption that the empirical models used to examine sexual harassment are properly specified. This article presents evidence that properly specified aggregate construct models are more consistent with theoretical structures and definitions of sexual harassment and can result in different conclusions about the nomological network of harassment. Results from 3 large samples, 2 military and 1 from a civilian population, are used to illustrate the differences between aggregate construct and reflective indicator models of sexual harassment. These analyses suggested that the factor structure and the nomological network of sexual harassment differ when modeling harassment as an aggregate construct. The implications of these results for the continued study of sexual harassment are discussed. (PsycINFO Database Record (c) 2014 APA, all rights reserved).

A first principles molecular dynamics study of the relationship between atomic structure and elastic properties of Mg–Zn–Ca amorphous alloys

First-principles molecular dynamics simulations have been carried out for investigating the local and electronic structure and elastic properties of a series of synthesized Mg–Zn–Ca amorphous alloys. The theoretical structures were compared with experimental measurements and the respective local topology analyzed. The computed elastic constants were found to correlate not only to the iconicity (charge transfer) but also to the configurational entropy obtained from the distribution of polyhedral cell volumes. Moreover, the interplay of chemical bonding and structural characteristics was shown to determine the elastic behavior of alloys having the same Mg concentration. The results highlight the significant role of fine tuning the composition in controlling the structural and electronic properties and achieving amorphous alloys with considerable different macroscopic properties.

Theoretical study of the structure of boron carbideB13C2

We have resolved long-standing discrepancies between the theoretical and experimental crystal structures of boron carbide ${\mathrm{B}}_{13}{\mathrm{C}}_{2}$. Theoretical studies predict that ${\mathrm{B}}_{13}{\mathrm{C}}_{2}$ should be stoichiometric and have the highest symmetry of the boron carbides. Experimentally, ${\mathrm{B}}_{13}{\mathrm{C}}_{2}$ is a semiconductor and many defect states have been reported, particularly in the CBC chain. Reconciling the disordered states of the chain, the chemical composition, and the lowest-energy state is problematic. We have solved this problem by constructing a structural model where approximately three-quarters of the unit cells contain $({\mathrm{B}}_{11}\mathrm{C})$(CBC) and one-quarter of them contain $({\mathrm{B}}_{12})({\mathrm{B}}_{4})$. This structural model explains many experimental results, such as the large thermal factors in x-ray diffraction and the broadening of the Raman spectra, without introducing unstable CBB chains. The model also solves the energy-gap problem. We show that there are many arrangements of these two types of unit cells, which are energetically almost degenerate. This demonstrates that boron carbides are well described by a geometrically frustrated system, similar to that proposed for $\ensuremath{\beta}$-rhombohedral boron.

Nursing-sensitive indicators: a concept analysis.

AimTo report a concept analysis of nursing-sensitive indicators within the applied context of the acute care setting.BackgroundThe concept of ‘nursing sensitive indicators’ is valuable to elaborate nursing care performance. The conceptual foundation, theoretical role, meaning, use and interpretation of the concept tend to differ. The elusiveness of the concept and the ambiguity of its attributes may have hindered research efforts to advance its application in practice.DesignConcept analysis.Data sourcesUsing ‘clinical indicators’ or ‘quality of nursing care’ as subject headings and incorporating keyword combinations of ‘acute care’ and ‘nurs*’, CINAHL and MEDLINE with full text in EBSCOhost databases were searched for English language journal articles published between 2000–2012. Only primary research articles were selected.MethodsA hybrid approach was undertaken, incorporating traditional strategies as per Walker and Avant and a conceptual matrix based on Holzemer's Outcomes Model for Health Care Research.ResultsThe analysis revealed two main attributes of nursing-sensitive indicators. Structural attributes related to health service operation included: hours of nursing care per patient day, nurse staffing. Outcome attributes related to patient care included: the prevalence of pressure ulcer, falls and falls with injury, nosocomial selective infection and patient/family satisfaction with nursing care.ConclusionThis concept analysis may be used as a basis to advance understandings of the theoretical structures that underpin both research and practical application of quality dimensions of nursing care performance.

Metal-semiconductor-transition observed in Bi2Ca(Sr, Ba)2Co2O8+δ single crystals

Electrical property evolution of Bi2AE2Co2O8+δ single crystals (AE = Ca, Sr and Ba) is systematically explored. When AE changes from Ca to Ba, the electrical property of Bi2Ca2Co2O8+δ and Bi2Sr2Co2O8+δ demonstrates semiconductor-like properties. But Bi2Ba2Co2O8+δ shows the metallic behavior. Analysis of temperature-dependent resistance substantiates that from metallic Bi2Ba2Co2O8+δ to semiconductor-like Bi2Sr2Co2O8+δ can be attributed to Anderson localization. However the semiconductor behaviour of Bi2Sr2Co2O8+δ and Bi2Ca2Co2O8+δ is related to electronic correlations effect that is inferred by large negative magnetoresistance (∼70%). The theoretical electronic structures and valence X-ray photoemission spectroscopy substantiate that there is a relative large density of state around Fermi level in Bi2Ba2Co2O8+δ compared with other two compounds. It suggests that Bi2Ba2Co2O8+δ is more apt to be metal in this material system.

A Methodology for the Investigation of Speaker’s Knowledge of Structure in Athabaskan

0. Introduction The purpose of this paper is to investigate methodologies that get at speakers’ tacit knowledge of structure in polysynthetic languages. As linguists we need theoretical structures that both link languages to other languages and are internally cohesive. Polysynthetic languages pose a particular challenge to linguistic theories because of the internal complexity of the word. Polysynthesis generally refers to language types in which the verbal structure is semantically rich, morphologically complex with an opaque morpheme structure. In polysynthetic languages, word formation is often characterized as an often highly abstract concatenation of virtual morphemes that are conditioned by post hoc morphophonemic rules. However in light of their learnability and their overall long-term stability as polysynthetic, a more parsimonious model is likely to have an advantage over abstract models where internal structure is obscure. Adding to the problem, crucially, given that polysynthetic languages as a rule are often severely under-documented, the availability of data on polysynthesis in no way is comparable to that found with better-studied languages like English, which places us at a severe disadvantage in our understanding of them. With pre-theoretic assumptions in place concerning the nature of polysynthesis, the models resulting from research naturally tend toward translations of polysynthesis into analytic frameworks. We consider such approaches to be limited in their productivity and insight; the rest of this paper focuses on the development of new methodologies for the investigation of polysynthetic languages using Navajo, a canonical example of a polysynthetic language as our test case, expandable to the Athabaskan family. Some of the essential issues presented by polysynthesis are: the nature of lexical productivity, the structure of a verb-based lexicon, the nature of evidence for theory, techniques of language documentation, and the nature of language change in lexically complex languages.