Real and imaginary parts of the vibrational relaxation of acetonitrile in its electrolyte solutions:new results for the dynamics of solvent molecules

Isotropic scattering Raman spectra of liquid acetonitrile (AN) solutions of LiBF4 and NaI at various temperatures and concentrations have been investigated. For the first time imaginary as well as real parts of the solvent vibrational correlation functions have been extracted from the spectra. Such imaginary parts are currently an important component of modern theories of vibrational relaxation in liquids. This investigation thus provides the first experimental data on imaginary parts of a correlation function in AN solutions. Using the fitting algorithm we recently developed, statistically confident models for the Raman spectra were deduced. The parameters of the band shapes, with an additional correction, of the ν2 AN vibration (CN stretching), together with their confidence intervals are also reported for the first time. It is shown that three distinct species, with lifetimes greater than ∼10−13 s, of the AN molecules can be detected in solutions containing Li+ and Na+. These species are attributed to AN molecules directly solvating cations; the single oriented and polarised molecules interleaving the cation and anion of a Solvent Shared Ion Pair (SShIP); and molecules solvating anions. These last are considered to be equivalent to the next layer of solvent molecules, because the CN end of the molecule is distant from the anion and thus less affected by the ionic charge compared with the anion situation. Calculations showed that at the concentrations employed, 1 and 0.3 M, there were essentially no other solvent molecules remaining that could be considered as bulk solvent. Calculations also showed that the internuclear distance in these solutions supported the proposal that the ionic entity dominating in solution was the SShIP, and other evidence was adduced that confirmed the absence of Contact Ion Pairs at these concentrations. The parameters of the shape of the vibrational correlation functions of all three species are reported. The parameters of intramolecular anharmonic coupling between the potential surfaces in AN and the dynamics of the intermolecular environment fluctuations and intermolecular energy transfer are presented. These results will assist investigations made at higher and lower concentrations, when additional species and interactions with AN molecules will be present.

Who wants to be the leader? The discursive construction of emerging leadership in differently gendered teams

Increasingly, scholars are contesting the value of grand theories of leadership in favour of a social constructionist approach that posits the centrality of language for ‘doing’ leadership. This article investigates the extent to which the linguistic enactment of leadership is often gendered, which may have consequences for the career progression of women business leaders. Drawing on a UK-based study of three teams with different gender compositions (men-only; women-only and mixed gender), I use an Interactional Sociolinguistic framework to compare what leadership ‘looks and sounds like’ during the course of a competitive, leadership task. My findings show that the linguistic construction of leadership varies considerably within each team although not always in conventionally gendered ways. The study potentially provides linguistic insights on the business issue of why so few women progress from middle management to senior leadership roles.

Effects of microstructure on long and short crack growth in nickel base superalloys

The use of engineering materials in critical applications necessitates the accurate prediction of component lifetime for inspection and renewal purposes. In fatigue limited situations, it is necessary to be able to predict the growth rates of cracks from initiation at a defect through to final fracture. To this end, fatigue crack growth data are presented for different microstructures of typical nickel base superalloys used in gas turbine engines. Crack growth behaviour throughout the life history of the crack, i.e. from the short crack through to the long crack propagation regime, is described for each microstructural condition and discussed in terms of current theories of fatigue crack propagation.

Interactive data in financial reporting:the construction of the non-professional investor

The Securities and Exchange Commission (SEC) in the United States and in particular its immediately past chairman, Christopher Cox, has been actively promoting an upgrade of the EDGAR system of disseminating filings. The new generation of information provision has been dubbed by Chairman Cox, "Interactive Data" (SEC, 2006). In October this year the Office of Interactive Disclosure was created(http://www.sec.gov/news/press/2007/2007-213.htm). The focus of this paper is to examine the way in which the non-professional investor has been constructed by various actors. We examine the manner in which Interactive Data has been sold as the panacea for financial market 'irregularities' by the SEC and others. The academic literature shows almost no evidence of researching non-professional investors in any real sense (Young, 2006). Both this literature and the behaviour of representatives of institutions such as the SEC and FSA appears to find it convenient to construct this class of investor in a particular form and to speak for them. We theorise the activities of the SEC and its chairman in particular over a period of about three years, both following and prior to the 'credit crunch'. Our approach is to examine a selection of the policy documents released by the SEC and other interested parties and the statements made by some of the policy makers and regulators central to the programme to advance the socio-technical project that is constituted by Interactive Data. We adopt insights from ANT and more particularly the sociology of translation (Callon, 1986; Latour, 1987, 2005; Law, 1996, 2002; Law & Singleton, 2005) to show how individuals and regulators have acted as spokespersons for this malleable class of investor. We theorise the processes of accountability to investors and others and in so doing reveal the regulatory bodies taking the regulated for granted. The possible implications of technological developments in digital reporting have been identified also by the CEO's of the six biggest audit firms in a discussion document on the role of accounting information and audit in the future of global capital markets (DiPiazza et al., 2006). The potential for digital reporting enabled through XBRL to "revolutionize the entire company reporting model" (p.16) is discussed and they conclude that the new model "should be driven by the wants of investors and other users of company information,..." (p.17; emphasis in the original). Here rather than examine the somewhat illusive and vexing question of whether adding interactive functionality to 'traditional' reports can achieve the benefits claimed for nonprofessional investors we wish to consider the rhetorical and discursive moves in which the SEC and others have engaged to present such developments as providing clearer reporting and accountability standards and serving the interests of this constructed and largely unknown group - the non-professional investor.

Sexuality and Christianity:understanding the attitudes and negotiations of young adults in the UK

Christianity has historically incorporated numerous strands of thinking on sexuality; in some cases, problematizing sexuality through the endorsement of celibacy and asceticism while at other historical and contextual moments, marriage and procreation become ideals (Price 2006). Contemporary Christians negotiate many sexual scripts (including ‘secular’ ones), but ‘appropriate’ Christian sexuality is still usually defined in terms of monogamy, the containment of sex within marriage, and heterosexuality. This chapter will explore the attitudes, beliefs and practices toward sexuality of young Christian women and men aged between 18 and 25 and living in the UK, based on a qualitative and quantitative research project entitled Religion, Youth and Sexuality: A Multi-faith Exploration, which utilized questionnaires, in-depth interviews and video diaries. The chapter will consider the variations in attitude between young people from different Christian denominations in relation to three themes: sex outside of marriage, celibacy and monogamy.

Conditions of Effectiveness of Pattern Recognition Problem Solution Using Logical Level Descriptions of Classes

Earlier the authors have suggested a logical level description of classes which allows to reduce a solution of various pattern recognition problems to solution of a sequence of one-type problems with the less dimension. Here conditions of the effectiveness of the use of such a level descriptions are proposed.

On the Models of Development and Distribution of Software

The notion model of development and distribution of software (MDDS) is introduced and its role for the efficiency of the software products is stressed. Two classical MDDS are presented and some attempts to adapt them to the contemporary trends in web-based software design are described. Advantages and shortcomings of the obtained models are outlined. In conclusion the desired features of a better MDDS for web-based solutions are given.

Multicriteria Evaluation and Optimization of Hierarchical Systems

It is shown that any multicriteria problem can be represented by a hierarchical system. Separate properties of the object are evaluated at the lower level of the system, using a criteria vector, and a composition mechanism is used to evaluate the object as a whole at the upper level. The paper proposes a method to solve complex multicriteria problems of evaluation and optimization. It is based on nested scalar convolutions of vector- valued criteria and allows simple structural and parametrical synthesis of multicriteria hierarchical systems.

Common Scientific Lexicon for Automatic Discourse Analysis of Scientific and Technical Texts

The paper reports on preliminary results of an ongoing research aiming at development of an automatic procedure for recognition of discourse-compositional structure of scientific and technical texts, which is required in many NLP applications. The procedure exploits as discourse markers various domain-independent words and expressions that are specific for scientific and technical texts and organize scientific discourse. The paper discusses features of scientific discourse and common scientific lexicon comprising such words and expressions. Methodological issues of development of a computer dictionary for common scientific lexicon are concerned; basic principles of its organization are described as well. Main steps of the discourse-analyzing procedure based on the dictionary and surface syntactical analysis are pointed out.

The New Software Package for Dynamic Hierarchical Clustering for Circles Types of Shapes

In data mining, efforts have focused on finding methods for efficient and effective cluster analysis in large databases. Active themes of research focus on the scalability of clustering methods, the effectiveness of methods for clustering complex shapes and types of data, high-dimensional clustering techniques, and methods for clustering mixed numerical and categorical data in large databases. One of the most accuracy approach based on dynamic modeling of cluster similarity is called Chameleon. In this paper we present a modified hierarchical clustering algorithm that used the main idea of Chameleon and the effectiveness of suggested approach will be demonstrated by the experimental results.

Limit Behaviour of Dynamic Rule-based Systems

The paper suggests a classification of dynamic rule-based systems. For each class of systems, limit behavior is studied. Systems with stabilizing limit states or stabilizing limit trajectories are identified, and such states and trajectories are found. The structure of the set of limit states and trajectories is investigated.

The Localization Procedures of the Vector of Weighting Coefficients for Fuzzy Models of Choice

The author analyzes the localization procedures of the vector of weighting coefficients which are based on presenting the function of value by additive reduction adapted to fuzzy models of choice.

Conceptual Foundations of Construction of the Models and Procedures for Prediction of the Avalanche-dangerous Situations Initiation

The conceptual foundations of the models and procedures for prediction of the avalanche-dangerous situations initiation are considered. The interpretation model for analysis of the avalanche-dangerous situations initiation based on the definition of probabilities of correspondence of studied parameters to the probabilistic distributions of avalanche-dangerous or avalanche non-dangerous situations is offered. The possibility to apply such a model to the real data is considered. The main approaches to the use of multiple representations for the avalanche dangerous situations initiation analysis are generalized.

The Role of DBMS in Analytical Processes of the Logistic of Stock Reserves

One of main problems of corporate information systems is the precise evaluation of speed of transactions and the speed of making reports. The core of the problem is based on the DBMS that is used. Most DBMS which are oriented for high performance and reliability of transactions do not give fast access to analytical and summarized data and vice versa. It is quite difficult to estimate which class of database to use. The author of the article gives a concise observation of the problem and a possible way to be solved.

Technology of Storage and Processing of Electronic Documents with Intellectual Search Properties

The technology of record, storage and processing of the texts, based on creation of integer index cycles is discussed. Algorithms of exact-match search and search similar on the basis of inquiry in a natural language are considered. The software realizing offered approaches is described, and examples of the electronic archives possessing properties of intellectual search are resulted.