Multi-scale approaches to Food Sciences: computational QM and MM explorations at the microscopic level

L'obiettivo principale della politica di sicurezza alimentare è quello di garantire la salute dei consumatori attraverso regole e protocolli di sicurezza specifici. Al fine di rispondere ai requisiti di sicurezza alimentare e standardizzazione della qualità, nel 2002 il Parlamento Europeo e il Consiglio dell'UE (Regolamento (CE) 178/2002 (CE, 2002)), hanno cercato di uniformare concetti, principi e procedure in modo da fornire una base comune in materia di disciplina degli alimenti e mangimi provenienti da Stati membri a livello comunitario. La formalizzazione di regole e protocolli di standardizzazione dovrebbe però passare attraverso una più dettagliata e accurata comprensione ed armonizzazione delle proprietà globali (macroscopiche), pseudo-locali (mesoscopiche), ed eventualmente, locali (microscopiche) dei prodotti alimentari. L'obiettivo principale di questa tesi di dottorato è di illustrare come le tecniche computazionali possano rappresentare un valido supporto per l'analisi e ciò tramite (i) l’applicazione di protocolli e (ii) miglioramento delle tecniche ampiamente applicate. Una dimostrazione diretta delle potenzialità già offerte dagli approcci computazionali viene offerta nel primo lavoro in cui un virtual screening basato su docking è stato applicato al fine di valutare la preliminare xeno-androgenicità di alcuni contaminanti alimentari. Il secondo e terzo lavoro riguardano lo sviluppo e la convalida di nuovi descrittori chimico-fisici in un contesto 3D-QSAR. Denominata HyPhar (Hydrophobic Pharmacophore), la nuova metodologia così messa a punto è stata usata per esplorare il tema della selettività tra bersagli molecolari strutturalmente correlati e ha così dimostrato di possedere i necessari requisiti di applicabilità e adattabilità in un contesto alimentare. Nel complesso, i risultati ci permettono di essere fiduciosi nel potenziale impatto che le tecniche in silico potranno avere nella identificazione e chiarificazione di eventi molecolari implicati negli aspetti tossicologici e nutrizionali degli alimenti.

Investigating EFL teacher beliefs about teaching and learning

This article reports on research into the beliefs of a group of teachers working in the field of TESOL, specifically teachers of English as a Foreign Language (EFL). In particular, the aim was to see if it is possible to identify a coherent system of beliefs about teaching and learning that may account for different approaches to teaching.

Evaluating approaches to product design and sourcing decisions in multinational companies

Product design and sourcing decisions are among the most difficult and important of all decisions facing multinational manufacturing companies, yet associated decision support and evaluation systems tend to be myopic in nature. Design for manufacture and assembly techniques, for example, generally focuses on manufacturing capability and ignores capacity although both should be considered. Similarly, most modelling and evaluation tools available to examine the performance of various solution and improvement techniques have a narrower scope than desired. A unique collaboration, funded by the US National Science Foundation, between researchers in the USA and the UK currently addresses these problems. This paper describes a technique known as Design For the Existing Environment (DFEE) and an holistic evaluation system based on enterprise simulation that was used to demonstrate the business benefits of DFEE applied in a simple product development and manufacturing case study. A project that will extend these techniques to evaluate global product sourcing strategies is described along with the practical difficulties of building an enterprise simulation on the scale and detail required.

Positive psychology approaches to public services leadership: An introduction to strengths-based leadership

To readers of the popular press, the words ‘positive psychology’ may conjure up images of happiness gurus and people having their feet massaged, their heads resting peacefully on pink, fluffy clouds. But in this article, our aim is to demonstrate how the new science of positive psychology speaks powerfully to - and has much to contribute to - the development of leadership and the practices and processes of organisations, whether in the public or private sectors. Much of our work is concerned with the applications of this new field, and particularly with building strengths-based organisations. A key pillar of this work is around enabling strengths-based leadership, and provides our focus for this article.

Evolving approaches to sovereignty in the French Pacific

This contribution explores notions of sovereignty in the three French territories of the South Pacific: French Polynesia, New Caledonia, and Wallis and Futuna. It also analyses the key nuances and challenges of the transition from aspirations of 'independence' to those of 'shared sovereignty'. From protectorates or colonies to overseas territories (Territoires d'Outre-Mer), these three territories have experienced specific and customised statuses with various degrees of autonomy, all underscoring a fine line between autonomy and sovereignty. Indeed, 'sovereignty' has today become much more synonymous with the concept of 'self-government' or 'large autonomy', as the current situation in French Polynesia demonstrates. Meanwhile, New Caledonia is one step closer to 'full sovereignty', since its actual status includes provisions for a referendum on self-determination between 2014 and 2018. The claim for independence, a characteristic of Kanak and Maohi movements, has become more pragmatically focused, to the extent that considering sovereignty 'in free-association' with France is now a perfectly conceivable option. © 2012 Copyright Taylor and Francis Group, LLC.

Symbiotic approaches to work and technology

Symbiotic design methods aim to take into account technical, social and organizational criteria simultaneously. Over the years, many symbiotic methods have been developed and applied in various countries. Nevertheless, the diagnosis that only technical criteria receive attention in the design of production systems, is still made repeatedly. Examples of symbiotic approaches are presented at three different levels: technical systems, organizations, and the process. From these, discussion points are generated concerning the character of the approaches, the importance of economic motives, the impact of national environments, the necessity of a guided design process, the use of symbiotic methods, and the roles of participants in the design process.

Approaches to sharing knowledge in group problem structuring

Problem-structuring techniques are an integral aspect of 'Soft-OR'. SSM, SAST, Strategic Choice, and JOURNEY Making, all depend for their success on a group developing a shared view of a problem through some form of explicit modelling. The negotiated problem structure becomes the basis for problem resolution. Implicit to this process is an assumption that members of the group share and build their knowledge about the problem domain. This paper explores the extent to which this assumption is reasonable. The research is based on detailed records from the use of JOURNEY Making, where it has used special purpose Group Support software to aid the group problem structuring. This software continuously tracks the contributions of each member of the group and thus the extent to which they appear to be 'connecting' and augmenting their own knowledge with that of other members of the group. Software records of problem resolution in real organisational settings are used to explore the sharing of knowledge among senior managers. These explorations suggest a typology of knowledge sharing. The implications of this typology for problem structuring and an agenda for future research are considered.

Discourse-analytic approaches to text and talk

This chapter explores the different ways in which discourse-analytic approaches reveal the ‘meaningfulness’ of text and talk. It reviews four diverse approaches to discourse analysis of particular value for current research in linguistics: Conversation Analysis (CA), Discourse Analysis (DA), Critical Discourse Analysis (CDA) and Feminist Post-structuralist Discourse Analysis (FPDA). Each approach is examined in terms of its background, motivation, key features, and possible strengths and limitations in relation to the field of linguistics. A key way to schematize discourse-analytic methodology is in terms of its relationship between microanalytical approaches, which examine the finer detail of linguistic interactions in transcripts, and macroanalytical approaches, which consider how broader social processes work through language (Heller, 2001). This chapter assesses whether there is a strength in a discourse-analytic approach that aligns itself exclusively with either a micro- or macrostrategy, or whether, as Heller suggests, the field needs to fi nd a way of ‘undoing’ the micro–macro dichotomy in order to produce richer, more complex insights within linguistic research.

Approaches to issues of job regulation. A study at branch level in a white collar, public sector trade union. Available in 2 volumes.

This study examines the internal dynamics of white collar trade union branches in the public sector. The effects of a number of internal and external factors on branch patterns of action are evaluated. For the purposes of the study branch action is taken to be the approach to issues of job regulation, as expressed along the five dimensions of dependence on the outside trade union, focus in issues adopted, initiation of issues, intensity of action in issue pursuit and representativeness. The setting chosen for the study is four branches drawn from the same geographical area of the National and Local Government Officers Association. Branches were selected to give a variety in industry settings while controlling for the potentially influential variables of branch size, density of trade union membership and possession of exclusive representational rights in the employing organisation. Identical methods of data collection were used for each branch. The principal findings of the study are that the framework of national agreements and industry collective bargaining structures are strongly related to the industrial relations climate in the employing organisation and the structures of representation within the branch. Where agreements and collective bargaining structures formally restrict branch job regulation roles, there is a degree of devolution of bargaining authority from branch level negotiators to autonomous shop stewards at workplace level. In these circumstances industrial relations climate is characterised by a degree of informality in relationships between management and trade union activists. In turn, industrial relations climate and representative structures together with actor attitudes, have strong effects on all dimensions of approach to issues of job regulation.

Politics as text and talk:analytic approaches to political discourse

Human beings are political animals. They are also articulate mammals. How are these two aspects linked? This is a question that is only beginning to be explored. The present collection makes a contribution to the investigations into the use of language in those situations which, informally and intuitively, we call ‘political’. Such an approach is revealing not only for politics itself but also for the human language capacity. Each chapter outlines a particular method or analytic approach and illustrates its application to a contemporary political issue, institution or mode of political behaviour. As a whole, the collection aims to give a sample of current research in the field. It will interest those who are beginning to carry the research paradigm forward, as well as provide an introduction for newcomers, whether they come from neighbouring or remote disciplines or from none.

From local to global: feminist and postcolonial approaches to the relationship between the Antipodes (Galicia-Australia)

Starting from the exploration of the common features related to a postcolonial and feminist analysis, I will attempt to establish new relationships and to open up new perspectives within the cultural exchanges between the two nations, Galicia and Australia, within a global world. On the one hand, this will be new relationships in favour of a non-sexist language which contributes to overcoming gender discrimination; and on the other hand, new relationships which favour a re-evaluation of voices which have been silenced by hegemonic and centralised discourses.