Parameterization of the proline analogue Aze (azetidine-2-carboxylic acid) for molecular dynamics simulations and evaluation of its effect on homo-pentapeptide conformations.

in Journal of Molecular Graphics and Modelling (2013), 39

We have parameterized and evaluated the proline homologue Aze (azetidine-2-carboxylic acid) for the gromos56a3 force-field for use in molecular dynamics simulations using GROMACS. Using bi-phasic ... [more ▼]

We have parameterized and evaluated the proline homologue Aze (azetidine-2-carboxylic acid) for the gromos56a3 force-field for use in molecular dynamics simulations using GROMACS. Using bi-phasic cyclohexane/water simulation systems and homo-pentapeptides, we measured the Aze solute interaction potential energies, ability to hydrogen bond with water, and overall compaction, for comparison to Pro, Gly, and Lys. Compared to Pro, Aze has a slightly higher H-bonding potential, and stronger electrostatic but weaker non-electrostatic interactions with water. The 20-ns simulations revealed the preferential positioning of Aze and Pro at the interface of the water and cyclohexane layers, with Aze spending more time in the aqueous layer. We also demonstrated through simulations of the homo-pentapeptides that Aze has a greater propensity than Pro to undergo trans-->cis peptide bond isomerization, which results in a severe 180 degrees bend in the polypeptide chain. The results provide evidence for the hypothesis that the misincorporation of Aze within proline-rich regions of proteins could disrupt the formation of poly-proline type II structures and compromise events such as recognition and binding by SH3-domains. [less ▲]

Frequency-domain subspace identification of nonlinear mechanical systems - Application to a solar array structure

in Proceedings of the International Modal Analysis Conference (IMAC) XXXI (2013)

The present paper addresses the experimental identification of a simplified realisation of a solar array structure in folded configuration. To this end, a nonlinear subspace identification technique ... [more ▼]

The present paper addresses the experimental identification of a simplified realisation of a solar array structure in folded configuration. To this end, a nonlinear subspace identification technique formulated in the frequency domain, referred to as the FNSI method, is exploited. The frequency response functions of the underlying linear structure and the nonlinear coefficients are estimated by this approach. Nonlinearity is caused by impacts between adjacent panels and friction and gaps appearing in their clamping interfaces. This application is challenging for several reasons, which include high modal density and the complicated nature of the involved nonlinear mechanisms. [less ▲]

Explaining stakeholder involvement in social enterprise governance through resources and legitimacy

in Laville, Jean-Louis; Young, Dennis; Eynaud, Philippe (Eds.) Governance and Democracy: Civil Society in a Changing World (2013)

In the continuity of stakeholder theory, much of the current literature on (corporate) governance and business ethics looks at how organizations involve their stakeholders at different decision-making ... [more ▼]

In the continuity of stakeholder theory, much of the current literature on (corporate) governance and business ethics looks at how organizations involve their stakeholders at different decision-making levels (Carroll 2004; Clarkson 1995; de Graaf & Herkströter 2007; Freeman & Reed 1983). According to Freeman (1984), stakeholders are ‘any group or individual who can affect or is affected by the achievement of an organization's purpose’ (148); typically: the owners, the managers, the workers, the volunteers, the financing bodies, the partners, the suppliers, the customers/beneficiaries, etc. A continuum of involvement can be highlighted, from the rather passive strategies (stakeholder information) to the more active ones (stakeholder representation). Among the latter, involvement or ‘cooptation’ of stakeholders in the governance structures such as the general assembly and the board of directors is increasingly presented as a strategy mirroring a long-term relationship between the organization and a particular stakeholder category (Mitchell et al. 1997). Traditionally, the owners are the category of stakeholders that is co-opted in the governance structures. Indeed, the power of decision is part of the property rights (Milgrom & Roberts 1992). It allows owners to ensure that the enterprise is run according to their own objectives. Thus, in for-profit enterprises, the investors are the owners and, as such, they have the right to decide. They exercise this right by their presence at the general assembly. But not all enterprises are investors-owned firms. In some enterprises, ownership is in the hand of other stakeholders, like in producer, consumer or worker cooperatives. Others, like nonprofit organizations, can even be seen as firms without owners (Hansmann 1996). This chapter raises the question of stakeholder involvement in social enterprises, which are ‘non-investor owned’ and can broadly be defined here as organizations pursuing social aims through their economic activity (Defourny 2001; Defourny & Nyssens 2006). In these organizations, the configuration of stakeholder involvement contrasts with that of for-profit businesses in at least two ways. First, social enterprises are more likely than other types of organizations to be set up through a process of collective entrepreneurship which often involves a diversity of actors who each have a ‘stake’ in the pursuit of one or several organizational missions (Defourny & Nyssens 2006; Haugh 2007; Petrella 2003). Second, social enterprises seem to have a stronger tendency to give a voice to the actors with whom they interact –i.e., to involve their beneficiaries, supporters, funders or partners within their governance structures (Campi et al. 2006; Huybrechts 2010; Münkner 2004; Rijpens 2010). They usually use legal forms that allow and encourage economic democracy by recognizing stakeholders other than investors the right to participate formally in the governance bodies. While, as suggested by Campi et al. (2006; 2012), the presence of multiple stakeholders observed in a number of social enterprises may be linked with the diverse goals pursued by these organizations, such presence –or absence– may be due to many factors which have no direct links with organizational goals. As suggested in this chapter, the organizational need for resources (in a broad sense) and the drive to conform to external expectations may be two key factors. In any case, the diversified patterns of stakeholder involvement in social enterprises confirm the need for a more comprehensive account of stakeholder involvement in these organizations. Although several attempts have been made to theorize stakeholder involvement in social enterprise governance, it is still a much under-researched topic. We believe that this research gap is due not only to the infancy stage in which social enterprise research is located, but also to a lack of connection and integration of this research within the broader study of organizations. Indeed, while new theoretical developments centered on the specific features of social enterprise are needed, these developments cannot be made independently from the knowledge built for more than a century regarding how organizations are structured and operate. This chapter aims to examine stakeholder involvement in social enterprise governance using two types of theoretical lenses each embodying a rich research tradition in organization theory. The first lens refers to strategy and examines organizations (in this case governance structures) in terms of their dependency on a set of resources. The second lens uses legitimacy arguments to explain organizational governance as a social construct located in a broader setting of social relationships. The first two sections will present each of these views and examine their contributions to understanding stakeholder involvement in the governance structures of social enterprises. Then, a comparative case study on work integration social enterprises will serve to illustrate how both research avenues can be combined so as to better grasp social enterprise governance as a complex and multi-dimensional practice. [less ▲]

Caryl Phillips

in Encyclopedia of Afroeuropean Studies (2013)

SNR dependence of mean kurtosis and how to correct it

in Proceedings of the International Society for Magnetic Resonance in Medicine ... Scientific Meeting and Exhibition. International Society For Magnetic Resonance in Medicine. Scientific Meeting and Exhibition (2013), 21

Bibliothèques média(tisa)trices : le roman chez Charles Sorel et Lenglet Dufresnoy

in Boulerie, Françoise (Ed.) La Médiatisation du littéraire dans l'Europe des XVII et XVIIIe siècles (2013)

PUL inv. G 221 : un fragment de document officiel ?

in Capasso, Mario (Ed.) I papiri dell'Università del Salento (PUL). I. I papiri ieratici e greci (2013)

Psychrophilic enzymes: from folding to function and biotechnology

in Scientifica (2013), 2013(Article ID 512840), 1-28

(Bio)synthesis, extraction and purification of garlic derivatives showing therapeutic properties

in Smagghe, Guy; Boeckx, Pascal; Bossier, Peter (Eds.) et al Communications in Agricultural and Applied Biosciences 2013 (2013)

Garlic has been used worldwide for centuries for its taste but also for its health benefits. Garlic's therapeutic compounds are mostly organosulfur compounds, recognized for their antioxidant, anticancer ... [more ▼]

Garlic has been used worldwide for centuries for its taste but also for its health benefits. Garlic's therapeutic compounds are mostly organosulfur compounds, recognized for their antioxidant, anticancer, anti-inflammatory and antimicrobial activity and their effect on cardiovascular diseases (reviewed by Block, 2010). When the cloves are crushed, allicin is synthesized as the vacuolar enzyme alliinase meets its substrate, the cytoplasmic alliin. Allicin is unstable and undergoes rearrangements to form three main groups of derivatives: allyl sulfides, ajoenes and vinyldithiins. The garlic processing method has a major influence on the products released both in terms of chemical composition and yields. For example, the type of medium (aqueous or oily) and the temperature can favour the formation of specific compounds. Our work aims at studying the influence of - the garlic origin, - the reaction conditions and - the extraction procedures (solvent, microwaves) on the organosulfur compounds formed. Particular attention is given to the stereochemistry and the stability of the compounds. Better understanding of the formation of high value natural molecules is important in order to lead further studies on the biological activity of the compounds or to use them as nutraceuticals. [less ▲]

Sparse Summarization of Robotic Grasp Data

in IEEE International Conference on Robotics and Automation (2013)