3-D multiobservable probabilistic inversion for the compositional and thermal structure of the lithosphere and upper mantle: III. Thermochemical tomography in the Western-Central U.S.

Acknowledgments We are indebted to F. Darbyshire and J. von Hunen for useful comments on earlier versions of this work. This manuscript benefited from thorough and constructive reviews by W. Levandowski and an anonymous reviewer. We also thank J. Connolly, M. Sambridge, B. Kennett, S. Lebedev, B. Shan, U. Faul, and M. Qashqai for insightful discussions about, and contributions to, some of the concepts presented in this paper. The work of J.C.A. has been supported by two Australian Research Council Discovery grants (DP120102372 and DP110104145). Seismic data are from the IRIS DMS. D.L.S. acknowledges support from NSF grant EAR-135866. This is contribution 848 from the ARC Centre of Excellence for Core to Crust Fluid Systems (http://www.ccfs.mq.edu.au) and 1106 in the GEMOC Key Centre (http://www.gemoc.mq.edu.au).Peer reviewedPublisher PD

Implementation of an innovative teaching project in a Chemical Process Design course at the University of Cantabria, Spain

This paper shows the planning, the teaching activities and the evaluation of the learning and teaching process implemented in the Chemical Process Design course at the University of Cantabria, Spain. Educational methods to address the knowledge, skills and attitudes that students who complete the course are expected to acquire are proposed and discussed. Undergraduate and graduate engineers' perceptions of the methodology used are evaluated by means of a questionnaire. Results of the teaching activities and the strengths and weaknesses of the proposed case study are discussed in relation to the course characteristics. The findings of the empirical evaluation shows that the excessive time students had to dedicate to the case study project and dealing with limited information are the most negative aspects obtained, whereas an increase in the students' self-confidence and the practical application of the methodology are the most positive aspects. Finally, improvements are discussed in order to extend the application of the methodology to other courses offered as part of the chemical engineering degree.This work was partially supported with the financial help of the University of Cantabria, 1st and 2nd Teaching Innovation Programs 2011-2012, 2013-2014, Projects Innodesign 1 and 2

Graph-Controlled Insertion-Deletion Systems

In this article, we consider the operations of insertion and deletion working in a graph-controlled manner. We show that like in the case of context-free productions, the computational power is strictly increased when using a control graph: computational completeness can be obtained by systems with insertion or deletion rules involving at most two symbols in a contextual or in a context-free manner and with the control graph having only four nodes.Comment: In Proceedings DCFS 2010, arXiv:1008.127

Branch-and-lift algorithm for deterministic global optimization in nonlinear optimal control

This paper presents a branch-and-lift algorithm for solving optimal control problems with smooth nonlinear dynamics and potentially nonconvex objective and constraint functionals to guaranteed global optimality. This algorithm features a direct sequential method and builds upon a generic, spatial branch-and-bound algorithm. A new operation, called lifting, is introduced, which refines the control parameterization via a Gram-Schmidt orthogonalization process, while simultaneously eliminating control subregions that are either infeasible or that provably cannot contain any global optima. Conditions are given under which the image of the control parameterization error in the state space contracts exponentially as the parameterization order is increased, thereby making the lifting operation efficient. A computational technique based on ellipsoidal calculus is also developed that satisfies these conditions. The practical applicability of branch-and-lift is illustrated in a numerical example. © 2013 Springer Science+Business Media New York

P Systems with Minimal Left and Right Insertion and Deletion

In this article we investigate the operations of insertion and deletion performed at the ends of a string. We show that using these operations in a P systems framework (which corresponds to using specific variants of graph control), computational completeness can even be achieved with the operations of left and right insertion and deletion of only one symbol

Digital Mazes and Spatial Reasoning: Using Colour and Movement to Explore the 4th Dimension

This chapter focuses on innovative developments of four-dimensional digital mazes, examining how these mazes tap into the ideas of mathematician and fiction writer Charles Hinton (1853-1907) who wrote extensively on perception of a 4th geometric dimension. Hinton treats mathematical objects as physical and material movements, and draws on non-Euclidean geometry to argue for a virtual dimension to matter. I discuss recent attempts to build digital mazes that develop spatial sense in four dimensions, and show how these are directly linked to Hinton’s ideas. I focus on how colour and movement in digital environments are used to develop a distinctive kind of spatial sense. This chapter sheds light on innovative uses of digital software for developing student spatial sense. My aim is to explicate the new materialism of Charles Hinton, contribute to discussions about the nature of spatial sense and spatial reasoning, and to point to possible directions for future research on inventive approaches to geometry

Quantum mechanical studies of lincosamides

Lincosamides are a class of antibiotics used both in clinical and veterinary practice for a wide range of pathogens. This group of drugs inhibits the activity of the bacterial ribosome by binding to the 23S RNA of the large ribosomal subunit and blocking protein synthesis. Currently, three X-ray structures of the ribosome in complex with clindamycin are available in the Protein Data Bank, which reveal that there are two distinct conformations of the pyrrolidinyl propyl group of the bound clindamycin. In this work, we used quantum mechanical methods to investigate the probable conformations of clindamycin in order to explain the two binding modes in the ribosomal 23S RNA. We studied three lincosamide antibiotics: clindamycin, lincomycin, and pirlimycin at the B3LYP level with the 6-31G** basis set. The focus of our work was to connect the conformational landscape and electron densities of the two clindamycin conformers found experimentally with their physicochemical properties. For both functional conformers, we applied natural bond orbital (NBO) analysis and the atoms in molecules (AIM) theory, and calculated the NMR parameters. Based on the results obtained, we were able to show that the structure with the intramolecular hydrogen bond C=O…H–O is the most stable conformer of clindamycin. The charge transfer between the pyrrolidine-derivative ring and the six-atom sugar (methylthiolincosamide), which are linked via an amide bond, was found to be the dominant factor influencing the high stability of this conformer

Identifying quantitative operation principles in metabolic pathways: a systematic method for searching feasible enzyme activity patterns leading to cellular adaptive responses

<p>Abstract</p> <p>Background</p> <p>Optimization methods allow designing changes in a system so that specific goals are attained. These techniques are fundamental for metabolic engineering. However, they are not directly applicable for investigating the evolution of metabolic adaptation to environmental changes. Although biological systems have evolved by natural selection and result in well-adapted systems, we can hardly expect that actual metabolic processes are at the theoretical optimum that could result from an optimization analysis. More likely, natural systems are to be found in a feasible region compatible with global physiological requirements.</p> <p>Results</p> <p>We first present a new method for globally optimizing nonlinear models of metabolic pathways that are based on the Generalized Mass Action (GMA) representation. The optimization task is posed as a nonconvex nonlinear programming (NLP) problem that is solved by an outer-approximation algorithm. This method relies on solving iteratively reduced NLP slave subproblems and mixed-integer linear programming (MILP) master problems that provide valid upper and lower bounds, respectively, on the global solution to the original NLP. The capabilities of this method are illustrated through its application to the anaerobic fermentation pathway in <it>Saccharomyces cerevisiae</it>. We next introduce a method to identify the feasibility parametric regions that allow a system to meet a set of physiological constraints that can be represented in mathematical terms through algebraic equations. This technique is based on applying the outer-approximation based algorithm iteratively over a reduced search space in order to identify regions that contain feasible solutions to the problem and discard others in which no feasible solution exists. As an example, we characterize the feasible enzyme activity changes that are compatible with an appropriate adaptive response of yeast <it>Saccharomyces cerevisiae </it>to heat shock</p> <p>Conclusion</p> <p>Our results show the utility of the suggested approach for investigating the evolution of adaptive responses to environmental changes. The proposed method can be used in other important applications such as the evaluation of parameter changes that are compatible with health and disease states.</p

Deciding Together?:Best Interests and Shared Decision-Making in Paediatric Intensive Care

In the western healthcare, shared decision making has become the orthodox approach to making healthcare choices as a way of promoting patient autonomy. Despite the fact that the autonomy paradigm is poorly suited to paediatric decision making, such an approach is enshrined in English common law. When reaching moral decisions, for instance when it is unclear whether treatment or non-treatment will serve a child’s best interests, shared decision making is particularly questionable because agreement does not ensure moral validity. With reference to current common law and focusing on intensive care practice, this paper investigates what claims shared decision making may have to legitimacy in a paediatric intensive care setting. Drawing on key texts, I suggest these identify advantages to parents and clinicians but not to the child who is the subject of the decision. Without evidence that shared decision making increases the quality of the decision that is being made, it appears that a focus on the shared nature of a decision does not cohere with the principle that the best interests of the child should remain paramount. In the face of significant pressures toward the displacement of the child’s interests in a shared decision, advantages of a shared decision to decisional quality require elucidation. Although a number of arguments of this nature may have potential, should no such advantages be demonstrable we have cause to revise our commitment to either shared decision making or the paramountcy of the child in these circumstances