COMPUTATIONAL PREDICTION OF THE SPORULATION NETWORK IN CLOSTRIDIUM THERMOCELLUM

Sporulation is a process in which some bacteria divide asymmetrically to form tough protective endospores, which help them to survive in a hazardous environment for a quite long time. The factors which can trigger this process are diverse. Heat, radiation, chemicals and lacking of nutrition can all lead to the formation of endospores. This phenomenon will lead to low productivity during industrial production. However, the sporulation mechanism in a spore-forming bacterium, Clostridium theromcellum, is still unclear. Therefore, if a regulation network of sporulation can be built, we may figure out ways to inhibit this process. In this study, a computational method is applied to predict the sporulation network in Clostridium theromcellum. A working sporulation network model with 40 new predicted genes and 4 function groups is built by using a network construction program, CINPER. 5 sets of microarray expression data in Clostridium theromcellum under different conditions have been collected. The analysis shows the predicted result is reasonable.

ADVANCED COMPUTATIONAL MODELING OF THE INTERNAL STRUCTURE OF SMART WIND-TURBINE BLADES

Implementation of stable aeroelastic models with the ability to capture the complex features of Multi concept smartblades is a prime step in reducing the uncertainties that come along with blade dynamics. The numerical simulations of fluid structure interaction can thus be used to test a realistic scenarios comprising of full-scale blades at a reasonably low computational cost. A code which was a combination of two advanced numerical models was designed and was run with the help of paralell HPC supercomputer platform. The first model was based on a variation of dimensional reduction technique proposed by Hodges and Yu. This model was the one to record the structural response of heterogenous composite blades. This technique reduces the geometrical complexities of the heterogenous blade section into a stiffness matrix for an equivalent beam. This derived equivalent 1-D strain energy matrix is similar to the actual 3-D strain energy matrix in an asymptotic sense. As this 1-D matrix helps in accurately modeling the blade structure as a 1-D finite element problem, this substantially redues the computational effort and subsequently the computational cost that are required to model the structural dynamics at each step. Second model comprises of implementation of the Blade Element Momentum Theory. In this approach we map all the velocities and the forces with the help of orthogonal matrices that help in capturing the large deformations and the effects of rotations in calculating the aerodynamic forces. This ultimately helps us to take into account the complex flexo torsional deformations. In this thesis we have succesfully tested these computayinal tools developed by MTU’s research team lead by for the aero elastic analysis of wind-turbine blades. The validation in this thesis is majorly based on several experiments done on NREL-5MW blade, as this is widely accepted as a benchmark blade in the wind industry. Along with the use of this innovative model the internal blade structure was also changed to add up to the existing benefits of the already advanced numerical models.

A NATURALISTIC COMPUTATIONAL MODEL OF HUMAN BEHAVIOR IN NAVIGATION AND SEARCH TASKS

Planning, navigation, and search are fundamental human cognitive abilities central to spatial problem solving in search and rescue, law enforcement, and military operations. Despite a wealth of literature concerning naturalistic spatial problem solving in animals, literature on naturalistic spatial problem solving in humans is comparatively lacking and generally conducted by separate camps among which there is little crosstalk. Addressing this deficiency will allow us to predict spatial decision making in operational environments, and understand the factors leading to those decisions. The present dissertation is comprised of two related efforts, (1) a set of empirical research studies intended to identify characteristics of planning, execution, and memory in naturalistic spatial problem solving tasks, and (2) a computational modeling effort to develop a model of naturalistic spatial problem solving. The results of the behavioral studies indicate that problem space hierarchical representations are linear in shape, and that human solutions are produced according to multiple optimization criteria. The Mixed Criteria Model presented in this dissertation accounts for global and local human performance in a traditional and naturalistic Traveling Salesman Problem. The results of the empirical and modeling efforts hold implications for basic and applied science in domains such as problem solving, operations research, human-computer interaction, and artificial intelligence.

Computational Evaluation of Wind Loads on Low- and High- Rise Buildings

Buildings and other infrastructures located in the coastal regions of the US have a higher level of wind vulnerability. Reducing the increasing property losses and causalities associated with severe windstorms has been the central research focus of the wind engineering community. The present wind engineering toolbox consists of building codes and standards, laboratory experiments, and field measurements. The American Society of Civil Engineers (ASCE) 7 standard provides wind loads only for buildings with common shapes. For complex cases it refers to physical modeling. Although this option can be economically viable for large projects, it is not cost-effective for low-rise residential houses. To circumvent these limitations, a numerical approach based on the techniques of Computational Fluid Dynamics (CFD) has been developed. The recent advance in computing technology and significant developments in turbulence modeling is making numerical evaluation of wind effects a more affordable approach. The present study targeted those cases that are not addressed by the standards. These include wind loads on complex roofs for low-rise buildings, aerodynamics of tall buildings, and effects of complex surrounding buildings. Among all the turbulence models investigated, the large eddy simulation (LES) model performed the best in predicting wind loads. The application of a spatially evolving time-dependent wind velocity field with the relevant turbulence structures at the inlet boundaries was found to be essential. All the results were compared and validated with experimental data. The study also revealed CFD’s unique flow visualization and aerodynamic data generation capabilities along with a better understanding of the complex three-dimensional aerodynamics of wind-structure interactions. With the proper modeling that realistically represents the actual turbulent atmospheric boundary layer flow, CFD can offer an economical alternative to the existing wind engineering tools. CFD’s easy accessibility is expected to transform the practice of structural design for wind, resulting in more wind-resilient and sustainable systems by encouraging optimal aerodynamic and sustainable structural/building design. Thus, this method will help ensure public safety and reduce economic losses due to wind perils.

Nuclear Magnetic Resonance Spectroscopic and Computational Investigations of Chloroperoxidase Catalyzed Regio- and Enantio-Selective Transformations

Chloroperoxidase (CPO) is the most versatile heme-containing enzyme that catalyzes a broad spectrum of reactions. The remarkable feature of this enzyme is the high regio- and enantio-selectivity exhibited in CPO-catalyzed oxidation reactions. The aim of this dissertation is to elucidate the structural basis for regio- and enantio-selective transformations and investigate the application of CPO in biodegradation of synthetic dyes. To unravel the mechanism of CPO-catalyzed regioselective oxidation of indole, the dissertation explored the structure of CPO-indole complex using paramagnetic relaxation and molecular modeling. The distances between the protons of indole and the heme iron revealed that the pyrrole ring of indole is oriented toward the heme with its 2-H pointing directly at the heme iron. This provides the first experimental and theoretical explanation for the "unexpected" regioselectivity of CPO-catalyzed indole oxidation. Furthermore, the residues including Leu 70, Phe 103, Ile 179, Val 182, Glu 183, and Phe 186 were found essential to the substrate binding to CPO. These results will serve as a lighthouse in guiding the design of CPO mutants with tailor-made activities for biotechnological applications. To understand the origin of the enantioselectivity of CPO-catalyzed oxidation reactions, the interactions of CPO with substrates such as 2-(methylthio)thiophene were investigated by nuclear magnetic resonance spectroscopy (NMR) and computational techniques. In particular, the enantioselectivity is partly explained by the binding orientation of substrates. In third facet of this dissertation, a green and efficient system for degradation of synthetic dyes was developed. Several commercial dyes such as orange G were tested in the CPO-H2O2-Cl- system, where degradation of these dyes was found very efficient. The presence of halide ions and acidic pH were found necessary to the decomposition of dyes. Significantly, the results revealed that this degradation of azo dyes involves a ferric hypochlorite intermediate of CPO (Fe-OCl), compound X.

Work creativity as a dimension of job performance

To stay competitive, many employers are looking for creative and innovative employees to add value to their organization. However, current models of job performance overlook creative performance as an important criterion to measure in the workplace. The purpose of this dissertation is to conduct two separate but related studies on creative performance that aim to provide support that creative performance should be included in models of job performance, and ultimately included in performance evaluations in organizations. Study 1 is a meta-analysis on the relationship between creative performance and task performance, and the relationship between creative performance and organizational citizenship behavior (OCB). Overall, I found support for a medium to large corrected correlation for both the creative performance-task performance (ρ = .51) and creative performance-OCB (ρ = .49) relationships. Further, I also found that both rating-source and study location were significant moderators. Study 2 is a process model that includes creative performance alongside task performance and OCB as the outcome variables. I test a model in which both individual differences (specifically: conscientiousness, extraversion, proactive personality, and self-efficacy) and job characteristics (autonomy, feedback, and supervisor support) predict creative performance, task performance, and OCB through engagement as a mediator. In a sample of 299 employed individuals, I found that all the individual differences and job characteristics were positively correlated with all three performance criteria. I also looked at these relationships in a multiple regression framework and most of the individual differences and job characteristics still predicted the performance criteria. In the mediation analyses, I found support for engagement as a significant mediator of the individual differences-performance and job characteristics-performance relationships. Taken together, Study 1 and Study 2 support the notion that creative performance should be included in models of job performance. Implications for both researchers and practitioners alike are discussed.^

A computational model of hydrogen production by steam reforming of dimethyl ether in a large scale CFB reactor. Part II:parametric analysis

This study presents a computational parametric analysis of DME steam reforming in a large scale Circulating Fluidized Bed (CFB) reactor. The Computational Fluid Dynamic (CFD) model used, which is based on Eulerian-Eulerian dispersed flow, has been developed and validated in Part I of this study [1]. The effect of the reactor inlet configuration, gas residence time, inlet temperature and steam to DME ratio on the overall reactor performance and products have all been investigated. The results have shown that the use of double sided solid feeding system remarkable improvement in the flow uniformity, but with limited effect on the reactions and products. The temperature has been found to play a dominant role in increasing the DME conversion and the hydrogen yield. According to the parametric analysis, it is recommended to run the CFB reactor at around 300 °C inlet temperature, 5.5 steam to DME molar ratio, 4 s gas residence time and 37,104 ml gcat -1 h-1 space velocity. At these conditions, the DME conversion and hydrogen molar concentration in the product gas were both found to be around 80%.

Meeting report from the fourth meeting of the Computational Modeling in Biology Network (COMBINE)

This report summarizes the topics and activities of the fourth edition of the annual COMBINE meeting, held in Paris during September 16-20 2013,

An exploration of students’ perceptions and attitudes towards creativity in engineering education

Thesis (Master, Mechanical and Materials Engineering) -- Queen's University, 2016-09-29 17:45:16.051

Creativity, Clusters and the Competitive Advantage of Cities

Purpose – This paper aims to marry Michael Porter’s industrial cluster theory of traded and local clusters to Richard Florida’s occupational approach of creative and routine workers to gain a better understanding of the process of economic development. Design/methodology/approach – Combining these two approaches, four major industrial-occupational categories are identified. The shares of US employment in each – creative-in-traded, creative-in-local, routine-in-traded and routine-in-local – are calculated, and a correlation analysis is used to examine the relationship of each to regional economic development indicators. Findings – Economic growth and development is positively related to employment in the creative-in-traded category. While metros with a higher share of creative-in-traded employment enjoy higher wages and incomes overall, these benefits are not experienced by all worker categories. The share of creative-in-traded employment is also positively and significantly associated with higher inequality. After accounting for higher median housing costs, routine workers in both traded and local industries are found to be relatively worse off in metros with high shares of creative-in-traded employment, on average. Social implications – This work points to the imperative for the US Government and industry to upgrade routine jobs, which make up the majority of all employment, by increasing the creative content of this work. Originality/value – The research is among the first to systematically marry the industry and occupational approaches to clusters and economic development.

Data, Software, and Advanced Computational Usage of University of Washington Research Leaders

Scientific research is increasingly data-intensive, relying more and more upon advanced computational resources to be able to answer the questions most pressing to our society at large. This report presents findings from a brief descriptive survey sent to a sample of 342 leading researchers at the University of Washington (UW), Seattle, Washington in 2010 and 2011 as the first stage of the larger National Science Foundation project “Interacting with Cyberinfrastructure in the Face of Changing Science.” This survey assesses these researcher’s use of advanced computational resources, data, and software in their research. We present high-level findings that describe UW researchers’: demographics, interdisciplinarity, research groups, data use, software and computational use—including software development and use, data storage and transfer activities, and collaboration tools, and computing resources. These findings offer insights into the state of computational resources in use during this time period as well as offering a look at the data intensiveness of UW researchers.

Evaluation of two methods for computational HLA haplotypes inference using a real dataset

info:eu-repo/semantics/publishedVersion

Evaluation of two methods for computational HLA haplotypes inference using a real dataset

info:eu-repo/semantics/publishedVersion

Creación de marca mediante la utilización de mecanismos estratégicos comunitarios y marketing

El presente documento pretende mostrar la manera como se debe ejecutar la creación de marca mediante la utilización de mecanismos estratégicos comunitarios y marketing. El objetivo del estudio se basa en encontrar los mecanismos adecuados para el desarrollo y creación de una marca enfocándose en el análisis de las principales prácticas y modelos desarrollados en el área del marketing, examinando el impacto que la marca pueda generar en la comunidad en la cual la organización está incluida, estableciendo además un conexión directa con el modo de vida de los consumidores. Durante el desarrollo del documento se demuestra que las estrategias de marketing aplicadas por cada compañía, sirven para construir una relación estrecha y fuerte con todos los agentes involucrados en la construcción de una marca, principalmente con los clientes, ya que la forma más efectiva de establecer relaciones a largo plazo, es enfocándose exclusivamente en las necesidades desarrolladas por los consumidores, y a partir de ellas ajustar los valores (misión, visión, cultura organizacional, objetivos) de la organización. Estas estrategias comunitarias son también influenciadas por varios factores internos y externos a la organización, los cuales deben ser tenidos en cuenta al momento de elegir la estrategia adecuada. Los mecanismos estratégicos que desarrollan las empresas pueden cambiar significativamente de un sector comercial a otro, la importancia de las necesidades que se deben suplir y el consumidor final se deben evaluar desde un aspecto comunitario, entendiendo como comunidad como el conjunto de grupos sociales y comerciales que tienen relación directa o indirecta con la empresa. Con la investigación llevada a cabo acerca de las estrategias que deben aplicar las compañías se concluye que las marcas reflejan la imagen que la empresa transmite a sus compradores estableciendo una relación emocional entre los consumidores y la marca desarrollada, además de estimular la oferta y demanda del negocio. Se espera que por medio de la obtención de información teórica y conceptual, se pueda aclarar la manera como se puede desarrollar la creación de una marca por medio de la correcta utilización de mecanismos estratégicos comunitarios y de marketing.