SciTech News Volume 71, No. 1 (2017)

Columns and Reports From the Editor 3 Division News Science-Technology Division 5 Chemistry Division 8 Engineering Division Aerospace Section of the Engineering Division 9 Architecture, Building Engineering, Construction and Design Section of the Engineering Division 11 Reviews Sci-Tech Book News Reviews 12 Advertisements IEEE

Detailed population balance modelling of industrial titania synthesis

This thesis presents an efficient and robust detailed population balance framework for simulating aerosol synthesis of structured particles using a stochastic method. This is developed in the context of the industrial titania (TiO2) process to enable extensive numerical characterisation of the pigmentary product. A reactor network model is used to provide a modular treatment of the reactor and account for key features, including multiple reactant injections, and tubular reaction and cooling zones. This approach simplifies the flow field in order to focus computational effort on resolving particle structure using a high-dimensional particle model and its modularity offers flexibility to investigate different configurations. Initial results are presented using a pre-defined temperature profile in the network, and the particulate product is characterised by its property distributions. Numerical performance is studied, highlighting the high computational cost of simulating strong phase-coupling, fast process rates, and broad particle size distributions. A novel hybrid particle model is developed to address these challenges. The hybrid particle model employs a univariate description of small particles and switches to a detailed particle model to resolve morphology of more complicated, aggregate particles. New simulation algorithms are presented to manage interactions between particles of each type. The hybrid model is shown to improve efficiency (resolution versus computational cost) and robustness (sensitivity to numerical parameters), while generating the same solutions and convergence behaviour as earlier models. The reactor model is extended, utilizing the superior numerical performance of the new hybrid particle model to enable inclusion of a system energy balance for more accurate study of a broad range of process conditions, and a more sophisticated particle model to resolve particle geometry. These contributions facilitate the study of particle structure and its sensitivity to reactor design and operational choices, providing insight into how operation affects characteristics of the particles and allowing direct comparison with experimental images of the pigmentary product.This research was supported by the National Research Foundation, Prime Minister's Office, Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) programme, and by Venator

The History of the Quantitative Methods in Finance Conference Series. 1992-2007

This report charts the history of the Quantitative Methods in Finance (QMF) conference from its beginning in 1993 to the 15th conference in 2007. It lists alphabetically the 1037 speakers who presented at all 15 conferences and the titles of their papers.

Enterprise Engineering and Management at the Crossroads

The article provides an overview of the challenges and the state of the art of the discipline of Enterprise Architecture (EA), with emphasis on the challenges and future development opportunities of the underlying Information System (IS), and its IT implementation, the Enterprise Information System (EIS). The first challenge is to overcome the narrowness of scope of present practice in IS and EA, and re-gain the coverage of the entire business on all levels of management, and a holistic and systemic coverage of the enterprise as an economic entity in its social and ecological environment. The second challenge is how to face the problems caused by complexity that limit the controllability and manageability of the enterprise as a system. The third challenge is connected with the complexity problem, and describes fundamental issues of sustainability and viability. Following from the third, the fourth challenge is to identify modes of survival for systems, and dynamic system architectures that evolve and are resilient to changes of the environment in which they live. The state of the art section provides pointers to possible radical changes to models, methodologies, theories and tools in EIS design and implementation, with the potential to solve these grand challenges.Griffith Sciences, School of Information and Communication TechnologyNo Full Tex

Structural Prediction of Protein–Protein Interactions by Docking: Application to Biomedical Problems

A huge amount of genetic information is available thanks to the recent advances in sequencing technologies and the larger computational capabilities, but the interpretation of such genetic data at phenotypic level remains elusive. One of the reasons is that proteins are not acting alone, but are specifically interacting with other proteins and biomolecules, forming intricate interaction networks that are essential for the majority of cell processes and pathological conditions. Thus, characterizing such interaction networks is an important step in understanding how information flows from gene to phenotype. Indeed, structural characterization of protein–protein interactions at atomic resolution has many applications in biomedicine, from diagnosis and vaccine design, to drug discovery. However, despite the advances of experimental structural determination, the number of interactions for which there is available structural data is still very small. In this context, a complementary approach is computational modeling of protein interactions by docking, which is usually composed of two major phases: (i) sampling of the possible binding modes between the interacting molecules and (ii) scoring for the identification of the correct orientations. In addition, prediction of interface and hot-spot residues is very useful in order to guide and interpret mutagenesis experiments, as well as to understand functional and mechanistic aspects of the interaction. Computational docking is already being applied to specific biomedical problems within the context of personalized medicine, for instance, helping to interpret pathological mutations involved in protein–protein interactions, or providing modeled structural data for drug discovery targeting protein–protein interactions.Spanish Ministry of Economy grant number BIO2016-79960-R; D.B.B. is supported by a predoctoral fellowship from CONACyT; M.R. is supported by an FPI fellowship from the Severo Ochoa program. We are grateful to the Joint BSC-CRG-IRB Programme in Computational Biology.Peer ReviewedPostprint (author's final draft

SHMD \u272024 – Book of abstracts

Book of abstracts of the 17th International Symposium of the Croatian Metallurgical Society - SHMD \u272024 - Materials and metallurgy, Zagreb, Croatia, April 18-19 2024

Interactions Between University-Company-Government and the Entrepreneurial Ecosystems: Systematic Literature Review

This research aimed to analyze how scientific and technological publications have characterized, in the last ten years, the interaction between university, business, government and entrepreneurial ecosystems for innovation. Therefore, a research was carried out whose objective was bibliographical in nature, with a qualitative, descriptive approach, covering the period from 2011 to the first quarter of 2021, using, for this purpose, the databases ScienceDirect and Scopus. Then, the results found were analyzed using the My-SAE and VOSViewer software. The results showed that there is a predominance of studies on university entrepreneurship and how the dissemination of knowledge learned in universities contributes to the sustainable development of entrepreneurial ecosystems through the emergence of new entrepreneurial agents. As research results, the entrepreneurial ecosystem with a complex adaptive system, the predominance of studies on university entrepreneurship, innovation, regional economy and sustainable development was presented