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Open computing grid for molecular science and engineering.

Grid is an emerging infrastructure for distributed computing that provides secure and scalable mechanisms for discovering and accessing remote software and data resources. Applications built on this infrastructure have great potential for addressing and solving large scale chemical, pharmaceutical, and material science problems. The article describes the concept behind grid computing and will present the OpenMolGRID system that is an open computing grid for molecular science and engineering. This system provides grid enabled components, such as a data warehouse for chemical data, software for building QSPR/QSAR models, and molecular engineering tools for generating compounds with predefined chemical properties or biological activities. The article also provides an overview about the availability of chemical applications in the grid.

Journal Article↗

The role of computational fluid dynamics (CFD) in hair science.

The use of computational fluid dynamics (CFD) as a virtual prototyping tool is widespread in the consumer packaged goods industry. CFD refers to the calculation on a computer of the velocity, pressure, and temperature and chemical species concentrations within a flowing liquid or gas. Because the performance of manufacturing equipment and product designs can be simulated on the computer, the benefit of using CFD is significant time and cost savings when compared to traditional physical testing methods. CFD has been used to design, scale-up and troubleshoot mixing tanks, spray dryers, heat exchangers and other process equipment. Recently, computer models of the capillary wicking process inside fibrous structures have been added to CFD software. These models have been used to gain a better understanding of the absorbent performance of diapers and feminine protection products. The same models can also be used to represent the movement of shampoo, conditioner, colorants and other products through the hair and scalp. In this paper, we provide an introduction to CFD and show some examples of its application to the manufacture of consumer products. We also provide sonic examples to show the potential of CFD for understanding the performance of products applied to the hair and scalp.

Computer-Aided Design↗

From peptide-based material science to protein fibrils: discipline convergence in nanobiology.

This paper illustrates the merits of convergence in nanobiology of two seemingly disparate fields, material science and computational biology. Traditionally, material science has been a discipline involving design and fabrication of synthetic polymers consisting of repeating units. Collaboration with synthetic organic chemists allowed design of new polymers, with a range of altered conformations. Yet, naturally occurring proteins are also materials. Their varied sequences and structures should enrich material science providing more complex shapes, scaffolds and chemical properties. For material scientists, the enhanced coverage of chemical space obtained by integrating proteins and synthetic organic chemistry through the introduction of non-natural residues allows a range of new useful potential applications.

Biocompatible Materials↗

Nursing informatics: could this new specialty be for you?

The greatest challenge facing home care today is the need to provide the highest standards of care at a time when funds are cut and outcomes must be closely measured. From this challenge has emerged a specialty that integrates information science and computer technology with nursing science: nursing informatics. This article discusses the basics of the field and how home care nurses can best step into the role.

Career Choice↗

Instructional multimedia computing in the health sciences.

This article focuses on the development and utilization of interactive videodisc (IVD) and multimedia instruction in the health sciences. The characteristics of IVD and multimedia are outlined and the four levels of IVD systems that can be used in health science education are described. The advantages of utilization of videodisc or multimedia materials are presented, as well as instructional approaches. Potential applications such as simulations, tutorials, role-modeling, and drill-and-practice are described. Research findings, levels of curricular integration, instructional delivery, and courseware networking are also described. The article concludes with suggestions for institutional development of IVD materials or the incorporation of off-the-shelf programs into health science curricula.

Computer-Assisted Instruction↗

Trends in complexity theories and computation in the social sciences.

A modified bibliometric study and citation analysis of the use of complexity theories, encompassing chaos and complexity theory, and computational simulation in published literature was conducted. Articles published during 1971-1999 in four disciplines were examined: business, education, psychology and sociology. Overall, there was a marked pattern of increased use in the terms within the social sciences. There was a differentiated use of the terms between disciplines. A qualitative study on a subset from each discipline was generated to create a disciplinary profile of the quantitative and qualitative use of the terms in research activities, called a problem topology. Three research implications that arise from the differential adaptation of the theories and methods into the four social sciences are discussed.

Humans↗

Anatomical informatics: Millennial perspectives on a newer frontier.

One of the most ancient of sciences, anatomy has evolved over many centuries. Its methods have progressively encompassed dissection instruments, manual illustration, stains, microscopes, cameras and photography, and digital imaging systems. Like many other more modern scientific disciplines in the late 20th century, anatomy has also benefited from the revolutionary development of digital computers and their automated information management and analytical capabilities. By using newer methods of computer and information sciences, anatomists have made outstanding contributions to science, medicine, and education. In that regard, there is a strong rationale for recognizing anatomical informatics as a proper subdiscipline of anatomy. A high-level survey of the field reveals important anatomical applications of computer sciences methods in imaging, image processing and visualization, virtual reality, modeling and simulation, structural database processing, networking, and artificial intelligence. Within this framework, computational anatomy is a developing field focusing on data-driven mathematical models of bodily structures. Mastering such computer sciences and informatics methods is crucial for new anatomists, who will shape the future in research, clinical knowledge, and teaching.

Anatomy↗

Interactive computer-video modules for health sciences education.

Advances in electronic image recording and computer technology have resulted in a remarkable increase in the power and flexibility of interactive computer-video teaching systems. The University of Washington Health Science Videodisc Development Group first demonstrated a laser videodisc controlled by a remote central computer in 1980. Even this rudimentary unit highlighted basic medical informatics principles including: rapid accessibility; a "generic" or multi-purposed format; ease of computer control; and large collections of valid, rigorously reviewed images. Advances in medical informatics have led to the development of the following previously undescribed series of teaching units: 1. The hypertext programs Hypercard, Linkway, and Guide have been used with videodiscs to develop easy-to-use instructional and reference materials. These materials demonstrate the ease with which a computer-naive instructor may develop new programs and the advantages that the intuitive nature of these programs brings to student users. 2. Patient simulations using single and double screens plus pre-defined knowledge structures; 3. Interactive single topic tutorials using preset knowledge structures; 4. A key-word-based disc searching system; 5. Electronic video microscopy; 6. A series of programs developed independently by health science faculty who have purchased multi-purpose videodiscs that demonstrate the flexibility of the multi-purpose or "generic": collection concept.

Computer Simulation↗