Test of enhanced electronic journals begins - C&EN Global Enterprise

Sep 14, 1992 - In a development that points the way toward the future of information delivery to the scientist's desktop, Cornell University chemists ...
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environment is already supported by other agencies. Rather, the joint initiative between NSF and CCR intends to finance longrange research supporting new synthetic methodologies, novel process designs, and process improvements that would reduce the potential for environmental release in the first place. Projects are being sought that would lead to feedstock substitutions, alternative synthetic and separation procedures, and more specific and efficient catalysts and catalytic processes that would minimize by-product formation and reduce waste at the source. Some of the general areas that have been targeted (the program is not restricted to them) are as follows: • New chemistries and methodologies for on-demand, on-site production and consumption of chemical synthesis intermediates. • More highly selective catalysts. • Low-energy separation techniques. • Syntheses that bypass toxic feedstocks and solvents. • Better membrane or molecular sieve technology that integrates transport and reactions. • New processing methods that eliminate hard-to-entrap, micron-sized aerosols. • Alternative syntheses that eliminate or combine process steps. Hancock notes that some progress has been made in these areas in industry—for example, the replacement of solvents with water in some areas of pharmaceutical manufacture and the replacement of caustic cleaners with vibratory methods in electronics manufacture. Projects of interest for the new program must show appropriateness to current national concerns for pollution reduction and prevention. Vague arguments that the proposed research may eventually reduce pollution are not compelling. Even so, the research must be fundamental in nature—that is, NSF is seeking innovative and high-risk/ high-payoff ideas. The foundation does not invite studies of the problem but is seeking more specific approaches to solutions. The idea is to prevent pollution, not to improve waste treatment. The program will encourage interdisciplinary interactions of all kinds. Industrial participation is a requirement. The partnership should be of an intellectual 34

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nature to ensure relevance to an industrial setting. Financial participation and other services are clearly welcomed but not required. CCR has agreed to act as the broker in the program. It will assist university researchers in developing necessary liaisons with industry. Member companies in CCR will also generate idea lists and possible generic projects that are ripe for collaboration. Hancock says that the range of these lists is impressive. At the beginning of the program earlier this year, most of the original proposals were in areas of chemical engineering. About $1 million in awards have been made to date. Although, clearly, chem-

ical synthesis is at the center of the program, the challenges are of greater scope. Appropriate chemistry is also applicable to improved detection, monitoring, and separation of pollutants and to the utilization of by-products. NSF and the Environmental Protection Agency will cooperate closely, Hancock says. But EPA's mission is strictly regulatory, and its research program reflects this. Funding specifically for the new program has been requested from Congress in the President's budget to move the program beyond the few projects that have been supported so far. Joseph Haggin

Test of enhanced electronic journals begins In a development that points the way toward the future of information delivery to the scientist's desktop, Cornell University chemists are gaining access to an electronic version of 20 American Chemical Society journals. Beginning this month, the chemists will be able to see all of the text, figures, photos, tables, and equations from one year's issues of the journals, using computer terminals in their own offices and labs. The scientists are helping to evaluate the overall usefulness of the prototype system, and will also test different interface options for presenting the journal data.

The system—called the Chemistry Online Retrieval Experiment (CORE)—is a collaborative project among ACS and its Chemical Abstracts Service Division; Bell Communications Research (Bellcore, the research arm of the regional telephone operating companies), Morristown, N.J.; Online Computer Library Center (OCLC, a database resource service for libraries), Dublin, Ohio; and Cornell University's Mann Library. CORE will provide two modes of information presentation. The first consists of "reconstructed" pages that combine machine-readable text with separate scanned graphics images. This

Reconstructed page format on CORE system provides separate windows for document text, figure captions, graphic images, and other elements of journal articles

SOFTWARE/DATABASE UPDATE approach doesn't preserve the look and feel of the original journal page, but it does provide comprehensive search and retrieval capabilities. All of the text and graphics data for the reconstructed pages will reside on a 14-gigabyte magnetic storage system. The second mode involves optically scanned (bitmapped) images of each page. These images look like original journal pages and can be displayed on a terminal or printed out. Search and retrieval capabilities also are available for this format. The bitmapped data require more disk space than the reconstructedimage data, and will be stored on a 50disc "jukebox" of optical discs capable of holding 150 gigabytes of information. The CORE system differs from computerized databases of scientific journals such as ACS Journals Online in that it provides access to all text, tables, equations, and graphics from the journals, instead of full text only. In addition, on-line systems are typically accessed by remote modem hookup, whereas the CORE system is accessed directly over local- or wide-area computer networks. The ability to display journal text and graphics on a computer screen has advantages and disadvantages, compared to using print versions of journals. On the one hand, CORE users can navigate through the database in ways not possible with print versions of journals. For example, they will be able to switch to articles on related topics, or referenced articles, using hypertext-type links— assuming the other articles are in the database. On the other hand, some users will find it difficult to search for information on a computer-based system, compared to the more familiar way of browsing through printed material. The current phase of the CORE project will use a database consisting of one year's issues of the 20 ACS journals, and additional issues of Inorganic Chemistry extending back to 1975. However, by the end of this year, the system will be extended to provide access to more than 10 years' issues of all 20 journals, as well as data from important reference texts in the field. Next year, the CORE system will also be made available to several chemical companies. If experiments at Cornell and in industry prove successful, the system could eventually be marketed commercially by ACS. Stu Borman

• MSDS Database (Canadian Centre for Occupational Health & Safety, $300 per year, circle 301) is a CDROM that contains complete texts of 80,000 Material Safety Data Sheets from almost 500 chemical suppliers in the U.S. and Canada. It is searchable by product, supplier name, date, and other terms.

• Brandon Worldwide Monomer Reference Database (Brandon Associates, $370, circle 307) includes physical and chemical data on 3600 commercially available and experimental monomers, including acrylics, condensation monomers, silanes, and isocyanates. It runs on IBM PCs and Apple Macintoshes.

• Chemical Kinetics Database, version 4.0 (National Institute of Standards & Technology, $390, circle 302), a tool for modeling combustion systems or chemical processes occurring in the atmosphere, now includes 6900 chemical reactions. A new feature makes it possible to search for all reactions resulting in formation of a particular product. The program runs on IBM PCs.

• HyperChem (Autodesk, $3500, circle 308), a molecular design and analysis program previously available only on Windows-based IBM PCs, is now available in a version for Silicon Graphics workstations that offers enhanced graphics and viewing capabilities. HyperChem allows scientists to build, analyze, and manipulate 3-D molecular structures on desktop computers with an array of visualization tools and computational methods.

• BioPro Designer (Intelligen, $8000, circle 303) is an interactive simulation and design program that eases development of biochemical processes. Its development was initiated at the Biotechnology Process Engineering Center of MIT and completed by Intelligen. It runs on Apple Macintosh computers. • EarthLaw (Infodata Systems, pricing available on request, circle 304) is a collection of environmental, health, and safety regulatory databases, plus search software. It provides information on legislation and rules at the federal, state, and local levels. Developed by Infodata and Mobil Oil Corp., it is available as a dial-in service or for installation on IBM or compatible mainframes. • Peakfit 3 (Jandel Scientific, $595, circle 305) characterizes and analyzes overlapping peak data in chromatography and spectroscopy using nonlinear curve-fitting. Version 3 offers new fitting functions, enhanced chromatography analysis, larger data-set handling, and other features. It runs on IBM PCs. • ChemDraft 2D (C_Graph Software, $95, circle 306), a chemistry drawing program for IBM PCs, includes molecule building tools, scalable and rotatable text, Greek fonts, and chemical symbols.

• Snap-Master for Windows (HEM Data Corp., $995, circle 309) is a data acquisition and analysis program for IBM PCs that runs under Windows. The program enables a computer with an analog-digital converter card to operate as a data acquisition and control system, digital storage oscilloscope, strip-chart recorder, or waveform analyzer. • Oncologic (LogiChem; license, lease, or service pricing available on request; circle 310) evaluates chemicals for their potential to cause cancer by applying rules of structure activity relationship analysis and using known data about mechanisms of action and information from human epidemiological studies. The program helps users make go/nogo decisions on new chemicals very early in the development process. It runs on IBM PCs. • Axum 2.0 (TriMetrix, $495, circle 311) is a technical graphics and data analysis program that creates publication-quality 2-D and 3-D graphs. The new version allows users to automate repetitive graphing and data analysis tasks with extensive batch processing capabilities. It runs on IBM PCs. • For information on these items, see Reader Service Card SEPTEMBER 14,1992 C&EN 35