News of the Week ovation effort is an arrangement, announced earlier this month, that links STN Express, a user-friendly program for searching databases on the STN International network, with Alchemy II (Tripos Associates, St. Louis, Mo.), a molecular modeling program that facilitates drawing and manipulation of 3-D structures. The link effectively combines on-line structure and literature searching with molecular modeling, using 3-D data retrieved from the Registry File. To make such modeling possible, CAS is adding 3-D coordinates for millions of organic chemical substances to the file using Concord, a program developed by Robert S. Pearlman and colleagues at the College of Pharmacy of the University of Texas, Austin, and marketed by Tripos. Concord rapidly generates 3-D structures from two-dimensional connection table (or chemical line notation) input. The ability to do molecular modeling with programs from other software vendors could be added in the future. "We definitely don't need to limit the coordinates to only the Alchemy format," says CAS product development specialist Lisa M. Staggenborg. CAS also is investigating a new method for handling stereospecific data in the Registry. Currently, encoding of stereochemical data involves use of text descriptors, a sys-
tem that precludes generation of 3-D coordinates for stereoisomers. Future plans are to modernize the Registry File by placing stereochemical descriptors directly in the connection tables, where most other structural information is encoded. Long range, CAS also is considering making it possible to do 3-D structure searching directly on the Registry File. "We're looking very closely at a lot of the work that's been done on 3-D structure searching," says Staggenborg, "but the size of the file is always a problem. The kinds of algorithms and techniques that work on smaller files usually fall flat on their face on our file. Preliminary analysis indicates that techniques developed up to now are inadequate for our needs." However, Registry renovation plans depend in part on the response of the chemistry community to the STN Express/Alchemy link. "Before we make other concrete changes," says Staggenborg, "we want to see how this goes and what it is the users tell us is important about it. Molecular modeling is still very cutting-edge. There are a lot of people in the pharmaceutical industry who are extremely expert at it and are using it on a day-to-day basis to solve real problems. But to the average chemist on the bench, this is still something fairly new." St u Borman
Rhône-Poulenc to buy two chemical operations Rhône-Poulenc last week moved to acquire two chemical operations that will increase its $11 billion sales almost 10%. The firm, France's largest chemical company, will buy RTZ Chemicals, the specialty chemical operations of the U.K.'s RTZ Corp., for about $800 million and GAF Corp.'s surfactants business for about $480 million. RTZ Chemicals, which represents Rhône-Poulenc's largest acquisition to date, expects 1989 sales to total about $800 million. About half are accounted for by Interchem, the holding company for its U.S. operations. RTZ Chemicals' main products include polymers, epoxy resins and acrylic monomers, water-soluble gums, latex, and fluorinated organics. 8
September 25, 1989 C&EN
The GAF surfactants business is located mainly in the U.S. and has projected 1989 sales of $190 million. This acquisition marks RhônePoulenc's entry into the U.S. surfactants business. Interchem's Alcolac division will add slightly to that, with some surfactants sold to the cosmetics industry. With the acquisitions, the U.S. will represent about 20% of RhônePoulenc's worldwide business. U.S. sales will increase from $1.5 billion to more than $2 billion, the company says. Rhône-Poulenc has increased its U.S. presence substantially over the past few years with acquisitions of Union Carbide's agrochemicals operations, Stauffer's basic chemicals
unit, and Monsanto's vanillin and analgesics operations. Rhône-Poulenc's U.S. operations ranked 35th among C&EN's Top 100 list of U.S. chemical producers in 1988 with sales of about $1.4 billion. This is up from 81st place as recently as 1983 when the then-fledgling U.S. businesses had sales of only $290 million. The RTZ acquisition also strengthens the French firm's position in the U.K., increasing sales there about 60%. The British market, accounting for 8% of total Rhône-Poulenc sales, will become its third largest country of operation, behind the U.S. and Brazil. William Storck
Union Carbide foam process uses no CFCs Union Carbide is introducing the first system for making all types of flexible polyurethane foam that requires no chlorofluorocarbon (CFC) blowing agent. If accepted by producers, the process could reduce emissions of ozone-destroying CFCs into the atmosphere. Flexible polyurethane foam manufacture accounts for about 5% of CFC emissions in the U.S.—that is, about 25 million lb annually. The foams are used primarily in mattresses and cushions for furniture and autos. Current technology uses CFCs, or a combination of CFCs and methylene chloride, to soften the foam, reduce its density, and cool it during production. Carbide says only that its new technology adds proprietary polymer modifiers, called "Geolite," to the usual mix of polyols, surfactants, catalysts, and diisocyanates. The resulting foams perform as well as conventionally made foams, says John Televantos, Carbide director of research and development for urethane intermediates. Carbide plans to license its technology to foam producers worldwide, beginning immediately. The n e w c h e m i s t r y will r e q u i r e no change in production equipment, Televantos says. It costs about the same as current CFC-based systems. Pamela Zurer
