Abstracts The Annual Scientific Meetings and Seminars of the Society of Cosmetic Chemists are important venues for informing the participants about the state of the art and recent technical advances in the field of Cosmetic Science. To provide broader dissemination of that information, the Publication Committee has decided to publish in the Journal abstracts of the technical presentations made at these Meetings and Seminars.--The Editor. Society of Cosmetic Chemists Annual Scientific Meeting New York, NY, December 10-11, 1981. Application and advantages of an automated data collection system in an antiperspirant testing laboratory Val F. Cotty, Ph.D. and Diana Hess, Bristol-Myers Products, 1350 Liberty Ave., Hillside, NJ 07207. The roles of various electronic devices in a small laboratory are discussed. Previous manual entry of data generated a lot of paperwork and required a great deal of time to communicate information. This system caused increases in costs and a back- log of work. A program was undertaken to imple- ment a more efficient system. A new system was designed to provide instantaneous access to panel participant information and data collection and retrieval. The sequence of system development described demonstrates one way in which a successful automated system can be implemented. Basic aluminum chloride complexes. I. Physi- cal-chemical characterization of their aque- ous solutions John L. Fitzgerald, Ph.D., South Dakota School of Mines and Technology, Rapid City, SD 57701. Detailed studies of concentrated basic aluminum chloride systems of high OH/AI ratio from n = 2.5-2.0 have been carried out using gel filtration chromatography, ferron kinetic studies, and 27A1 NMR spectroscopy. All basic aluminum polymer solutions examined were observed to be polydis- perse with varying concentrations of discrete poly- meric, oligomeric and monomeric species. Gel filtration studies reveal species molecular weight ranges from that of the monomeric A13+ ion to 6800 daltons. Analysis of experimental chromato- grams and simulated gel filtration data have allowed the calculation of MWw, MWn values and polydispersity indexes for three basic aluminum systems of n = 2.5, 2.25 and 2.0. Molecular weight values decrease with basicity, as expected. Compar- ison of gel filtration results with ferron data, 27A1 NMR measurements and other polymer characteri- zation results is presented. Concentrated basic aluminum chloride systems are chemically distinct in comparison with the Al•cmer complex x-rayed by Johansson. The complexes appear to be in a state of pseudo-equilibrium at high concentration and undergo complex chemical changes upon 39

40 JOURNAL OF THE SOCIETY OF COSMETIC CHEMISTS dilution. The basis for the chemical differences between these systems and the Al•3-mer complex is possibly due to high concentration aggregation phenomena and the presence of C1- ion. Conversion of aluminum chlorohydrate to aluminum hydroxide Stanley L. Hem, Ph.D. and Joe L. White, Ph.D., Purdue University College of Pharmacy, West Lafayette, IN 47907. The structure of aluminum chlorohydrate, the highly soluble antiperspirant, and aluminum hy- droxide, the insoluble antacid, are discussed in relation to the mechanism of conversion of .aluminum chlorohydrate to aluminum hydroxide. X-ray, IR and 27A1 NMR data indicate that the basic structure of aluminum chlorohydrate is a nearly spherical complex of aluminum, Al•304(OH)24(H20)•27+, composed of a central aluminum in tetrahedral configuration surrounded by 12 aluminums each in octahedral configuration. This highly charged complex is neutralized by 7 chloride counterions. In contrast, aluminum hydroxide has a polymer-like structure whose basic unit is a ring of six aluminums in octahedral configuration. Bayerite, an aluminum hydroxide polymorph, readily forms when the hydroxyl to aluminum ratio of aluminum chlorohydrate is raised to 3 by titration with sodium hydroxide. Dilution of aluminum chlorohydrate solutions with water leads to the formation of gibbsite, another aluminum hydroxide polymorph. The mechanism of conversion is related to the structure of the A11304(OH)24(H20)•27+ complex. COMPUTER TOPICS Using RS/1 in chemical research and devel- opment Mark Adler, Ph.D. and Thomas Kush, Ph.D., Bolt Beranek and Newman, 10 Moulton St., Cambridge, MA 02238. This paper describes the design of RS/1 © , (the Research System) and its use in chemical research. RS/1 is an interactive computer software system developed by the Research Systems Group at Bolt Beranek and Newman Inc. Chemists and techni- cians who have never before used computers can learn RS/1 with a few hours of training. It uses familiar and intuitive concepts for data handling and data analysis, such as the "automated note- book" format of data storage, the direct use of graphs in curve-fitting, and a simple command language. Its versatility has made RS/1 useful in chemical research contexts, especially for studies involving cosmetic and other consumer products. Enhancing the capability of laboratory devices through use of a microcomputer Steven Casalino and Catherine Williams, Hewlett- Packard Co., P.O. Box 99, 120 Century Rd., Para- mus, NJ 07562. The advent of the microcomputer brought auto- mation to the laboratory as early as 1972. Instru- ment control and data reduction is now common, and most equipment vendors have some computing and control capabilities. The purpose of this discussion is twofold: to familiarize the audience with "turnkey" laboratory instrumenta- tion and its application and to demonstrate a small, easy to use, desktop microcomputer, cover- ing both its stand-alone capabilities and its role when interfaced to other intelligent devices. Online databases for the cosmetic chemist Randolph E. Hock, Ph.D., DIALOG Information Services, Inc., 3460 Hillview Ave., Palo Alto, CA 94304. Over the past decade, a vast quantity of informa- tion has become immediately, easily, and inexpen- sively available to the chemist by the use of online systems and databases. This presentation reviews the present state of such access. It looks at the databases which are available, with special empha- sis on such databases as CASearch, the various pharmaceutical, biological, and medical databases, etc. Also examined are the major timesharing services through which access to such databases is made possible. A sample search is shown in order to acquaint the audience with the types of protocol whereby the chemist or information specialist interrogates such systems. Types of terminals and communications networks used, as well as typical costs, are reviewed briefly. Computer-interfaced chromatography in the analysis of cosmetic materials Glenn H. Lewis, Mary J. Sand and Kenneth G. Migliorese, Ph.D., Helene Curtis Industries, Inc., 4401 W. North Ave., Chicago, IL 60639. Microprocessor-based gas and liquid chromato- graphs interfaced with data systems are being used in increasing numbers of analytical laboratories. We discuss the application of such systems to the solution of analytical problems involving common cosmetic materials. Specific examples discussed include the analysis of monomer compositions for packaging materials and the analysis of preserva- tives as raw materials as well as in finished sham-