ABSTRACTS 41 poos and conditioners. Although our discussion is limited to these particular examples, other analyses can easily be performed on these microprocessor based instruments. Computerization of analyses is particularly desirable for routine applications such as raw material inspection and batch monitoring. The techniques used are straightforward and result in increased analytical precision as well as consider- able saving of the analyst's time and effort. Interfacing laboratory computers Joseph G. Liscouski, Digital Equipment Corp., Marlboro, MA 01752. While the use of computers in the laboratory is not new, the current influx of new, low cost systems into that environment is introducing many chem- ists to the often complex area of interfacing instru- ments and experiments to the machines. The point of this presentation will be to acquaint those present with the various techniques available (ana- log, digital, serial ASCII and IEE-488 standard), their pitfalls and strengths and the points that must be considered before tackling such a product. Data bases in the chemical laboratory Michael J. Milano, Ph.D. and David P. Binkley, Perkin-Elmer Corp. Main Ave., Norwalk, CT 06856. A data base can be defined as an organized collection of information with some type of medium for preparation, storage, and distribution. Chemical information data bases for literature and chemical substance searching are reviewed and described in terms of data base structure, type and breadth of information covered, and access requirements. With the growth of laboratory computers, it has also become possible for special- ized users to develop local data bases for in-house scientific and lab management information. Exam- ples of local data bases for analytical samples, equipment, and product formulations are pre- sented. Computers--Past, present and future Jack A. Petersen, Bristol-Myers, P.O. Box 657, Syracuse, NY 13201. This presentation includes: a description of the origins of economics and technology in the computer field the development of dynamics in the computer industry as the field progressed from a past history data collection system to a real time data collection and control system the evaluation of the micro-computer in industrial control systems and interface considerations when design- ing such systems. Using and array processor to dramatically speed GC/FT-IR spectroscopy Johanna Rothman, Digilab, 237 Putnam Ave., Cambridge, MA 02139. Gas Chromatography/Fourier Transform Infrared spectroscopy (GC/FT-IR) is the most innovative and dynamic new technique in analytical chemistry. In the past ten years we have seen GC/FT-IR evolve from a novel curiosity to a powerful analyti- cal tool. This evolution has been made possible by advances in the sensitivity of FT-IR instruments and the capability of the computers we use. GC/ FT-IR has particularly high computation require- ments due to the necessity of performing a Fourier Transform to produce each spectrum and the desirability of performing a spectral search of each peak's spectrum. Digilab's Hi-Comp 32 © array processor provides a level of computing perfor- mance hitherto unavailable in FT-IR instruments. Using the Hi-Comp 32, Digilab's FTS-GS/S © soft- ware is able to produce GC spectra in real time and search spectral libraries fifty times faster than previously available. These advances in data processing and their impact on GC/FT-IR will be discussed and examples and timings for Digilab's new GC/FT-IR system are shown. The use of microcomputer-interfaced infrared spectrophotometer for the analysis of cos- metic materials Claude Wilson, Ph.D., Glenn H. Lewis, Mary J. Sand and Kenneth G. Migliorese, Ph.D., Helene Curtis Industries, 4401 W. North Ave., Chicago, IL 60639. The recent development of low cost microproces- sor-based instrumentation is revolutionizing opera- tions in laboratories throughout the world. Adapta- tion of this technology to analytical instrumenta- tion has greatly expanded the applicability of these instruments in difficult problem-solving situations. Our work describes the use of a floppy disobased microcomputer interfaced with a dispersive infrared spectrophotometer to facilitate the analy- sis of cosmetic raw materials and finished prod- ucts. This system allows the operator to utilize several desirable spectral enhancement techniques such as scale expansion, baseline smoothing and flattening, spectral addition and subtraction, signal averaging, spectra/structure correlation, and library searching. The availability of commercial spectral libraries as well as the creation of our own in-house library make this system tremendously useful for a wide variety of analytical problems. Although our discussion centers around the use of the system for cosmetic analyses, we are also using this instrumen- tation successfully to solve problems in the analysis

42 JOURNAL OF THE SOCIETY OF COSMETIC CHEMISTS of such materials as polymers and environmental pollutants. MAECIS: A chemical structure and informa- tion handling system Gary S. Zander and William E. Brugger, Ph.D., IFF, 1515 Highway 36, Union Beach, NJ 07735. In order to meet an existing need for a computer- ized chemical information and structure handling system in R & D, a program was developed which integrates both chemical information management and structure manipulation capabilities into one package. Chemical information management in- cludes entry, modification, and retrieval of chemi- cal structures and associated information. Retrieval capabilities include selection by names, in-house code numbers, CAS registry numbers, structure matching, substructure searching, or by selected physical properties such as molecular weight. Structure manipulation capabilities include molec- ular modeling, rotation, conformational analysis, and calculation of various molecular parameters such as octanol/water partition coefficients. The program is highly graphics-oriented and has enjoyed wide user acceptance. HAIR & SKIN Mechanism of hair waving Linda Albrecht and Leszek J. Wolfram, Ph.D., Clairol Research Laboratories, 2 Blach!• ? Rd., Stamford, CT 06902. Comparative waving efficacy of aqueous solutions of alkali surfites and thioglycolates was evaluated using novel laboratory techniques of "slack" and coil setting. Excellent correlation with on-head waving conditions have been obtained in the case of coil setting. The waving data suggest significant differences in the waving mechanism between sulfite and thioglycolic acid. With sulfite as the reagent, the optimum setting is attained at pH 7 in spite of the fact that cleavage level of sulfite- treated hair is at maximum in the pH region 3-6. The low settability of thio-reduced hair at low pH values is due not to the lack of bond rebuilding but rather to limited conformational changes (low swelling) under such conditions. Cutaneous absorption of cosmetic ingre- dients-Realities and potentialities Gordon L. Flynn, Ph.D., University of Michigan College of Pharmacy, Ann Arbor, MI 48109. Cosmetics are complex systems which contain ingredients of wide-ranging physio-chemical prop- erties. Important questions arise as to how much of the respective ingredients passes into the viable tissues and to what extent can such percutaneous absorption be estimated a priori. An answer to the latter question requires exact knowledge of how factors such as molecular size and polarity affect partitioning into surface cutaneous structures and diffusion through them. Through direct evidence or by analogy with structurally similar compounds, certain cosmetic ingredients such as antimicrobials and organic antioxidants seem chemically well- adapted for cutaneous passage and the skin reac- tions they cause come as no surprise. Manifesta- tions seen with compounds of extreme polar and non-polar natures are generally unanticipated. To clarify this situation, available quantitative data on percutaneous absorption are reviewed with special emphasis placed on the influence of chemical structure on ease of permeation. It is seen that over part of the polarity range of common constituents, the skin (stratum corneum) acts as a lipoidal struc- ture, largely regulating passage on the basis o/w partitioning. Highly polar compounds have also been shown to measurably penetrate the barrier, suggesting that there are significant alternative means of passage. These observations are placed into perspective with respect to cosmetic use and risks. Chlorination studies in human hair Bhupender S. Gupta, Ph.D. and Nancy Fair, North Carolina State University, P.O. Box 5006, Raleigh, NC 27650. The present study examines the effect of chlorina- tion on the physical properties and morphology of human hair. Normal and cosmetically treated hair were chlorinated for a predetermined number of cycles in which parameters such as pH, chlorine concentration and cleansing treatments were varied. The physical property emphasized in this research was the inter-hair friction under low normal forces. A method is described for effec- tively characterizing this property under loads as low as 1-5 grams, which are of the same order as the level of normal combining forces. The changes in morphology were studied with a high resolution scanning electron microscope. Friction values found in chlorinated hair were significantly higher than those in control hair. Chlorination under acidic conditions produced higher values and greater changes in morphology than thos• under neutral conditions. The directional frictional effect (DFE)--a property typical of hair-like fibers-- decreased with most treatments. Examination of morphology, especially along regions of contact, supported the views that the general effects of chlorination were to partially dissolve and destroy