University of Wisconsin-Madison Department of Chemistry Newsletter

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Messages From The Computer Center

New Software in the computer center (Room 9311):

Hewlett Packard included a text-recognition program named Omnipage Pro limited edition with the HP 4C scanner. This hasn't been working well on the scanner computer. The software has been upgraded to the full Omnipage Pro software, which does work. There is no printed manual for the software but its use is fairly straightforward. A printed manual will be provided later.

New Sparq Drive:

The computer center has purchased a Sparq drive and installed it on the scanner computer. A Sparq drive uses removable 1 gigabyte cartridges. These cartridges are not the same as Jaz cartridges, and are not interchangeable with them. The idea behind the purchase is that this drive could be used for archival storage. Several vendors list 10-packs of Sparq cartridges for around $240, making the single-cartridge price around $24. None of these vendors, however, appear to have 10-packs in stock. The computer center has one 10-pack on order. Please let Brad Spencer know if your group would be interested in purchasing a Sparq cartridge for $24, and how many. If the demand seems high enough the computer center will order more cartridges now.

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ATTENTION GRADUATE STUDENTS

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IMPORTANT DATES:

MINOR AGREEMENT FORMS: The Graduate School requires that the minor program be outlined in an agreement which is approved by the Department no later than halfway through completion of the sequence minor courses. The minor requirement must be completed by the end of the third year of graduate school. Minor agreement forms are available in Room 1315.

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SEMINARS

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Tuesday, August 4^th, 1998 - Materials Sciences Seminar. 11:00 a.m., Room 221 MS&E Building. Professor Bill Bergman, Royal Institute of Technology, Stockholm. "Fabrication and Characterization of LiCoO₂ Cathode for Molten Carbonate Fuel Cell (MCFC)"

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Friday, August 14^th 1998 - Special Physical Chemistry Seminar. 2:00 p.m., Room 8336 Chemistry Building. Dr. Elaine Dimasi, Department of Physics, Brookhaven Laboratories. "Synchrotron X-Ray Scattering Studies of Liquid Metal and Alloy Surfaces"

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Automated Knowledge Discovery in Molecular Biology and Chemistry

Selected Talks at the International Conference on Inductive Logic Programming (ILP '98). Inductive Logic Programming (ILP) is an area of machine learning and data mining that has been applied to problems within molecular biology and organic chemistry. Researchers at the University of Wisconsin who wish to learn more about these applications are invited to attend the following talks at the upcoming ILP'98 conf free of charge.

Application of ILP to Problems in Chemistry and Biology. (Invited Talk)

Ashwin Srinivasan, Friday, July 24, 10:10 - 11 a.m., Mills Concert Hall, Humanities Building.

Machine Learning algorithms are being increasingly used for knowledge discovery tasks. Approaches can be broadly divided by distinguishing discovery of procedural from that of declarative knowledge, with client requirements determining which of these is appropriate. Programs developed under the umbrella of ILP are concerned with the inductive discovery of declarative knowledge, and have been applied with some success in areas of biochemistry and molecular biology. While the experimental studies reported are preliminary, they have at least one commendable feature, namely, they constitute examples of programs participating in true scientific discovery tasks. By "true" here, I mean problems where existing scientific knowledge is incomplete, the descriptions found automatically were unknown to experts in the field, and have been acknowledged by publication in peer-reviewed journals in the field. Which were the really successful applications? Was ILP really necessary? How do results from ILP compare against experts and other prediction techniques? What do experts really think about ILP? Are ILP programs ready for routine use in the pharmaceutical industry? This talk will attempt to answer these questions, and will also describe how listeners can judge some of these matters for themselves in the important area of carcinogenesis prediction by participating in the Predictive Toxicology Evaluation Challenge. This presents a formidable challenge to knowledge discovery programs, with features that include: strong competition from methods used by chemists; participation in objective blind-trials; and an independent evaluation of results by an expert chemist.

Application of Inductive Logic Programming to Discover Rules Governing the Three-Dimensional Topology of Protein Structure.

M. Turcotte, S.H. Muggleton, and M.J.E. Sternberg, Thursday, July 23, 1:30-2:55 p.m., Grainger Hall, Room 1175.

Inductive Logic Programming (ILP) has been applied to discover rules governing the three-dimensional topology of protein structure. The data-set unifies two sources of information: SCOP and PROMOTIF. Cross-validation results for experiments using two background knowledge sets, global (attribute-valued) and constitutional (relational), are presented. The application makes use of a new feature of Progol4.4 for numeric parameter estimation. At this early stage of development, the rules produced can only be applied to proteins for which the secondary structure is known. However, since the rules are insightful, they should prove to be helpful in assisting the development of taxonomic schemes. The application of ILP to fold recognition represents a novel and promising approach to this problem.

Stochastic Propositionalization of Non-Determinate Background Knowledge.

S. Kramer, B. Pfahringer, and C. Helma, Thursday, July 23, 3:05 - 3:10 p.m., Grainger Hall, Room 1175.

Both propositional and relational learning algorithms require a good representation to perform well in practice. Usually such a representation is either engineered manually by domain experts or derived automatically by means of so-called constructive induction. Inductive Logic Programming (ILP) algorithms put a somewhat less burden on the data engineering effort as they allow for a structured, relational representation of background knowledge. In chemical and engineering domains, a common representational device for graph-like structures are so-called non-determinate relations. Manually engineered features in such domains typically test for or count occurrences of specific substructures having specific properties. However, representations containing non-determinate relations pose a serious efficiency problem for most standard ILP algorithms. Therefore, we have devised a stochastic algorithm to automatically derive features from non-determinate background knowledge. The algorithm conducts a top-down search for first-order clauses, where each clause represents a binary feature. These features are used instead of the non-determinate relations in a subsequent induction step. In contrast to comparable algorithms search is not class-blind and there are no arbitrary size restrictions imposed on candidate clauses. An empirical investigation in three chemical domains supports the validity and usefulness of the proposed algorithm.

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FACULTY POSITIONS/TEMPORARY FACULTY/ACADEMIC POSITIONS

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University of Wisconsin-Madison, Chemistry Department. Technical Assistantship: X-Ray Crystallography. The Department is seeking applicants for a technical assistantship in X-ray crystallography to begin in August (fall session). The X-ray laboratory assistant works with the X-ray Laboratory Director to assist with training others in the Department to use the crysatallographic equipment and software, to evaluate single-crystal samples, to determine structures, to collect and analyze data, and other related duties. Please contact X-ray Lab Director Dr. Doug Powell, powell@chem.wisc.edu or 262-4694, immediately if you are interested.

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Lamar University, Beaumont, Texas, Temporary Lecturer Position Available, 9-month contract 8/24/98 through 12/15/98 and 1/13/99 through 5/13/99 (actual dates of semesters). (May need to be present for one day for new employee orientation on August 20). M.S. in recognized area of chemistry (or related field including 18 graduate hours in Chemistry) or Ph.D. in Chemistry or closely related field. Ability to teach Organic Chemistry Lab course an advantage. Ability to communicate effectively with students essential. Duties (tentative). If M.S.: teach Organic Lab (if qualified) and three freshman labs. If Ph.D. teach one freshman lecture; one Organic Lab (if qualified) and two freshman labs. The Chemistry Department anticipates re-advertising an entry-level tenure track Assistant Professor position, almost certainly with Organic Chemistry as the preferred area of chemistry, during the fall semester for a start date of August 1999. The person in the temporary position will be welcome to apply, if qualified, although a national search will be conducted. Information on the department is available at http://hal.lamar.edu/~chemistry and general information on the University is available from the home page at http://www.lamar.edu reliminary application may be made to: Dr. John Whittle, Interim Chair, Department of Chemistry, Lamar University, Beaumont, Texas 77710-0022. Email; whittleja@hal.lamar.edu. FAX: (409) 880-8270. Applications will be accepted by email, fax, mail or express services although unofficial copies of transcripts must be provided or follow (fax OK) as soon as possible. Applicants should send initially a resume including details of all colleges and universities attended, brief description of any thesis topic or other research projects and all significant previous employment. The names, telephone numbers and email addresses of three references should also be included. The position is open until filled, but review of applications will begin immediately. The successful applicant will be required to complete an official Lamar University Application for Employment, and provided official copies of transcripts prior to being formally employed. Applicants must be legally entitled to work in the United States at the time of application.

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University of Wisconsin-Madison, Chemistry Department. Technical Assistantship: NMR Spectroscopy. The Department is seeking applicants for a technical assistantship for NMR spectroscopy to begin in September (fall session). Applicants must have already taken fall or spring semester Chem. 626, and will primarily assist in teaching labs for this course. Other duties are involved with these positions. These positions should be valuable to the individual and his or her research group because of the additional expertise the student will gain in NMR spectroscopic techniques. Please contact: NMR Director Dr. Charlie Fry, (fry@chem.wisc.edu or 262-3182) immediately if you are interested.

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The University of California, San Diego, Department of Chemistry and Biochemistry invites applications for a tenure track faculty position in Inorganic Chemistry at the Assistant Professor level. Candidates must have a Ph. D. and a demonstrated ability for creative research and teaching at the undergraduate and graduate levels. The candidate's research may encompass any core area of inorganic chemistry, such as organometallic, polymer, bioinorganic, main group, materials, or solid state. Candidates should send a curriculum vitae, list of publications, reprints of up to five representative papers, a summary of research plans, and arrange to have three reference letters sent to: Chair, Inorganic Search Committee, University of California, San Diego, Department of Chemistry and Biochemistry, La Jolla, CA 92093-0332. Prompt response is recommended. All applications received by October 31, 1998, or until the position is filled, will be assured full consideration.

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The Department of Chemistry and Biochemistry at Arizona State University invites applications for a tenure-track faculty position at the assistant professor level. Ph.D. in Chemistry or a related field with experimental and/or theoretical interest in physical chemistry; postdoctoral experience; demonstrated potential for establishing a research program of national/international recognition; and demonstrated potential for excellence in teaching at the undergraduate and graduate levels. Send a description of research plan, statement of teaching philosophy, list of publications and curriculum vitae, and arrange to have three letters of reference sent to: Professor Tim Steimle, Physical Chemistry Search Committee Chair, Department of Chemistry and Biochemistry, PO Box 871604, ASU, Tempe, AZ 85287-1604. Review of applications will begin September 15, 1998 and occur every two weeks thereafter until the position is filled.

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Wittenberg University invites applications for a Visiting Assistant Professor position in Physical Chemistry beginning August, 1998. The fall semester teaching assignment will include the first of two junior-level courses in physical chemistry and a section of general chemistry. The spring semester assignment is the second physical chemistry course and a section of general chemistry. The opportunity for a collaborative research project with undergraduates is available. This position will become a tenure-track position in 1999-2000. Candidates should have a Ph.D. in Chemistry, preferably with a concentration in physical chemistry. Candidates who are finishing the Ph.D. are welcome to apply, but will be hired as Visiting Instructors if the Ph.D. is not granted by August 15, 1998. Send resume, transcripts, a statement of teaching philosophy, and three letters of recommendation to: Dr. David C. Finster, Chair, Chemistry Department, Wittenberg University, P.O. Box 720, Springfield, Ohio, 45501. Given the short time frame for this search, the use of fax (937-327-6340) and email is strongly encouraged. Send email to: dfinster@wittenberg.edu. Review of applications will begin immediately. Candidates are encouraged to contact Dr. Finster directly by phone or email with any questions about this position.

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The Department of Chemistry, Yale University, invites applications for a position at the Assistant Professor level to commence Fall 1999. We seek creative teacher-scholars who show promise for developing outstanding research programs in the broad fields of inorganic, theoretical, and biophysical chemistry. Applicants should send curriculum vitae and a statement of research plans and arrange for the submission of three letters of recommendation. All materials should be received by 15 October 1998. Send applications to: Professor Donald M. Crothers, Chair, Junior Faculty Search Committee, P.O. Box 208107, Yale University, New Haven, CT 06520-8107.

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Penn State University, Chemistry Department has several tenure track faculty positions available starting Fall 1999. We encourage research proposals that interface with other disciplines such as biological, materials, and environmental sciences, as well as interests in the more traditional areas of chemistry. The appointees are expected to establish an exceptionally strong and highly visible research program that incorporates excellence in undergraduate and graduate education. A complete resume, a synopsis of research plans, and three letters of recommendation are required. Review of applications will begin October 1, 1998 and continue until the positions are filled. Send information to: Chairman of the Search Committee, Chemistry Department, Box O, The Pennsylvania State University, 152 Davey Laboratory, University Park, PA 16802.

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University of Wisconsin-Madison, Bock Laboratories. Lab Assistant/Technition Needed, Full-time Permanent Position, August 15, 1998, Genetics/Molecular Biology. Principal Responsibilities: Assist with studies of genetic analysis of development in a variety of systems. Collect, verify, record and compile information in support of research. Maintain or oversee maintenance of lab equipment and study materials. Prepare reagents and chemicals. Order laboratory supplies, as needed. Minimum Qualifications: 2 year associate technical degree in laboratory science. Preferred Qualifications: B.A./B.S. in Biology. Laboratory experience in molecular biology. To Apply: Please send a curriculum vitae which include the names and phone numbers of three references to: Sean Carroll, Howard Hughes Medical Institute, Bock Laboratories, University of Wisconsin-Madison, 1525 Linden Dr. Madison, WI 53706.

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The Department of Chemistry at the University of Alberta is seeking an outstanding individual with a proven record of research and teaching excellence for a faculty position in Physical Chemistry to begin July 1, 1999. The rank for this position is open and exceptional candidates at any Professorial level will be considered. The research focus should be in either Theoretical Physical Chemistry (in the areas of statistical mechanics, reaction dynamics, condensed matter systems or transport phenomena) or Experimental Physical Chemistry (in the areas that complement the expertise of the current faculty). The research of 29 faculty and 150 graduate students is supported by excellent services, including a new Computational Research Facility, mass spectrometry and high-field NMR laboratories, and departmental electronic, machine, and glassblowing shops. The applicants should submit a complete curriculum vitae, the names of three references and a research proposal by September 30, 1998 to: Professor Gary Horlick, Chair, Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada, T6G 2G2.

The Department of Chemistry at the University of Alberta is seeking an outstanding individual with a proven record of research and teaching excellence for a faculty position in Analytical Chemistry to begin July 1, 1999. The rank for this position is open and exceptional candidates at any Professorial level will be considered. We are seeking candidates whose research interests will complement those of the present faculty; however, outstanding candidates In any area of analytical chemistry are encouraged to apply. The research of 29 faculty and 150 graduate students is supported by excellent services, including a new Computational Research Facility, mass spectrometry and high-field NMR laboratories, and departmental electronic, machine, and glassblowing shops. The applicants should submit a complete curriculum vitae, the names of three references and a research proposal by September 30, 1998 to: Professor Gary Horlick, Chair, Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada, T6G 2G2.

In accordance with Canadian immigration requirements, this advertisement is directed to Canadian citizens and permanent residents of Canada. If suitable Canadian applicants cannot be found, applications from other individuals will be considered. The University of Alberta is committed to the principle of equity in employment. As an employer we welcome diversity in the workplace and encourage applications from all qualified women and men, including Aboriginal peoples, persons with disabilities, and members of visible minorities.

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Stanford University Department of Chemistry. Several positions are available for tenure-track faculty appointments, open rank, in the general areas of Organic Chemistry or Inorganic Chemistry. Completed applications must be received by October 15, 1998. Appointment will commence on or after September 1, 1999. Applicants must be strongly motivated toward creative research and committed to teaching at the undergraduate and graduate levels. All applications must include the following materials: Current curriculum vitae & list of publications. A brief statement of research interests (three pages or less). Arrange to have three letters of reference sent on your behalf to the chair of the appropriate search committee.

Applications in the general area of Organic Chemistry should be addressed as follows: Chair, 1998-99 Organic Chemistry Search Committee, Department of Chemistry, Stanford University, Stanford, CA, 94305-5080.

Applications in the general area of Inorganic Chemistry should be addressed as follows: Chair, 1998-99 Inorganic Chemistry Search Committee, Department of Chemistry, Stanford University, Stanford, CA, 94305-5080.

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The University of Wisconsin--Marshfield/Wood County, a 2-year campus in the UW-Colleges, seeks an instructor to teach general chemistry full-time for the next academic year (September-May 1998-99). A Masters Degree is required. Send letter of application, resume and a copy of transcripts to: Tom Marty-Chem Dept. Chair, UW-Marshfield/Wood County, Box 150, Marshfield, WI 54449. E-mail: tmarty@uwc.edu Tele: 715-389-6502. Application deadline is 4 August 1998. E-mail responses are normally answered within 24 hours. Many times immediately. All calls will be answered during business hours. Please leave a message if you are unable to reach Tom Marty.

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POSTDOCTORAL POSITION AND/OR JOBS

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Keith Woo has an opening for a postdoctoral position in his group which he hopes to fill as soon as possible. The position requires a strong background in synthetic inorganic/organometallic chemistry and spectroscopic techniques. Research projects include catalysis (oxidation, cyclopropanation, dechlorination, etc.), supramolecular assemblies, and electrode coatings. Interested candidates should send a curriculum vitae to him and should arrange to have three reference letters sent to him on their behalf. He can be contacted at: kwoo@iastate.edu for further information.

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George Flynn of Columbia University has a post-doctoral position opening in his gas phase chemical physics research group, available beginning September 1, 1998. He is seeking a person with especially strong experimental skills to use, as well as to supervise graduate students in using, new state of the art visible and infrared diode lasers as well as a tunable narrow band (500 MHz) OPO, tunable from roughly 1.5-3.5 microns. Excimer and dye lasers plus the usual component of transient recorders and computers rounds out our experimental apparatus. Our work is focused on collision dynamics, particularly energy transfer involving molecules with chemically significant amounts of energy. Interested candidates should send a CV and publication list plus the names and phone numbers of two people who would be willing to recommend them. Send all info to: Columbia University, Chemistry Department, MC 3109, 3000 Broadway, New York, New York 10027. flynn@chem.columbia.edu.

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Associate Professor Brent L. Iverson of the University of Texas at Austin is in need of post-docs to work in his laboratory at the interface of chemistry and molecular biology. There are several projects available in the areas of antibody and enzyme engineering. In particular, we are using our FACS selection technology as well as another new high throughput mutagenesis technology to engineer/evolve more powerful diagnostic and therapeutic antibodies. We are using the same approaches combined with some novel FRET substrates designed to create enzymes with altered substrate specificities. The ideal candidate will have a solid background in synthetic chemistry and/or photophysics, but a strong interest in molecular biology and protein chemistry. These projects will involve some organic synthesis as well as the protein engineering/evolution techniques. There are currently five fully-funded post-doctoral positions available. Please have candidates contact: Brent L. Iverson, Ph.D., Associate Professor, Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin,TX 78712, Phone: (512)471-5053, FAX: (512)471-8696, E-mail: biverson@utxvms.cc.utexas.edu.

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Professor Philip M. Johnson of State University of New York at Stony Brook has a postdoctoral position in his group. The position is available immediately, but the starting date could be any time through the Fall. Our current work involves the use of various ionization techniques such as MPI, MATI, and PIRI to study the chemistry, spectroscopy, and photophysics of molecules and clusters. The latter two techniques exploit the unique properties of high Rydberg states to provide high resolution spectra of cationic states with mass resolution. In addition we are currently working on the use of electron beams to facilitate Rydberg formation. Preferably the person would be comfortable with pulsed lasers, and with the electronics and vacuum techniques common to much of modern physical chemistry. Please send a vita including the names of references to: Philip M. Johnson, Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794-3400, telephone: (516) 632-7912 , FAX: (516) 632-7960.

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Professor David E. Richardson of the University of Florida has an immediate opening for a postdoctoral associate is available in the area of gas-phase ion chemistry, with a principal focus on the kinetic, thermodynamic, spectroscopic, and photochemical properties of transition metal complexes and their solvates in the gas phase. A suitable candidate will probably have significant experience in mass spectrometry, laser spectroscopy, or photochemistry. Experience with gas-phase chemistry is not required, but a strong physical chemistry or physical inorganic chemistry preparation is essential. Excellent writing and communication skills are desired. Apply with a CV to: Prof. David E. Richardson, Department of Chemistry, University of Florida, PO Box 117200, Gainesville, FL 32611-7200. Email: der@chem.ufl.edu.

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Dr. Craig A Taatjes of the Sandia National Laboratories, Operated for the U.S. Department of Energy by Sandia Corporation. The Combustion Research Facility, Sandia National Laboratories, Livermore, CA is supported by the U. S. Department of Energy, and is dedicated to the acquisition and exchange of fundamental knowledge that will improve the nation's ability to control the combustion process. We are seeking qualified applicants for the Sandia Postdoctoral Program at the Combustion Research Facility. Our facilities are excellent and our postdoctoral salaries are competitive. United States citizenship is normally required. His laboratory is one component of an aggressive basic and applied research effort at the Sandia Combustion Research Facility. His research is directed in several areas, with the goal of understanding issues in gas-phase chemical kinetics important in combustion. We concentrate on investigation of radical + stable molecule reactions, and on spectroscopic characterization of product or intermediate species. Development and implementation of new experimental techniques for optical probing of reaction kinetics is also pursued. The aim of his research is to utilize kinetics studies in order to understand the mechanism of critical combustion reactions in as great a detail as possible. Additional information about recent work in my laboratory is available at: http://www.ca.sandia.gov/LaserChemistry. The laboratories at the Combustion Research Facility are extremely well equipped and previous postdoctoral appointees have experienced very productive tenures. Please contact: Dr. Craig A. Taatjes, Principal Member of the Technical Staff, Combustion Chemistry Department, P. O. Box 969, MS-9055, Livemmore, CA 94551-0969, Phone: (925) 294-2764, Fax: (925) 294-2276, Email: cataatj@ca.sandia.gov.

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DETAILS ARE AVAILABLE IN ROOM 1380.

NEXT NEWSLETTER IS ON AUGUST 17th, 1998.