#233 - Co-sponsored Sessions

ACS National Meeting
Spring, 2007
Chicago, IL

SUNDAY MORNING

COMP - Computer Assisted Drug Design: Reminiscing about the Future. A Symposium Honoring Yvonne C. Martin
Hyatt Regency McCormick 10 C/D
Alexander Tropsha, Organizer; Osman F.Guner & Alexander Tropsha, Presiding
8:15   Introductory Remarks
8:30 7 Using knowledge on chemical reactions for drug design
Johann Gasteiger, gasteiger@chemie.uni-erlangen.de, Computer-Chemie-Centrum, University of Erlangen-Nuremberg, Erlangen, 91052, Germany

Chemical reactions play a major role at many steps of the drug discovery process. A better understanding and modelling of chemical reactions could greatly increase the efficiency in developing a new drug. In target identification, an understanding of enzyme reactions is needed. In lead discovery and lead optimization, an estimate of synthetic accessibility is desired, syntheses have to be designed, and the synthesis of a library asks for knowledge on the scope and limitations of a reaction type. Furthermore, knowledge on the stability of the compounds of a library is necessary. The estimation of ADME-Tox properties has to model the metabolism of drugs and has to predict pKa values, both being chemical reactions. Furthermore, many toxic modes of action are the result of chemical reactions. Examples for modelling these various types of chemical reactions will be given.

9:00 8 Experimental and computational approaches to measuring compound reactivity
Philip Hajduk, philip.hajduk@abbott.com, Global Pharmaceutical Research and Development, Abbott Laboratories, 100 Abbott Park Road, Abbott Park, IL 60064-6098

The ability of a small organic compound to covalently modify a protein is a surprisingly common phenomena in drug discovery. While a covalent mechanism of action can be exploited for certain target classes, compound reactivity is generally avoided due to increased risks for organ toxicity. This presentation will discuss our work in developing experimental and computational approaches to rapidly and reliably assess the potential of a compound to covalently modify proteins in a non-specific manner. The computational approaches are especially useful for evaluating external compounds for purchase or proposed compounds that have not yet been synthesized – for which an experimental test cannot be performed. In addition, the group contribution model employed in this research has identified chemical groups that are frequently associated with chemical reactivity and can thus be used during hit-to-lead and lead optimization campaigns.

9:30 9 Drug Guru: A new kind of computational tool for medicinal chemists
Kent Stewart, Metabolic Disease Research Division, Abbott Laboratories, Dept. R47H, Bldg. AP-10-2, 100 Abbott Park Rd., Abbott Park, IL 60064

Drug Guru (Drug Generation Using Rules) is a computer program that applies medicinal chemistry "rules-of-thumb" to an input structure to design new analogs. After entering the structure of interest, the chemist is presented with a list of analogs along with historical precedent of conception. As examples, every benzene ring is converted to a thiophene ring and every amide is made into a retro-amide. These rules have been selected from the history of medicinal chemistry and converted into SMIRKS computer format which interconverts SMILES representations of the structures. Some rules, such as the carboxylate-to-tetrazole rule, correspond to well known isostere replacements. Other rules, such as ring modification, metabolism blocking, or solubility increasing rules are more complex. The output of the program is automatically ranked according to ClogP, PSA, Reactivity, and Solubility parameters. The Drug Guru software package and its use in drug discovery programs will be described in this presentation.

10:00   Intermission
10:20 10 Pushing the boundaries of 3D-QSAR
Richard D. Cramer, cramer@tripos.com, Tripos Inc, 1699 South Hanley Road, St. Louis, MO 63144

Considering the relatively accurate potency predictions that 3D-QSAR can afford, and the dramatically improved cost/benefit relationship that is promised by the use of topomer alignments in 3D-QSAR, it seems timely to renew exploration of these technologies' scope. Directions currently being investigated include trends in q2, r2, and especially predictivity; as a data set is systematically expanded, and the inclusion of classical descriptors such as logP and MR with the 3D-QSAR fields.

10:50 11 Outliers in SAR and QSAR: What are the possible sources?
Ki H. Kim, pkhkim@gmail.com, Hope Drug Discovery Research Laboratory, 260 Southgate Drive, Vernon Hills, IL 60061

Structure-activity relationship (SAR) or quantitative structure-activity relationship (QSAR) studies play an important role in a lead optimization in drug discovery research. Outliers are often observed in SAR or QSAR studies. However, the reasons for such outliers are often speculated, and the sources of these outliers are often unclear. Here, we discuss some possible sources of such outliers in SAR or QSAR and suggest that some of the outliers are expected in some cases.

11:20 12 Do multi-conformer queries enhance three-dimensional lead hopping?
Steven W. Muchmore, steven.muchmore@abbott.com, Abbott Laboratories, Depts. R42T and R46Y, Bldg. AP10, 100 Abbott Park Rd., Abbott Park, IL 60064 and Yvonne C. Martin, yvonne.c.martin@abbott.com, D-47E AP 10/2, Abbott Laboratories, 100 Abbott Park Road, Abbott Park, IL 60064-6100

Computational similarity searching is a well-established technique routinely used to identify new chemical series in drug discovery projects. A wide variety of approaches to similarity searching have been developed, including, but not limited to, the use of both two-dimensional and three-dimensional searching algorithms. One limitation to the use of three-dimensional algorithms is the lack of information about the biologically relevant conformation of a chemical series when bound to its biological target. Given that three-dimensional searching is typically more computationally intensive than two-dimensional algorithms, the query molecule in three-dimensional searching is usually limited to a single conformer in the search model. This study shows that using an ensemble of low-energy conformers as the search query, instead of the same search using a single query conformer, can significantly enhance the enrichment rate of three-dimensional searches.

11:50 13 Advances in conformational sampling
Dimitris K. Agrafiotis1, Fangqiang Zhu1, Sergei Izrailev1, Alan Gibbs1, and Eric Martin, eric_martin@chiron.com2. (1) Johnson & Johnson Pharmaceutical Research & Development, L.L.C, 665 Stockton Drive, Exton, PA 19341, (2) Novartis Institute for Biomedical Research, 4560 Horton St, Emeryville, CA 94530

The necessity to generate conformations that sample the entire conformational space accessible to a given molecule is ubiquitous in the field of computer-aided drug design. Protein-ligand docking, 3D database searching and 3D QSAR are three commonly used techniques that depend critically upon the quality and diversity of the generated conformers. Although there are a wide range of conformational search algorithms available, the extent to which they sample conformational space is often unclear. To address this question, we conducted a robust comparison of the search algorithms implemented in several widely used molecular modeling packages, including Catalyst, Macromodel, Omega, MOE, and Rubicon, as well as our own method, stochastic proximity embedding (SPE). We found that SPE used in conjunction with conformational boosting, a novel heuristic for biasing conformational search towards more extended or compact geometries, along with Catalyst, are significantly more effective in sampling the full range of conformational space compared to the other methods, which show distinct preferences for either more extended or more compact geometries. A new and improved variant of SPE is presented, where pre-computed conformations of rigid fragments are used as templates to enforce locally optimal geometry. The method alternates between pairwise distance refinements and template fitting to rapidly generate raw conformations of better quality than those produced by regular SPE. In most cases, these conformations are sufficiently good that can be used without energy minimization.

SUNDAY MORNING

CHED - Using Social Networking Tools to Teach Chemistry
McCormick Place North N230B, Level 2
Harry Pence, Andrea Gay, Organizers; Andrea Gay, Michael Holmans, Presiding
8:30   Introductory Remarks
8:35 18 Keeping up and staying current: Harnessing the chemical information web with RSS
Teri M. Vogel, tmvogel@ucsd.edu, Science & Engineering Library, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0175E

A ubiquitous but underutilized component of the Web 2.0 landscape, RSS allows you to track new web content without manually monitoring websites. Already a staple of blogs, wikis and social bookmarking sites, RSS feeds are now part of an increasing number of science databases, e-journals and news sites.

Users can take advantage of an array of desktop, web-based or browser-integrated “readers” or “aggregators” to subscribe to the RSS feeds of their favorite websites. The reader uses the feeds to monitor the sites for new content, which is then captured by the reader to create a one-stop information delivery and management system.

The value of using feeds and readers lies in information management and current awareness. For chemistry instructors and librarians, it is an opportunity to show students how to leverage new and emerging technologies to master the not-so-new challenge of keeping up with news and research in their discipline.

8:55 19 Find it, tag it, share it: Social bookmarking in chemistry education
Judith N. Currano, currano@pobox.upenn.edu, Chemistry Library, University of Pennsylvania, 3301 Spruce St. 5th Floor, Philadelphia, PA 19104 and Annette Day, dayannet@pobox.upenn.edu, Math/Physics/Astronomy Library, University of Pennsylvania, 209 South 33rd Street, Philadelphia, PA 19104-6317.

Social bookmarking is a convenient way to collect and organize Web content of interest. Using a social bookmarking service, a user creates a list of online bookmarks and applies descriptors called “tags” to organize and characterize the content. The bookmarks are online and can be accessed from any computer and viewed by any user of the service. This has great potential for use in distance education; instructors can easily create lists of useful links to articles and Web sites for their students, and students can make annotated online bibliographies that can be shared with peers and instructors. The University of Pennsylvania Library has created a social bookmarking tool, PennTags, for use in an academic environment. Similar to popular social bookmarking tools (de.licio.us, citeulike, connotea, etc.), it is specifically designed to work with the University's library and information resources. Users can easily link to and “tag” electronic databases, e-journal articles, and materials from the library catalog. The information tagged can be either used as bookmarks or easily incorporated into a Web site.

9:15 20 RSS and social tagging: on the desktop and in the classroom
Laura E. Pence, LPence@hartford.edu, Department of Chemistry, University of Hartford, 200 Bloomfield Ave, West Hartford, CT 06117 and Harry E. Pence, pencehe@oneonta.edu, Dept. of Chemistry and Biochemistry, State University of New York, Oneonta, NY 13820

The combination of RSS (Real Simple Syndication) and social tagging (using a social bookmarking web service, like del.icio.us, Connotea, or CiteULike) provides a powerful tool for personal information management and also for helping students to become more aware of recent developments in Chemistry. This paper will describe how to help students set up an RSS aggregator, establish some RSS feeds, and also to install a social bookmarking web service on their computers. It will then describe how successful this combination can be at encouraging students to improve their information management skills, share useful web sites with each other, and develop greater chemical awareness by reading about chemistry on the web.

9:35   Intermission
9:45 21 Blogging the culture of chemistry
Michelle M. Francl, mfrancl@brynmawr.edu, Department of Chemistry, Bryn Mawr College, 101 N Merion Ave, Bryn Mawr, PA 19010

Why should a chemist blog? Who reads a chemistry blog? The Culture of Chemistry blog explores the relationship between chemistry, chemists and everything else. The connections between science content blogs and science culture blogs will be explored using the Culture of Chemistry as a jumping off point. A case will be made for why chemists, academic and industrial, should write in both these spheres, and what students can learn from reading chemistry blogs.

10:05 22 Video podcasting in an undergraduate introductory chemistry course
John I Gelder, john.gelder@okstate.edu, Chemistry, Oklahoma State University, Stillwater, OK 74078 and Tom Greenbowe, tgreenbo@iastate.edu, Department of Chemistry, Iowa State University, Ames, IA 50011.

At Oklahoma State University I have been providing access to video lectures for the past six years. These video resources have been available in a variety of formats using different types of interactivity. I started with Real video using SMIL and then moved to QuickTime with Flash interactivity and also tried streaming QuickTime using Chapters. When video ipods were introduced in the Fall of 2005 I immediately began podcasting class lectures. Now all of my lectures are available as podcasts that can be pushed to students who have subscribed to the lecture videos. I have also been podcasting additional resources for my students including; review of examinations, reviews of problem sets, and informational topics regarding the class web site. I'll discuss student response to the podcasts, and describe the resources needed to podcast your materials.

10:25 23 Experimentation with podcasting in an organic chemistry setting as a secondary tool for students
John Picione, jpicione@uwm.edu and Kristen Murphy, kmurphy@uwm.edu. Department of Chemistry and Biochemistry, University of Wisconsin - Milwaukee, 3210 N Cramer Ave., Milwaukee, WI 53211

The use of podcasting, in particular vodcasts has been utilized in a classroom setting consisting of students in the first semester of organic chemistry of the two semester sequence. Vodcasts pertaining to problematic material were released. These vodcasts focused on problematic material which the students faced, in particular three dimensional problem solving and multi-step syntheses integrating many of the reactions. The ACS 2006 first term organic exam was utilized as a partial measure of their effectiveness, in addition to quizzes which were given before and after the release of the vodcasts.

10:45   Intermission
10:55 24 Second Life as a scientific education medium
Joanna Scott, j.scott@nature.com, Web Publishing, Nature Publishing Group, 4 Crinan Street, London, N1 9XW, United Kingdom

Second Life is a virtual world: a three-dimensional digital environment in which real people, through their avatars, can meet others, build and buy things, and educate or be educated. The population, which has recently passed one million, shows a remarkable degree of creativity and innovation.

Second Life is already widely used for education (for example in architecture, law and psychology). There is also a growing scientific presence, with a spaceflight museum, a planetarium and several climate-related areas. Nature, too, has been exploring uses of Second Life in scientific communication. Our Magical Molecular Model Maker (M4) builds chemical structures using data from PubChem. We are also working on representing cellular morphology using electron tomography data.

This presentation will look at the current state of educational and scientific activity in Second Life. We will describe Nature's experiences and speculate on the future of Second Life and other virtual world in scientific communication.

11:15 25 Teaching organic chemistry with blogs and wikis
Jean-Claude Bradley, bradlejc@drexel.edu, Department of Chemistry, Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104 and Beth Ritter-Guth, Lehigh Carbon Community College, Schnecksville, PA.

The proliferation and availability of high quality social software has enabled new modalities for the teaching of chemistry. The evolution in the use of blogs and wikis in the teaching of undergraduate organic chemistry classes will be described, both as convenient tools to deliver course material and as platforms for student assignments. Simple methods for creating audio podcasts and vodcasts of recorded lectures will be detailed. Other issues to be covered include intellectual property, student response, student anonymity and integration with course management systems.

11:35 26 Wikis, podcasts and screencasts (oh my!) in undergraduate chemistry coursework and research
Keith A. Walters, walterske@nku.edu, Department of Chemistry, Northern Kentucky University, Nunn Drive, Highland Heights, KY 41099

In today's academic environment it is increasingly difficult for students to actively participate in their coursework (including undergraduate research) to its fullest extent. The author has utilized several internet-based tools to assist both the instructor and student in these situations. Three implementations will be presented: 1) A research group wiki to help with communication and technology transfer, 2) Lecture podcasts to assist students in supplementing notes, and 3) Internet-based screencasts that allow the student to repeatedly view example problems for review. Student feedback and future directions for each of these tools will also be presented.

SUNDAY MORNING

HIST - Landmark Chemistry Books of the Twentieth Century III: Authors from the University of Illinois
Hyatt Regency McCormick 21A
Vera V. Mainz, Organizer
10:50 6 Books by R. C. Fuson
Paul R. Jones, prjones@umich.edu, Department of Chemistry, University of Michigan, 930 N. University, Ann Arbor, MI 48109-1055

During his multi-decade career at the University of Illinois, R. C. Fuson authored or coauthored an array of books, varying from elementary coverage of organic chemistry to advanced treatises for graduate students and professionals. His first publication in 1939, a set of lectures for the advanced student, ushered in a career of book writing, which has persisted long after his death, in the form of the remarkably enduring editions of “Systematic Identification of Organic Compounds.”

11:20 7 Organic Syntheses: Past and present
Jeremiah P. Freeman, jfreeman@nd.edu, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556

Organic Syntheses serves as a "recipe book" for the preparation of organic compounds whose "recipes" have been tested in an independent "kitchen". Beginning from four pamphlets on Organic Chemical Reagents published by Roger Adams between 1919-1922, Organic Syntheses was begun in 1921 by Adams and Carl Marvel at Illinois together with J. B. Conant at Harvard, H. T. Clarke at Eastman Kodak, and O. Kamm at Parke Davis. At a time when there were few sources of organic research chemicals available commercially, it consisted of an annual volume of sets of directions for the preparation of organic compounds that had been tested and refined by members of the editorial board in their labs with their coworkers. The venture has continued to this day with more emphasis on the description of new methods as the commercial availability of chemicals expanded greatly. Most recently web publication has been made available without cost.

11:40 8 Inorganic Syntheses: Classic series of chemistry books with strong connections to the University of Illinois
John P. Fackler Jr., Fackler@mail.chem.tamu.edu, Department of Chemistry, Texas A&M University, University Drive, College Station, TX 77843-3255

Although there were few inorganic chemists in the US in the 1930's, Harold S. Booth (Western Reserve) managed to convince L. F. Audrieth (Illinois), W. C, Fernelius (Ohio State), Warren. C. Johnson (Chicago) and Raymond E. Kirk (Brooklyn Poly) to support the creation of a corporation to publish a series of books detailing inorganic syntheses. The first volume appeared in 1939. Volumes 3, 4, and 5 were edited by the Illinois faculty, Audrieth, John C. Bailar and Therald Moeller. John R. Shapley (Illinois) recently edited the 34th volume. While there are other excellent books on inorganic syntheses, Inorganic Syntheses is currently producing its 36th volume. Each synthesis is checked for reproducibility by a person or team of chemists elsewhere. As a result, these syntheses have found their way into undergraduate and research chemistry laboratories worldwide.

12:00   Lunch Break
1:30 9 Chemistry of the Coordination Compounds: J. C. Bailar, Jr. monograph
Ronald D. Archer, archer@chem.umass.edu, Department of Chemistry, University of Massachusetts, Lederle Graduate Research Towers, Amherst, MA 01003-9336

The monograph Chemistry of the Coordination Compounds in 1956 by the late Prof. John C. Bailar, Jr., with chapters by a sizeable number of his former research students, was a significant book in a rapidly growing segment of chemical research. Conrad Fernelius noted, “Bailar's book is the most complete book on coordination compounds available in the English language and possesses distinct advantages over the German compilations. It is a very valuable contribution and will greatly facilitate further research in an important field of chemistry which cuts across the conventional areas of inorganic, organic, physical, analytical and biological chemistry.” The first chapter by Bailar and Daryle Busch elegantly surveys the comprehensive nature of coordination chemistry. This chapter is followed by a wide variety of topics for a total of 23 chapters with almost 800 pages of text. Even so, Bailar acknowledged in the preface that several important topics were not included!

MONDAY AFTERNOON

CHAL - Beyond the Bench: Non-Traditional Careers in Chemistry
McCormick Place South S504A, Level 5
Justin J. Hasford, Organizer & Presiding
1:30   Introductory Remarks
1:35 9 Technical communication - Nontraditional career for a chemist
Lisa M Balbes, lisa@balbes.com, Balbes Consultants, 648 Simmons Ave., Kirkwood, MO 63122

This presentation will trace the evolution of a freelance technical writer's career, from the almost accidental beginnings to today's successful business. Although I started out as a consultant, I quickly moved to technical writing, and have been there for almost 15 years. Along the way, I have written everything from software documentation to grants and proposals to scientific articles for peer-reviewed journals to web sites, and much more. Recently, I teamed up with a local English expert, and we have begun teaching technical writing skills for local chemistry companies. In addition to the kinds of things I write, I will talk about the business aspect, and what it takes to be a successful writer, as well as a successful freelancer.

2:05 10 Combining science writing and technical consulting: A satisfying career choice
John K. Borchardt, jkborchardt@aol.com, Southhaven Communications, 8010 Vista del Sol Drive, Houston, TX 77083-5039

My writing career has evolved continuously since I began writing trade magazine articles in 1987 due to changes in the publishing industry and my transition from being a part-time to a full-time writer/consultant. I will describe these changes, the current publishing climate for science articles and what is required for getting articles published in magazines, newspapers and online (and being paid for them!).

Since I began writing full-time in 2004, I have combined writing science articles with technical writing for companies in the chemical, oil, pharmaceutical and software industries. This corporate writing involves analysis of technology and business competition. In addition, I write research reports for companies whose research scientists and engineers are too busy or no longer available to do so.

2:35 11 Lab to lobbyist and everything in between
William F. Carroll Jr., ACS President, Occidental Chemical Corporation, 5005 Lyndon B. Johnson Freeway, Dallas, TX 75244-6100

In the 21st century, is it a nontraditional career to mesh technology with public affairs and government relations? Perhaps this melding of technical and "higher order" skills becomes the norm for chemists in a globalized world.

3:05 12 Who wants to be a patent litigator?
Justin J. Hasford, Justin.Hasford@finnegan.com, Finnegan, Henderson, Farabow, Garrrett and Dunner LLP, 901 New York Avenue, NW, Washington, DC 20001

Patent law affords numerous career possibilities for chemists seeking non-traditional pathways beyond bench research. One such career option is the practice of patent litigation before the federal courts of the United States. This presentation will examine careers in patent litigation by proceeding through a hypothetical patent infringement case. Law school and law firm options, as well as "non-traditional" avenues within patent litigation itself, also will be considered.

3:35 13 Law student's perspective on careers in patent law
Sarah E. Perlinger, Franklin Pierce Law Center, Two White Street, Concord, NH 03301

This presentation will explore careers in patent law from the perspective of a law student and former Patent Examiner. The speaker will discuss her experiences as a Patent Examiner at the U.S. Patent and Trademark Office, and as a law student studying intellectual property law at Franklin Pierce Law Center.

4:05   Question and Answer

TUESDAY MORNING

CHED - Communicating Chemistry
McCormick Place North N227B, Level 2
Len Fine, John C. Kotz, Organizers; John C. Kotz, Presiding
8:30   Introductory Remarks
8:35 1604 Podcasting and general chemistry: what is my chemistry professor doing in my iPod?
Harshavardhan D Bapat, hbapa1@uis.edu, Chemistry Program, University of Illinois at Springfield, HSB 348, MS HSB 314, One University Plaza, Springfield, IL 62703

The ease of use and availability of iPods and other "pod catchers" has made pod casting one of the latest and fastest growing technologies available. The use of pod casting to deliver course content to students any where the internet can reach is described in this paper. The process of developing and delivering a podcast as well as measures of the effectiveness of pod casting as a pedagogical tool will be presented.

8:55 1605 Hybrid learning as the bridge between technology and pedagogy in the first and second year chemistry curriculum
Thomas Poon, tpoon@jsd.claremont.edu, Joint Science Department, Claremont McKenna, Pitzer, and Scripps Colleges, W.M. Keck Science Center, 925 N. Mills Ave., Claremont, CA 91711 and Tracy Morkin, tmorkin@emory.edu, Department of Chemistry, Emory University, 208 Atwood Hall, Atlanta, GA 30322.

A hybrid of two established pedagogies, distance learning and active learning, has been utilized in the general and organic chemistry curricula in the Chemistry Department at Emory University and the Joint Science Department of the Claremont Colleges, respectively. Two forms of educational technology, streaming Quicktime media and video podcasts, were employed to communicate chemistry. These technologies allowed for the delivery of chemistry instruction from a distance, which in turn facilitated active learning in the classroom through group activities and through the use of personal response systems (clickers). This paper will discuss the strategies and experiences from this approach which allowed for the increase in depth of chemistry instruction without sacrificing breadth of instruction.

9:15 1606 Chemistry breaks the Top 100: Podcasting quantum mechanics
Michelle M. Francl, mfrancl@brynmawr.edu, Department of Chemistry, Bryn Mawr College, 101 N Merion Ave, Bryn Mawr, PA 19010

“Introduction to Quantum Chemistry”, a podcast lecture series from Bryn Mawr College, broke into the iTunes Top 100 in the fall of 2005. The course blended traditional lectures with podcasts, blogs, webcasts and computer based projects, and found an audience of more than a quarter million that extended well beyond the college's walls. Who was the audience, what did they learn and what did the professor discover about teaching in a classroom with virtually no walls?

9:35   Intermission
9:45 1607 Open notebook chemistry using blogs and wikis
Jean-Claude Bradley, bradlejc@drexel.edu, Khalid Mirza, James Giammarco, Alicia Holsey, David Strumfels, Sean Gardner, and Lin Chen. Department of Chemistry, Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104

New online technologies afford powerful new opportunities to communicate chemistry to students, between scientists and with the public at large. In particular, the versatility of blogs and wikis enables the communication of scientific concepts at levels ranging from the popularization of basic ideas to the details of raw experimental data. The application of these tools to publish real time experimental results and progress in a synthetic organic chemistry laboratory will be described.

10:05 1608 What role do grades play in communicating chemistry?
William J. Vining, viningwj@oneonta.edu, Department of Chemistry, State University of New York at Oneonta, College at Oneonta, Oneonta, NY 13820

This presentation will explore the various electronic mechanisms we use in communicating chemistry and analyze the methods by which these can or should be graded. The use of simulations to communicate chemical concepts through discovery will be described, along with methods to grade such activities by students. The use of multimedia to aid in chemical visualization will be described, and the methods by which these activities can be graded. Finally, the role grades can play in bringing students to use new types of tutorial materials- such as podcasts- will be explored, along with the question of whether they should be used.

10:25 1609 Improving the communication and efficiency in grading of laboratory reports
M. Hadley, mary.hadley@mnsu.edu1, Jeffrey R. Pribyl, jeffrey.pribyl@mnsu.edu1, and John A. Kaliski, john.kaliski@mnsu.edu2. (1) Department of Chemistry and Geology, Minnesota State University, Mankato, 242 Trafton Science North, Mankato, MN 56001, (2) Department of Management, Minnesota State University, Mankato, 150 Morris Hall, Mankato, MN 56001

Providing students accurate, consistent and meaningful communication about their performance on laboratory reports can help them better understand the material. Providing feedback in a timely manner also allows students to make adjustments to their studying and provides a solid base upon which to build new material, and can improve student satisfaction with the learning process. Unfortunately, faculty members often find it difficult to provide students with timely, consistent and meaningful feedback when class sizes are large or when there are multiple assignments in a class. To address these difficulties, an automated, rubric-based system know as FastGrade was developed. This study tests the effectiveness and satisfaction resulting from automating the rubric process. Several different laboratory assignments from a beginning level chemistry course were graded using both FastGrade and the traditional, hand graded methods. When the answers to questions are more than just correct or incorrect, grading using FastGrade was statistically significantly faster than the hand graded method. Results from a survey of students about their preference of grading method will also be discussed.

10:45   Intermission
10:55 1610 Enhancing communication in chemistry courses using DyKnowTM
Bridget L. Gourley, bgourley@depauw.edu, Department of Chemistry and Biochemistry, DePauw University, 602 S. College St., Greencastle, IN 46135

DyKnowTM my students dynamically receive the content I am ‘writing on the board' at their computer station. The students then annotate the material enhancing what they take away from each class session because they no longer struggle to catch every subscript or functional group. Their focus is on supplementing what I write with their interpretations about what I say. The pen-based feature of the software allows students to annotate freehand in addition to using keyboard input. Additional features of DyKnow™ increase the interactive nature of the course by allowing the instructor to share individual student work with the entire class. This talk will briefly introduce the tool and then focus on the evidence that using this electronic tool has enhanced communication of material in two 300 level physical chemistry courses and one 100 level inorganic course.

11:15 1611 Taking ownership of learning: Can adding technology to the traditional classroom increase the opportunity for students to be more responsible for their own learning?
C. Michele Turner, cmt@uakron.edu, The University of Akron Wayne College, 1901 Smucker Rd, Orrville, OH 44667

Technology offers us multiple methods of ending the traditional classroom practice of the “talking head instructor” and the “passive listening student”. This presentation will show how a variety of approaches can quickly change the dynamics of the traditional lecture in a chemistry course. Chemistry is a discipline of discovery and naturally offers many chances for students to take charge of their learning experience. By incorporating WebCT and Classroom Performance Systems, the students have greater opportunity to take on more responsibilities for their own learning. This presentation will give an overview of each method and cover both the advantages and disadvantages. In addition, data from the student surveys which reflects their attitude and reactions to these technologies will be presented.

11:35 1612 E-learning chemistry
Jimmy Reeves, reeves@uncw.edu and John Tyrell, tyrellj@uncw.edu. Department of Chemistry and Biochemistry, University of North Carolina Wilmington, 601 S. College Rd, Wilmington, NC 28403

Among the challenges that universities face as the children of the baby boomers reach college age is accommodating the ever increasing numbers of both traditional and nontraditional students who seek our services. This problem is particularly acute in North Carolina, where our state constitution calls for tuition at our public universities to be "as far as practicable…free of expense” so that higher education is available to all of our citizens. One potential solution to this dilemma is to offer distance learning programs and degrees, but few on-line chemistry courses are currently available. This presentation will discuss the creation and implementation of a fully on-line distance learning program leading to a Master of Science in Chemistry, and will include demonstrations of some of the technologies that are being utilized to improve the possibilities of success of the students involved in the program.

11:55   Lunch Break

TUESDAY AFTERNOON

AGRO - Agricultural Biomass, Biobased Products, and Biofuels
Organized by: Justin R. Barone, Cathleen J. Hapeman, Joseph H. Massey, James N. Seiber Presiding: James N. Seiber
1:20   Introductory Remarks
1:25 125 Agricultural biomass, biobased products, and biofuels: Challenges and opportunities
Gale Buchanan, USDA-Research, Education, and Extension, Jamie Whiten Bldg, Washington, DC 20022

The U.S. Department of Agriculture (USDA) and U.S. Department of Energy (DOE) are committed to furthering President Bush's Advanced Energy Initiative (AEI). The AEI seeks to accelerate the commercialization of clean, affordable alternative and renewable sources of energy by changing the way we power our cars, homes, and businesses. The enormous benefits of renewable energy are more recognized and appreciated by Americans today. Renewable fuels are environmentally friendly, producing fewer emissions of greenhouse gases than fossil fuels. In addition to renewable fuels, agricultural and forestry resources provide renewable raw materials for a broad range of nonfood and nonfeed products, such as chemicals, fibers, construction materials, and lubricants. Development and commercialization of such biobased and bioenergy products provide new and expanded markets for agricultural feedstocks, accelerate market penetration, reduce U.S. dependence on foreign oil which contributes to our nation's security, and diversify agriculture while fostering rural and sustainable development.

1:55 126 Biomass-to-ethanol conversion: Strategies for developing flexible biorefineries
William J. Orts, Kevin M. Holtman, Gregory M. Glenn, gmg@pw.usda.gov, Richard Offeman, roffeman@pw.usda.gov, George H. Robertson, grobertson@pw.usda.gov, Syed H. Imam, simam@pw.usda.gov, and Dominic W. S. Wong, dwsw@pw.usda.gov. Western Regional Research Center, USDA-Agricultural Research Service, 800 Buchanan St., Albany, CA 94710-1100

In order for ethanol production to be viable in the western states, a wide range of feedstocks will need to be utilized which will require flexibility in the processing capabilities. For example, California has a limited supply of corn starch, but is the leading agricultural producer of more than 30 distinctly different crops, ranging from garlic, to artichokes, strawberries, walnuts, and grapes. The USDA-ARS has addressed the need for flexible processing of lignocellulosic material via a targeted program aimed at creating the athletic biorefinery, whereby, biomass from a wide array of feedstocks is converted to ethanol within the same plant throughout all seasons. This summary will focus on our strategies to meet this target, including (1) new enzymes and technologies for cellulose-to-ethanol capabilities via directed evolution of microbes, (2) novel separation engineering for ethanol and bioproduct isolation, (3) application of bioproducts, biobased plastics, and co-product utilization, and (4) crop improvement via plant molecular biology. Specific research results will be presented on such areas as cold starch hydrolysis for reducing energy costs during ethanol production, microbial screening methods for improving enzyme specificity and yield, and engineering considerations in developing the flexible, athletic biorefinery. One example of particular note is development of a biomass-to-ethanol pilot plant utilizing a mixture of municipal solids waste (MSW) and ag-derived biomass.

2:20 127 Chemical and physical properties of pretreated biomass that affect enzyme accessibility and digestibility
Mark F. Davis, mark_davis@nrel.gov, Claudia Ishizawa, claudia_ishizawa@nrel.gov, Tina Jeoh, tina_jeoh@nrel.gov, William S. Adney, william_adney@nrel.gov, Michael E. Himmel, mike_himmel@nrel.gov, and David K. Johnson, David_Johnson@nrel.gov. National Bioenergy Center, National Renewable Energy Laboratory, 1617 Cole Blvd, Golden, CO 80401

Understanding the chemical and physical factors governing biomass recalcitrance to enzymatic deconstruction is critical to achieving the biomass refinery concept. Current pretreatment technologies utilizing thermochemical processing to improve the accessibility of the cellulose fraction of biomass to cellulase enzymes tend to be harsh and can result in the accumulation of toxic inhibitors that affect the fermentation process. If we are to replace, or improve current pretreatment regimes with more benign and thus less costly procedures, an in-depth understanding of barriers to cellulase enzymes becomes critical. In this presentation, we examine select chemical and physical properties of pretreated biomass and their impact on enzyme accessibility and ultimately, the conversion of biomass to ethanol. We will discuss how physical parameters such as porosity and cellulose morphology as well as chemical parameters such as hemicellulose and lignin removal affect enzymatic conversion rates. Our findings, based on cellulose hydrolysis and enzyme adsorption data, confirm that improving cellulose accessibility to enzyme attack is critical to efficient conversion. While the removal of xylan and lignin to levels of around 80% increases the digestibility of corn stover, at higher levels of xylan and lignin removal, digestibility was seen to decrease significantly. The study presented here represents an on-going effort at the National Renewable Energy Laboratory to understand biomass recalcitrance using a combination of physical and chemical characterizations and to elucidate the effect of pretreatment processes on cellulase-substrate interactions in enzymatic studies using purified cellulases.

2:45 128 Biodiesel: Science based regulation and consumer protection
Kevin L. Armbrust, armbrust@mscl.msstate.edu, Office of the State Chemist - Mississippi, P.O. Box CR, Mississippi State, MS 39762 and Jose Rodriguez, jmr385@msstate.edu, Division of Petroleum Products, Office of the State Chemist - Mississippi, PO Box CR, Mississippi State, MS 39762

While the use of agriculturally-based biomass is receiving increased attention for the sustainable use of natural resources, it is imperative that products produced and sold to the public are safe and meet specifications established by national associations as well as standards set by federal and state laws. In the case of biodiesel, current specifications only exist for pure (100%) biodiesel and do not address biodiesel blends that may be sold to the general public. Regulations are needed at the State level in order to insure that products produced or imported and sold in the states meet quality standards. In the absence of such standards, biodiesel products sold to consumers could have low flashpoints or exhibit cold-flow instability. The use of such products could damage equipment engines and undermine consumer confidence in this fledgling industry. For example, proposed regulations in Mississippi intend to limit the amount of alcohol allowed in biodiesel blends for retail sale and require current certificates of analysis to address product stability. Such regulations should assist the industry and allow it to grow on a national scale.

3:10   Intermission
3:25 129 Enzyme and microbial bioconversion of agricultural and forestry residues for transportation fuel
Joy Doran Peterson, jpeterso@uga.edu, Kate Brandon, sbrandon@uga.edu, Dana Cook, danacook@uga.edu, Emily DeCrescenzo, emilydhenriksen@gmail.com, Eduardo de Ximines, eximines@uga.edu, Amrutra Jangid, amruta2000@hotmail.com, Zeynep Cvetkovich, zcvet@uga.edu, and Jenna Young, jmy715@uga.edu. Department of Microbiology, University of Georgia, 204 Biological Sciences, Athens, GA 30602

Political, environmental, and economic drivers have aligned to focus intense research and commercialization efforts on renewable fuels. Using agricultural and forestry residues as substrates for enzyme and microbial conversions to fuel adds value to existing processes, while removing a potential waste disposal concern. Substrates examined include: 1) sugar beets and residues, and 2) forestry residue and paper mill sludge. Pectin-rich sugar beet pulp was converted to over 100 gal ethanol/dton of pulp using fungal enzymes and bacterial catalysts. Using a processing residue like beet pulp or paper mill sludge has the added advantage of being collected in one site and already partially processed, thus decreasing overall ethanol production costs. Ethanol produced from fibrous materials such as forestry residues varied according to the additional chemical or physical pretreatment employed and from variations in residue composition. Using forestry residues and thinnings for transportation fuel could help reduce fire danger and improve forest health.

3:50 130 Co-production of fuel ethanol and new value added coproducts
David B. Johnston, david.johnston@ars.usda.gov, Crop Conversion Science & Engineering Research Unit, USDA-Agricultural Research Service, Eastern Regional Research Center, 600 E. Mermaid Lane, Wyndmoor, PA 19038

The production of fuel ethanol using the corn dry grind process produces distillers dried grains with solubles (DDGS) and carbon dioxide as the only coproducts. The DDGS are primarily used as feed for ruminant animals and have limited use in non-ruminants due to the high fiber content. The market price of DDGS has significantly decreased as the number of new dry grind production facilities has increased. The extraction of new coproducts from corn processing has been a long term focus of research in our laboratory. Recently, we began investigating the potential and feasibility of “co-production” of value added products with simultaneous production of ethanol. Several possible strategies have been investigated for making products that can enhance existing coproducts or produce ones that are unique and would represent completely new feeds for the industry. Preliminary data suggest a number of different microbially-derived products can be produced in series (or parallel) with ethanol production while utilizing many common unit operations. This strategy could greatly increase the number of possible products produced by a corn processing facility and could improve the overall economics of fuel ethanol production. An example of the integrated production of a value added product will be presented and an integrated cost model for production will be shown.

4:15 131 Energy balance of switchgrass grown for cellulosic ethanol in the Northern Plains, USA
Marty R. Schmer, mschmer@unlserve.unl.edu1, Kenneth P. Vogel, kpv@unlserve.unl.edu1, Robert B. Mitchell, rmitchel@unlserve.unl.edu1, and Richard K. Perrin, rperrin@unlnotes.unl.edu2. (1) Grain, Forage, and Bioenergy Research Unit, USDA-Agricultural Research Service, 344 Keim Hall, East Campus, Lincoln, NE 68508, (2) Agricultural Economics, University of Nebraska-Lincoln, 314A Filley Hall, East Campus, Lincoln, NE 68583

Switchgrass (Panicum virgatum L.) is a potential, herbaceous feedstock for cellulosic ethanol in the USA. Estimates on switchgrass energy inputs and ethanol energy yields are highly variable and are largely based on small-plot research. A five-year, field-scale trial was completed on 10 farms in the Northern Great Plains to evaluate the energy balance for switchgrass grown for cellulosic ethanol. Energy balances were calculated using the energy and resources group biofuel analysis meta-model (EBAMM) model based on known farm inputs. Nitrogen fertilizer, diesel fuel, and herbicides accounted for 62, 17, and 10%, respectively, of average agricultural energy inputs. Net energy values averaged 21.6 MJ L-1 with a range of 16.9 to 23.7 MJ L-1 for the ten farms. The EBAMM model showed that switchgrass on average produced an estimated 13.5 MJ of ethanol for one MJ input of petroleum.

WEDNESDAY MORNING

AGRO - Agricultural Biomass, Biobased Products, and Biofuels
McCormick Place South S103D, Level 1
Organized by: Justin R. Barone, Cathleen J. Hapeman, Joseph H. Massey, James N. Seiber Presiding: Cathleen J. Hapeman
8:30   Introductory Remarks
8:35 147 Biobased: Making it competitive and sustainable
Robert Fireovid, robert.fireovid@ars.usda.gov, National Program Staff, USDA-ARS, 5601 Sunnyside Avenue, GWCC 4-2176, Beltsville, MD 20705-5138

The Agricultural Research Service (ARS), the in-house research agency of USDA, conducts research to develop solutions to agricultural problems of high national priority. This includes fundamental, long-term, high-risk research as well as more applied, focused, problem-solving research. Research related to biobased products focuses on developing feedstocks and industrial products (including biofuels and bioenergy) that expand markets for agricultural materials, replace imports and petroleum-based products, and offer opportunities to meet environmental needs. New and advanced technologies are developed, modified, and utilized to convert plant and animal commodities and by-products to new products. This includes development of energy crops as well as new crops to meet niche markets, such as natural products for use as nutriceuticals, biopesticides, and other high-value materials. ARS research must also be responsive to consumer demands for high-quality, safe products and to government and consumer pressures providing products that are environmentally-friendly and are produced using processes that are not harmful to people, animals, and the environment. Successful completion of these goals will allow ARS to contribute to a sustainable and profitable agricultural production system.

9:00 148 Developing herbaceous energy crops as feedstocks for bioethanol production
Bruce S. Dien, dienb@mail.ncaur.usda.gov1, Michael A. Cotta, cottama@ncaur.usda.gov1, Hans-Joachim G. Jung, jungx002@umn.edu2, and Kenneth P. Vogel, kpv@unlserve.unl.edu3. (1) Fermentation Biotechnology Research Unit, USDA-Agricultural Research Service, National Center for Agricultural Utilization Research, 1815 N. University Street, Peoria, IL 61604, (2) Plant Science Research Unit, USDA-Agricultural Research Service, 411 Borlaug Hall, 1991 Upper Buford Circle, St. Paul, MN 55108-6026, (3) Grain, Forage, and Bioenergy Research Unit, USDA-Agricultural Research Service, 344 Keim Hall, East Campus, Lincoln, NE 68508

Perennial herbaceous crops with high biomass yields are promising substrates for producing bioethanol. A variety of biomasses including cool and warm season grasses and a legume are being evaluated for this purpose. As a first approach, biomass materials were pretreated with dilute sulfuric acid and either converted to sugars by solely adding commercial cellulase preparations or to ethanol by co-adding Saccharomyces cerevisiae. Sugar and ethanol yields were influenced by both plant type and harvest maturity. Conversion efficiency was found to decrease and carbohydrate content to increase with maturity. Also, alfalfa stem was more recalcitrant than other sources of biomass tested to pretreating with dilute acid. A critical issue found for herbaceous biomass was the relatively high amounts of soluble sugars compared to other sources of biomass. It was determined that treating with dilute acid may be impractical as the pretreatment converts these sugars to furans which inhibit the subsequent yeast fermentation. Currently, other pretreatment methods are being explored that are more amendable to preserving these sugars.

9:25 149 Alternative feedstocks for renewable green energy fuel
Ashli E. Brown, ab506@msstate.edu1, Emily R. Easterling, easterling@che.msstate.edu2, Elizabeth C. Rogers, ecr2@ra.msstate.edu3, William E. Holmes, wholmes@ra.msstate.edu3, Rafael Hernandez2, and W. Todd French2. (1) Department of Biochemistry and Molecular Biology, Mississippi State University, P.O. Box 9650, Mississippi State, MS 39762, (2) Dave C. Swalm School of Chemical Engineering, Mississippi State University, P.O. Box 9595, Mississippi State, MS 39762, (3) State Chemical Laboratory, Mississippi State University, Box CR, Mississippi State, MS 39762

High prices for petroleum have enhanced interest in alternative fuels such as biodiesel. Currently, the majority of biodiesel is produced from the transesterification of soybean and canola oils resulting in fatty acid methyl esters and glycerol, an unwanted by product. Feedstocks which do not compete with food crops and the development of alternative uses for glycerol is needed for biodiesel to become an economically feasible energy source. We examined Hesperis matrinalis, a winter planted annual and Rhodotorula glutinis, an oleaginous yeast, as two potential lipid sources. The yeast cells were cultivated on medium containing glycerol alone and in combination with a variety of sugars. The oils were extracted from both sources, transesterified, and analyzed by GC/MS to identify the free fatty acid content. H. matrinalis generated 23% oil and R. glutinis generated between 16% and 34% oil depending on the medium. The following were identified by GC/MS as the major components of the fatty acid profile: palmitic (C16:0), steric (C18:0), oleic (C18:1), linoleic (C18:2), and linolenic (C18:3).

9:50 150 Aspergillus flavus genomic data mining provides clues for its use in producing biobased products
Jiujiang Yu, jiuyu@srrc.ars.usda.gov1, William C. Nierman, wnierman@tigr.org2, Deepak Bhatnagar1, and Thomas E. Cleveland, eclevela@srrc.ars.usda.gov1. (1) Southern Regional Research Center, USDA-Agricultural Research Service, 1100 Robert E. Lee Blvd., New Orleans, LA 70124, (2) The Institute for Genomic Research, 9712 Medical Center Dr, Rockville, MD 20850

Aspergillus flavus is notorious for its ability to produce aflatoxins. It is also an opportunistic pathogen that infects plants, animals, and human beings. The ability to survive in the natural environment, living on plant tissues (leaves or stalks) or live or dead insects, make A. flavus a ubiquitous species that can be found almost everywhere on our planet. The saprophytic property of A. flavus has rarely been explored for its potential benefit. In the course of investigating its pathogenic mechanism, we have identified a gene encoding for a pectinase that is capable of degrading complex starch into simple sugars for its nutrition. It is well known that A. flavus possesses a whole array of degrading enzymes that can breakdown organic matter, such as cellulose, and produce energy. A. flavus whole genome sequencing has been completed at The Institute for Genomic Research (TIGR). Genes identified in the A. flavus genome that potentially encode for enzymes involved in degrading organic matter, include cellulases, 11 amylases, 5 proteinases, 8 polygalacturonases, and hundreds of hydrolases. These fungal enzymes could play important roles for its saprophytic property. The A. flavus whole genome microarrays can be used for genome-wide gene profiling and genetic expression studies. Genetic engineering of the fungal genome can be considered to create a highly efficient bio-degrader for bioconversion or for organic waste recycling, particularly in the production of biofuels.

10:15   Intermission
10:30 151 Fully automated molecular biology routines for evaluation and characterization of industrial yeast strains optimized for ethanol production from cellulosic biomass and for biobased-pesticide expression
Stephen R. Hughes, hughessr@ncaur.usda.gov, Bioproducts and Biocatalysis Research Unit, USDA-Agricultural Research Service, National Center for Agricultural Utilization Research, 1815 North University Street, Peoria, IL 61604

To meet increasing demand for energy from agricultural materials to replace petroleum-based energy sources, fuel ethanol production from agricultural feedstocks must be optimized. USDA-ARS has developed the first fully-automated platform employing molecular biology routines to optimize genes for engineering an industrial Saccharomyces cerevisiae strain to ferment xylose from corn fiber as well as glucose from corn starch. The automated platform is also used to incorporate genes into this yeast to express a commercially-useful, biobased product with pesticidal activity against the corn earworm in addition to expressing xylose isomerase and other genes for fermentation of xylose from hydrolyzed cellulosic biomass. Genes are optimized using an amino acid scanning mutagenesis strategy; the improved yeast strain is then screened for optimal growth on pentose sugars. All operations of the automated workcell will be discussed, including expression protocols for profiling and characterizing the pesticide and the optimized open reading frames.

10:55 152 Biological abatement for removal of inhibitors from biomass sugars
Nancy N. Nichols, nicholnn@ncaur.usda.gov1, C. Kevin Chambliss, Kevin_Chambliss@baylor.edu2, G. Peter van Walsum, GPeter_van_Walsum@baylor.edu3, Lekh Nath Sharma2, and Bruce S. Dien, dienb@mail.ncaur.usda.gov1. (1) Fermentation Biotechnology Research Unit, USDA-Agricultural Research Service, National Center for Agricultural Utilization Research, 1815 N. University Street, Peoria, IL 61604, (2) Department of Chemistry and Biochemistry, Baylor University, P.O. Box 97348, Waco, TX 76798, (3) Department of Environmental Studies, Baylor University, P.O. Box 97266, Waco, TX 76798-7266

An important barrier to commercialization of the biomass-to-ethanol process is the presence of substances that are toxic to fermenting microorganisms. Organic acids, aldehydes, phenolics, and furan compounds arise during acid hydrolysis of lignocellulosic biomass and may cause slow or failed fermentations. We have developed a bioremediation strategy to detoxify biomass sugars prior to fermentation. Microorganisms were enriched from soil for their capacity to metabolize ferulic acid, furfural, and 5-hydroxymethylfurfural and for their ability to grow in acid hydrolysate of corn stover. The best isolate for removing inhibitors was a fungus, Coniochaeta ligniaria NRRL 30616. Analytical extraction of corn-stover hydrolysate followed by HPLC and LC-MS analyses has been used to quantitate a variety of aromatic acid, aliphatic acid, and aldehyde and phenolic degradation products. This approach was used to follow the removal of several important compounds during inhibitor abatement.

11:20 153 FT-IR analysis of oil feedstock and biodiesel quality
Justin R. Barone, jbarone@vt.edu, Biological Systems Engineering, Virginia Polytechnic Institute and State University, 0303 Seitz Hall, Blacksburg, VA 24061

Fourier transform infrared (FT-IR) spectroscopy is used to evaluate the quality of various agriculturally-derived oils used as feedstocks for biodiesel production and the quality of the produced biodiesel. Most important to feedstock quality is the assessment of free fatty acid (FFA) content as evidenced by acid peaks in the spectrum that are separate from ester peaks. Many qualitative differences exist between the oil feedstock and the transesterified methyl esters and these will be highlighted. More importantly, quantitative assessment of the transesterification reaction is possible by monitoring the appearance of new methyl peaks in the FT-IR spectra. Quantitative results will be presented as equations that utilize the methyl peak areas intensities and positions in the FT-IR spectra to assess the extent of reaction.

11:45 154 Effects of production practices on biodiesel quality
Jose Rodriguez, jmr385@msstate.edu and Kevin L. Armbrust, armbrust@mscl.msstate.edu. Division of Petroleum Products, Office of the State Chemist - Mississippi, PO Box CR, Mississippi State, MS 39762

The demand for transportation fuels is increasing around the world especially the demand for petroleum-based fuels. To cope with rising demand and dwindling petroleum reverses, alternative motor fuels such as biodiesel are at the forefront of commercialization. Biodiesel is composed of mono-alkyl esters of long chain fatty acids. These esters are produced when vegetable oil, animal fat, or recycled grease (containing triglycerides) is reacted with an alcohol, usually methanol. A stochiometric excess of alcohol and a catalyst is required for the effective production of the alkyl esters. In order to be commercially available and to receive federal and state incentives, biodiesel must meet the specifications in ASTM 6751, Standard Specification for Biodiesel Fuel (B100) Blend Stock for Distillate Fuels. A minimum flash point (closed cup) specification of 130°C is set by ASTM 6751 and is an indicator of flammability and a measurement of residual alcohol in B100. The excess alcohol can be removed by conventional or vacuum distillation. However, residual alcohol in the biodiesel phase can only be removed by water wash steps or by flash distillation. Improper removal of residual alcohol results in flash points below 130°C and safety concerns for consumers of these products.

12:10   Lunch Break
4:40   Panel Discussion

WEDNESDAY MORNING

CHED - Communicating Chemistry
McCormick Place North N227B, Level 2
Len Fine & John C. Kotz, Organizers; John C Kotz, Presiding
8:30   Introductory Remarks
8:35 1698 Teaching chemical information: Tips and techniques from the Division of Chemical Information Education Committee
Susan Cardinal, SCARDINAL@LIBRARY.ROCHESTER.EDU, Carlson Library, University of Rochester, Rochester, NY 14627 and Song Yu, sy2133@columbia.edu, Columbia University Libraries, Columbia University, 454 Chandler, 3010 Broadway, New York, NY 10027

Students need information to solve chemical problems and chemical information sources are rapidly expanding. Students will be more successful in courses and in the research lab if they develop good information literacy skills. The Chemical Information Division offers many resources for chemical educators incorporating inforamtion literacy into their curricula. This presentation will give a taste of our training programs and resources.

8:55 1699 Communicating the chemistry behind issues
Bhawani Venkataraman, venkatab@newschool.edu, Science Technology and Society, Eugene Lang College, The New School, 65W 11th Street, New York, NY 10011

This paper presents examples from undergraduate courses designed to teach chemistry in context with issues that engage students, such as the environment, chemical origins of life, and nanotechnology. The courses focus around a topic to stimulate interest in understanding fundamental chemical principles. The topic becomes the focus of the course with the chemistry taught to advance understanding of the topic. The courses make use of computational molecular modeling, problem-solving activities, data from the scientific literature, scientific visualizations, policy briefs, and books to assist in making the connections between the fundamental chemistry and the engaging topic.

9:15 1700 Teaching chemistry majors to write like chemists
Marin S. Robinson, marin.robinson@nau.edu, Department of Chemistry, Northern Arizona University, Box 5698, Building 20, Flagstaff, AZ 86011-5698 and Fredricka L. Stoller, Department of English, Northern Arizona University

Writing is the primary means of communicating chemistry, but writing skills are often neglected in the chemistry curriculum. To reverse this trend, we have developed instructional materials (targeting the journal article, poster, and research proposal) to help chemistry faculty teach their students to write. The materials have been piloted at 16 institutions and used or reviewed by over 300 students and 40 faculty. The materials will culminate in a textbook, Write Like a Chemist, under contract with Oxford University Press for publication in 2008. As a result of this project, we have learned a great deal about challenges students face as they first try to communicate their science. For this presentation, we will distill those challenges into a “ten to watch” list, spanning issues of audience, organization, and writing conventions. Related instructional activities will be shared, focusing on those most easily integrated into existing upper-division or graduate chemistry courses.

9:35   Intermission
9:45 1701 Investigational writing exercises to complement undergraduate biochemistry experiments
Pamela J. Higgins, Department of Chemistry, Dickinson College, PO Box 1773, Carlisle, PA 17013

In addition to introducing students to common biochemical techniques, the laboratory component of Dickinson College's Biochemistry course also involves teaching students how to convey their experimental data in a more professional manner. Students struggle with the transition from “writing everything down” in the laboratory notebook to reporting data in a “concise yet complete” manner that is required by the scientific community. Using guided investigational writing exercises involving excerpts from the journal Biochemistry, students determined what critical experimental information should be extracted from their notebook and subsequently included in a report. Multiple examples of these exercises will be presented and discussed. This investigative model resulted in a higher quality of writing in biochemistry laboratory reports and enhanced student skills in dissecting the finer points of scientific communication in the primary literature.

10:05 1702 Readability levels of college chemistry textbooks from introductory chemistry to physical chemistry
Elizabeth A Drommerhausen, elizabeth.drommerhausen@mnsu.edu and Jeffrey R. Pribyl, jeffrey.pribyl@mnsu.edu. Department of Chemistry and Geology, Minnesota State University, Mankato, 242 Trafton Science North, Mankato, MN 56001

The perception of many students is that their chemistry textbooks are difficult to read. Textbooks often present too many concepts at once and contain numerous vocabulary words in a unit. The reading level, also known as the readability level, is an important factor to be considered during textbook selection. Our work demonstrates that chemistry textbooks typically are written at a reading level above college students' abilities. Numerous college chemistry textbooks used throughout an undergraduate chemistry program (from Introductory Chemistry to Physical Chemistry) were analyzed for their readability level using several standard readability formulas and graphs. Results of this work show that organic and biochemistry textbooks are the most difficult to read due to the extensive use of chemical nomenclature. Readability levels of textbooks in the various chemical disciplines will be discussed.

10:25 1703 Student opinions of writing assignments in organic chemistry courses for majors
David P Cartrette, david.cartrette@sdstate.edu, Department of Chemistry and Biochemistry, South Dakota State University, 2202 Rotunda Lane, Brookings, SD 57007

The advent of programs like Writing Across the Curriculum has placed greater focus on writing in all courses, including the sciences. Research on the impacts of these programs has shown that writing assignments can produce gains in student motivation and understanding. Most literature accounts regarding the use of writing assignments has been derived from general chemistry courses for non-science majors in liberal arts settings. This study was undertaken to solicit the opinions of chemistry majors and honors students who took an organic chemistry sequence in which writing assignments were used. Participants were asked to evaluate the topics of the assignments, the impacts on motivation for learning the material and applying it, and whether critical thinking was enhanced by writing papers. Results indicated that students' learning and motivation varied based on the topic of each paper, but most indicated an enhanced understanding of how organic chemistry applies to real-world situations.

10:45   Intermission
10:55 1704 How to think logically about organic chemistry
Elizabeth T. Papish, etpapish@salisbury.edu, Department of Chemistry, Salisbury University, Salisbury, MD 21801

A series of ten instructional guides for Organic Chemistry I and II were designed and implemented. These instructional guides emphasized the overarching themes that pervade organic chemistry. Each guide illustrated a methodical, step by step approach not commonly taught in organic chemistry. A logic-based flowchart was included to help students determine which reaction type is most likely. The aim of these guides is to help students see each new reaction as a paradigm that can be methodically learned and applied to examples both familiar and new. Quizzes were also used to allow students to practice using the flowcharts and test their understanding. An assessment of this approach through exam scores and surveys will also be discussed.

11:15 1705 Communicating the concepts of resonance and conjugation
Joseph J. Mullins, mullinjj@lemoyne.edu, Department of Chemistry, Le Moyne College, 1419 Salt Springs Road, Syracuse, NY 13214

Effectively communicating key concepts of chemistry is important, especially when considering crucial, frequently seen topics. Language, definition and terminology play an important role in this process. Resonance, conjugation and hyperconjugation are topics that, in both general and organic chemistry, explain and predict a wide variety of phenomena. Past, current and suggested definitions and usage of these terms will be discussed. Since the first issuance of the term resonance, debate has ensued for how best to describe this important delocalization effect. Hyperconjugation has long been recognized as important, yet differences exist as to its relative importance in stabilizing reactive intermediates. Why are these topics defined as they are, and why are they introduced in the order in which they commonly appear? This lecture will address these issues and suggest a new model for communicating them.

11:35 1706 Use of humor and illustrations in organic chemistry lectures
Veljko Dragojlovic, vdragojl@fau.edu, Honors College of Florida Atlantic University, 5353 Parkside Drive, Jupiter, FL 33458

Most students who take organic chemistry have limited interest in the subject. Frequently they are overwhelmed by the amount and the level of difficulty of the material. In order to help students understand and recall the material and make the lectures more interesting, a number of illustrations, in a form of short comics, have been developed. An example of illustration of “bow tie” convention for drawing of Fischer projection formulas is shown here. Additional examples such as use of “small animal convention” in drawing Fischer projection formulas, an illustration of a Tollens' test, a way to make study of organic nomenclature more interesting and an illustration of role of keratin will be presented.

WEDNESDAY MORNING

MEDI - High Throughput Screening and Drug Discovery
McCormick Place Lakeside E353 C, Level 3
Janak K. Padia, Organizer & Presiding
9:00 248 Effective biological assay support for medicinal chemists
Yanlong Li, yli@incyte.com, Applied Technology Group, Incyte Corporation, Route 141 and Henry Clay Road, Wilmington, DE 19880

High-throughput screening (HTS) can be used as a cross-disciplinary tool to bridge medicinal chemistry and drug discovery biology for efficient knowledge creation and utilization. This presentation focuses on the practical aspects of compound management, biological assay design and implementation, data management, and productive communication. Based on a few discovery programs at Incyte, the presentation illustrates how to effectively integrate different components of HTS into the drug discovery process to maximize HTS utility. The value creation is exclusively evaluated by medicinal chemists and ultimately by measurable contribution to the preclinical candidates. The topics range from how to apply a high-throughput mode of inhibition determination method to how to minimize redundant interaction by communicating directly with corporate database and automatically triggering downstream assay requests.

9:40 249 Use of BacMam transient expression technology
Zining Wu, Zining.2.Wu@gsk.com, Screening & Compound Profiling, GlaxoSmithKline, 1250 S. Collegeville Road, Collegeville, PA 19426

In today's drug discovery environments, cell-based assays are often applied in HTS to screen compounds with pharmacological interests. Mammalian cells with stably transfected target genes are regularly utilized, because they provide a more native host background. However, HTS with stable cells are often costly, labor intensive and time consuming. Another concern is over a prolonged time in culture, or with the shift to automated large-scale tissue culture, there is often a decrease in expression level of target genes. These could result in large variation in assay quality and compounds' pharmacological behavior. This presentation discusses the applications of a baculovirus system (BacMam) as the delivery vehicles to express drug targets, accessory proteins and reporter genes in host cells. The BacMam technology offers numerous advantages as a rapid, simple, and robust transient expression system. It enables us to complete HTS with higher quality and in shorter cycle time. The consistency of BacMam system also allows us to provide dependable SAR information for ongoing chemistry efforts. Because expression levels of target proteins can be easily adjusted, it also provides tools to study detailed pharmacology of compounds, including in condition closely mimic in vivo. Examples of applying BacMam technology in HTS and compound profiling targeting G protein-coupled receptors are presented here.

10:20 250 Discovery of novel inhibitors of methionine aminopeptidase by HTS
Qi-Zhuang Ye, yeq@iupui.edu, Department of Biochemistry and Molecular Biology, Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN 46202

Methionine aminopeptidase (MetAP) catalyze the removal of the N-terminal methionine from newly synthesized proteins in all types of cells. Inhibitors of MetAPs are of considerable interest as potential antibacterial, antifungal and anticancer agents. All MetAPs require a divalent metal ion such as Mn(II), Fe(II), Co(II) for activity, but it is not certain which of these ions is most important in vivo. Relatively few nonpeptidic MetAP inhibitors are known, and they either show low selectivity among various metalloforms in vitro or have not been tested on metalloforms other than the Co(II)-form. New metalloform-selective MetAP inhibitors are valuable for defining which metals are physiologically important for MetAP activation and could serve as leads for development of new therapeutic agents. We have screened a library of small drug-like molecules against E. coli MetAP and discovered groups of unique inhibitors of this enzyme that are not only potent but highly selective for different metalloforms.

11:00 251 Application of a quantitative HTS approach for accelerating Hit-to-Lead process in discovery of glucocerebrosidase inhibitors
Wei Zheng, wzheng@mail.nih.gov, NIH Chemical Genomics Center, National Human Genome Research Institute, NIH, 9800 Medical Center Drive, Building B, MSC: 3370, Bethesda, MD 20892-3370 and Janak K. Padia, NIH Chemical Genomics Center, National Institutes of Health, NIH, NHGRI, NCGC, MSC 3370, 9800 Medical Center Drive, Bethesda, MD 20892-3370

Quantitative high throughput screening (qHTS) is a new screening paradiagm in which all compounds in collection are screened with a seven-concentration titration. It provides detailed information including compound potncy and ranking order, and allows rapid clustering and SAR analysis of active compounds without cherry-picking and confirmation. We have applied this new approach to screen glucocerebrosidase inhibitors and identified three novel structure classes of the leads. Further more, their SARs were rapidly expanded based on the information from qHTS and these inhibitors showed the high selectivity over the other three hydrolases. Therefore, qHTS has been proved as an efficient method for identifying the high quality leads and facilitating the hit-to-lead progression in drug discovery.

11:40 252 Molecular profiles in drug discovery: using pathway signatures to indentify Inhibitors of the Beta-catenin and Aurora pathways
Stephen K. Horrigan, shorrigan@avalonrx.com, Avalon Pharmaceuticals, 20358 Seneca Meadows Parkway, Germantown, MD 20876

Conventional drug discovery and development is centered on a paradigm in which “validated” targets are subjected to in vitro screens for the identification of new drug candidates. Molecular profiling using genomic approaches is becoming an important complement to this process, and may eventually become a new paradigm for drug discovery that is based on monitoring critical pathway activity using complex biomarker sets. We have developed a high-throughput transcriptional screening system to monitor genomic response profiles within living cells for the identification of modulators of important pathways. This approach allows a universal, straightforward method to design a screen essentially any target or pathway, and to optimize the activity of the identified compounds. We have used this system to identify and describe the mechanisms of inhibitors of both the Beta catenin and Aurora pathways. Lead optimization and biomarker development in both programs will be described.

THURSDAY MORNING

AGRO - Agricultural Biomass, Biobased Products, and Biofuels
McCormick Place South S103D, Level 1
Organized by: Justin R. Barone, Cathleen J. Hapeman, Joseph H. Massey, James N. Seiber Presiding: Joseph H. Massey
8:30   Introductory Remarks
8:35 195 Properties of biodegradable feather keratin polymers
Justin R. Barone, jbarone@vt.edu, Biological Systems Engineering, Virginia Polytechnic Institute and State University, 0303 Seitz Hall, Blacksburg, VA 24061

The properties of a recent class of polymers created from poultry feather keratin are described. A “cradle to grave” approach is employed and production of the polymers, uses, and finally biodegradation characteristics will be described. Properties are dependent on the amino acid composition of the feather keratin and modification of the amino acids to elicit new properties. Melt-state properties of the feather keratin such as viscosity can be modified with the use of reducing agents such as sodium sulfite and lubricants such as poultry fat. Solid-state properties can be modified using divalent transition metal ions to affect stiffness and smell.

9:00 196 Biopolymers from polylactic acid and milk proteins
Charles Onwulata, Charles.Onwulata@ars.usda.gov and Peggy Tomasula. Dairy Processing and Products Research Unit, USDA-Agricultural Research Service, Eastern Regional Research Center, 600 E. Mermaid Lane, Wyndmoor, PA 19038

Polylactic acid (PLA) is a commercially-available biodegradable polymer derived from lactic acid and is used in many products as an alternative to petrochemical-derived polymers. However, the physical properties limit its use in many applications. Using dairy proteins to substitute for portions of PLA in a formulation may extend its use and prevent shortages of PLA. This work reports on the mechanical and thermal properties of composites made from PLA substituted with starch-whey concentrates and casein blends (DPB). The blends were extruded under the following conditions: mass flow rates (27 to 102 g/min), solids feed rates (0.43 to 2.85 g/sec), moisture (30 to 75%); extrusion melt profiles were: 75, 90, 100, 100, 90, 80°C; and molding conditions at 200°C and 12,000 psi. The physical properties of the extruded DBP were moisture 14-18%, peak tensile strength 4.5 mPa, thickness 3.9 mm, elongation at break 45%, and storage modulus 5.0 mPa. Injection molded product peak melt temperature shifted down in order: PLA 132.8°C, DBP/PLA (10/90%) 149.4/130.3°C, DBP/PLA (20/80%) 148.8/128.2°C, indicating softening of PLA when combined with DBP. Dairy proteins, whey and casein, may provide an advantage by lowering the peak molding temperature of PLA allowing for more biomaterials to be used. Further work is needed to improve the extrusion compounding and miscibility of this high-temperature melting PLA and high-temperature burning-DBP blend.

9:25 197 Extraction and electrospinning of zein extracted from corn gluten meal using acetic acid
G. W. Selling, sellingg@ncaur.usda.gov and Kristen K. Woods, woodskk@ncaur.usda.gov. Plant Polymer Research, USDA-Agricultural Research Service, National Center for Agricultural Utilization Research, 1815 N. University St., Peoria, IL 61604

It has been demonstrated that zein fibers can be produced using the electrospinning technique. Fibers electrospun from acetic acid solution under suitable conditions provide fibers with a more consistent morphology (round, 0.5-2.0μ fibers) compared to fibers produced form aqueous ethanol solutions. Spinning continuity of zein acetic acid solutions is significantly improved as well. Commercial zein is produced via extraction of corn gluten meal using aqueous alcohol solvents. In order to better model a possible commercial process, acetic acid was used to extract zein from corn gluten meal. It was found that acetic acid removes more protein than the more traditional solvent systems. The impact of time, temperature, and other solvents on extractability will be presented. The zein acetic acid solution obtained from corn gluten meal was successfully electrospun producing fibers of similar quality to that produced from commercial zein.

9:50 198 Improved physical properties of zein using glyoxal as a crosslinker
Kristen K. Woods, woodskk@ncaur.usda.gov and Gordon W. Selling, sellingg@ncaur.usda.gov. Plant Polymer Research, USDA-Agricultural Research Service, National Center for Agricultural Utilization Research, 1815 N. University St., Peoria, IL 61604

The effect of the crosslinkers, glyoxal, methylglyoxal, and formaldehyde, on the physical properties of zein films was studied. Crosslinker concentrations varied from 0.3-6% by zein weight. Films crosslinked with glyoxal and formaldehyde showed a significant increase in tensile strength under certain pH conditions. Films of glyoxal reactions conducted at basic pH gave the highest overall tensile strength, with a 52% increase compared to the control film. Formaldehyde films had improved tensile strength when reacted at acidic or neutral pH. Methylglyoxal had no effect on the tensile strength of zein films. Zein films crosslinked with glyoxal or formaldehyde were found to swell, rather than degrade, when placed in three compatible solvents. Films crosslinked with glyoxal were resistant to boiling water. Denaturing gel electrophoresis of glyoxal and formaldehyde reactions showed the presence of high molecular weight moieties when compared to control reactions.

10:15   Intermission
10:30 199 Arthropod repelling constituents from a southern folk remedy: Investigations of the American beautyberry, Callicarpa americana
Charles L. Cantrell, clcantr1@olemiss.edu1, Charles T. Bryson, cbryson@ars.usda.gov2, Stephen O. Duke, sduke@olemiss.edu1, Jerome A. Klun, klunj@ba.ars.usda.gov3, and John F. Carroll, jcarroll@anri.barc.usda.gov4. (1) Natural Products Utilization Research Unit, USDA-Agricultural Research Service, P.O. Box 8048, University, MS 38677, (2) Southern Weed Science Research Unit, USDA-Agricultural Research Service, P.O. Box 350, Stoneville, MS 38776, (3) Chemicals Affecting Insect Behavior Laboratory, USDA-Agricultural Research Service, Beltsville Agricultural Research Center, 10300 Baltimore Ave., Bldg. 007, Rm. 301, BARC-West, Beltsville, MD 20705, (4) Animal Parasitic Diseases Laboratory, USDA-Agricultural Research Service, Beltsville Agricultural Research Center, Bldg. 1040, BARC-East, Beltsville, MD 20705

Based on botanical lore of insect repellent properties, essential oil extracts from Callicarpa americana and Callicarpa japonica were investigated. Bioassay-guided fractionation of C. americana extracts using the yellow fever mosquito, Aedes aegypti, led to the isolation of α-humulene, humulene epoxide II, and intermedeol, and a newly isolated terpenoid (callicarpenal). Similar work involving C. japonica resulted in the isolation of an additional compound, spathulenol, as well as the four compounds isolated from C. americana. Heretofore, 13,14,15,16-tetranor-3-cleroden-12-al, callicarpenal, has never been identified from natural sources. In bite-deterrent studies spathulenol, intermedeol, and callicarpenal showed significant bite-deterring activity against Aedes aegypti and Anopheles stephensi. The repellency of callicarpenal and intermedeol against workers of red imported fire ants, Solenopsis invicta and black imported fire ants, Solenopsis richteri will also be reported. In addition, callicarpenal and intermedeol were evaluated in laboratory bioassays for repellent activity against host-seeking nymphs of the blacklegged tick, Ixodes scapularis, and lone star tick, Amblyomma americanum and results will be presented.

10:55 200 Biobased Herbicides
Franck E. Dayan, fdayan@olemiss.edu and Stephen O. Duke, sduke@olemiss.edu. Natural Products Utilization Research Unit, USDA-Agricultural Research Service, P.O. Box 8048, University, MS 38677

Herbicides amount to more than half of all agricultural pesticides used in the developed world. The availability of insect and disease resistant transgenic crops that reduces the reliance on other synthetic pesticides will contribute to a further increase in the relative proportion of herbicides in the pesticide market. The use of biobased herbicides, either in the form of phytotoxic natural products applied conventionally or in the form of allelopathic crops that would repress the growth of weeds by releasing their own phytotoxins, can potentially be used as low input alternatives. Simple biobased herbicides such as acetic acid, fatty acids, and oils are commonly used as alternative to synthetic compounds. However, the most widely-used, natural herbicide is the microbial secondary metabolite bialaphos (a natural form of phosphinothricin or glufosinate). This glutamine synthase inhibitor was first introduced in Japan in 1984 and is now used under one form or another in more than 40 countries. Its synthetic counterpart is most commonly used on genetically engineered glufosinate-resistant crops that either express the bar or PAT genes. Other natural products have served as templates for the development of commercial analogues. For examples, the p-hydroxyphenylpyruvate dioxygenase inhibitors, sulcotrione and mesotrione, were derived from leptospermone, a natural triketone, isolated from bottlebrush. Allelopathy is an often-overlooked approach to reduce synthetic pesticide output. However, work in allelopathic rice demonstrated that excellent weed control could be achieved using half the normal rate of herbicide. Selection of highly allelopathic crop varieties, either through traditional breeding or using genetic engineering techniques, may also provide novel and low input environmentally-friendly approaches to weed control.

11:20 201 Single-use, disposable food containers: Starch-based alternatives to petroleum-based plastics
Gregory M. Glenn, gmg@pw.usda.gov, Charles N. Ludvik, Artur P. Klamczynski, arturk@pw.usda.gov, William J. Orts, Syed H. Imam, and Delilah Wood. Bioproduct Chemistry and Engineering Research, USDA-Agricultural Research Service, Western Regional Research Center, 800 Buchanan Street, Albany, CA 94710

The use of valuable petroleum resources to make single-use, disposable plastic foodservice containers has raised concerns among environmental and consumer groups. Billions of single-use food service containers are used each year in the U.S. alone to dispense beverages and serve food. Starch is an abundant, inexpensive, renewable resource derived primarily from cereal and tuber crops. A baking technology has been developed to produce degradable food containers with functional properties similar to those of polystyrene foam products. The product is a composite material consisting of a vapor barrier film, starch, fiber, and other minor ingredients. Starch/fiber foam composites have also been made using extrusion technology. The extruded composite materials containing fiber have improved tensile strength and modulus and are more stable during aging than materials that do not contain fiber.

11:45 202 Incorporation of bacteriocin in edible pectin films for antimicrobial packaging
LinShu Liu, lsliu@errc.ars.usda.gov1, Tony Jin, Tony.Jin@ras.usda.gov2, Cheng-Kung Liu, Chengkung.Liu@ars.usda.gov3, Kevin B. Hicks, kevin.hicks@ars.usda.gov1, Amar K. Mohanty, mohantya@msu.edu4, Rahul Bhardwaj, bhardwa5@msu.edu4, and Manjusri Misra, misraman@egr.msu.edu5. (1) Crop Conversion Science and Engineering Research Unit, USDA-Agricultural Research Service, Eastern Regional Research Center, 600 E. Mermaid Lane, Wyndmoor, PA 19038, (2) Food Safety Intervention Technology Research Unit, USDA-Agricultural Research Service, Eastern Regional Research Center, 600 E. Mermaid Lane, Wyndmoor, PA 19038, (3) Fats, Oils and Animal Co-Products Research Unit, USDA-Agricultural Research Service, Eastern Regional Research Center, 600 E. Mermaid Lane, Wyndmoor, PA 19038, (4) School of Packaging, Michigan State University, 130 Packaging Building, East Lansing, MI 48824, (5) Composite Materials and Structures Center, Michigan State University, 2100 Engineering Building, East Lansing, MI 48824

Edible, antimicrobial films were prepared by extrusion blown film process. Blends of pectin, fish skin gelatin or soybean flour protein, and a bacteriocin, nisin were chosen to prepare the edible, antimicrobial films. The blends were prepared using a ZSK-30 twin-screw extruder. The compounded pellets were then used to prepare blown film using a Killion-KLB-100 extruder. The films retained activity against the indicator bacterial, L. plantarum. The resulting films also possess appropriate mechanical properties for food packaging.

12:10   Lunch Break

 

 

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