ACS Spring 2005 Seminar Omni San Diego Hotel, 675 L Street, San Diego, CA, USA Sunday, March 13, 2005   Talk Schedule   Title:   Examining a Problem-Based Approach to Teaching NMR Interpretation and Structure Elucidation Presenter:   Scott MacDonald, Robin Martin Date:   Monday, March 14, 2005 @ 11:45 AM - 12:05 PM Location:   Holiday Inn on the Bay - Porthole Abstract #:   CHED 255 Abstract:   NMR interpretation, an essential skill in structure elucidation, is a core fundamental technique taught in undergraduate organic chemistry courses. This presentation will outline how many of our clients at both research and academic institutions tackle the challenge of teaching NMR interpretation. This is accomplished by following the historical elucidation of a natural or synthetic product, which is carried out by gathering structural information from running a battery of analytical tests including NMR, MS, and FT-IR. Students are given the experimentally/analytically derived information for the elucidation and, through the use of prediction software, asked to interpret the results, answer questions, and write a short summary report. The skills obtained through this exercise can then be transferred to their own unknown elucidations given later in the semester or in subsequent courses.   Title:   Battling the Data Avalanche - a Chemical Data Management Solution for the Start-up Company Presenter:   Antony Williams Date:   Sunday, March 13, 2005 @ 2:20 PM - 2:45 PM Location:   Convention Center - Room 33A Abstract #:   CINF 11 Abstract:   The pharmaceutical and chemical industries are well acquainted with the challenges of managing various forms of chemical data across an organization. These challenges are augmented when considering the plight of start-up companies, whose monetary and human resources are often severely compromised relative to the need to manage the volumes of chemical data they are generating. This talk will discuss the emergence of a novel database software system designed for standardizing and consolidating chemical information company-wide. The software integrates chemical structures with images, reaction diagrams, documents, and text in a manner that is customizable to the user, and thus is malleable to the specific data management needs of an organization. Databases that are built in this system are searchable by chemical structure, sub-structure, text, and other user-defined data fields. The databases can be distributed via thick client or shared across an organization via a web interface. Such databases are easily accessible by all beneficiaries in the company, and can be connected to commercial tools for physical property and spectroscopy prediction, systematic nomenclature generation, and analytical data management (for example, NMR, MS, IR, UV, HPLC, and GC).   Title:   Extracting Knowledge and Delivering Data: From the Analytical Laboratory to the Chemists Desktop Using Web-enabled Technologies Presenter:   Antony Williams Date:   Sunday, March 13, 2005 @ 4:35 PM - 5:00 PM Location:   Convention Center - Room 33A Abstract #:   CINF 16 Abstract:   Walk-up or open-access laboratories have dramatically impacted the ability for a small organization to support the analytical needs of its chemists. Commonly, skilled professionals assume the duty of laboratory manager as well as skilled technical consultant. As part of this responsibility one challenge is the distribution of data from the instruments to the chemist as well as providing enabling technologies to extract full-value from the data. Open-access laboratories are heterogeneous in nature requiring that data from a series of techniques can be distributed in a homogenizing fashion. The world-wide web has certainly assumed the primary mantle of electronic communication nowadays and would be assumed to be an ideal solution for analytical data dissemination as well as management and distribution of the extracted knowledge. This talk will detail technical approaches for the delivery of heterogeneous analytical data, including integrated chemical structures, to an organization.

TOP

This page was last updated 12 September 2007