Using ACD/Labs NMR Prediction Software to Teach Thousands in Texas
Toronto, ON, Canada, and Austin, TX, United States, June 2004 -
Since 2000-2001, Dr. Conrad Fjetland, an organic chemistry lecturer in a Texas area university, has used 13C NMR prediction software from Advanced Chemistry Development, Inc. (ACD/Labs), ACD/CNMR Predictor, to help teach NMR interpretation to over 5000 students.
Used in both first and second year organic chemistry courses, students are given documents containing chemical compounds with experimentally obtained 13C NMR spectra and asked to assign the spectra using ACD/CNMR Predictor as an aid. "The hands-on, personal nature of this exercise greatly helps to engage the students in the assignment," says Dr. Fjetland. Instead of him standing in front of the students with static overheads, students can sit down in front of a PC, draw a chemical structure using the included ACD/ChemSketch chemical structure drawing application, and then click the "CNMR Spectrum" button to obtain a full predicted spectrum for their compound with a chemical shift table. By moving their mouse over entries in the chemical shift table, highlighting appears on the corresponding peak in the spectrum, as well as carbon atoms on the structure, allowing students to instantly see what carbon's are associated with which peaks.
For many students this is their first exposure to any kind of chemistry related software, and Conrad feels that the chemically intelligent, easy-to-use interface of the software helps to reduce the learning curve significantly. Most students have the software up and running in no time.
ACD/CNMR Predictor is one of a host of NMR chemical shift prediction applications ACD/Labs develops (1H, 2D, 15N, 19F, 31P). Shipped with ACD/Labs' award winning chemical structure drawing software, ACD/ChemSketch, ACD/CNMR is considered to be the industry standard in 13C NMR shift prediction. Relying on an internal database of over 1.8 million experimental chemical shifts ACD/CNMR Predictor can be enhanced further by training the software with the users own compounds and chemical shifts.
About Advanced Chemistry Development
Advanced Chemistry Development, Inc., (ACD/Labs) is a chemistry software company offering solutions that truly integrate chemical structures with analytical chemistry information to produce ChemAnalytics™. ACD/Labs creates innovative software packages that aid chemical research scientists worldwide with spectroscopic validation of structures, elucidation of unknown substances, chromatographic separation, medicinal chemistry, preformulation of novel drug agents, systematic nomenclature generation, and chemical patenting and publication. Combined, ACD/Labs' solutions create an analytical informatics system that provides dramatic feed-forward effects on the chemical and pharmaceutical research process. Founded in 1993, and headquartered in Toronto, Canada, ACD/Labs employs a team of over 100 dedicated individuals whose continual efforts carry ACD/Labs' innovative technologies into pharmaceutical, biotech, chemical, and materials companies throughout the world. Information about Advanced Chemistry Development and its products can be found at www.acdlabs.com.
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