JCE Software, SP11: Proton NMR Basics

Proton NMR Basics

Carolyn S. Judd
Houston Community College System, Houston, TX 77270-7849
Joel D. Morrisett, Mohan V. Chari, and Jeffrey L. Browning
Baylor College of Medicine, Houston TX 77030

Note:
Order Item Number: SP-11
Ordering Information

Proton NMR Basics is a multimedia tutor designed to shorten the time for student mastery of NMR spectral interpretation. On a CD-ROM that can be used by both IBM-compatible and Macintosh computers, students can explore the theory, the instrument, and the spectral analysis of compounds by NMR spectroscopy. The actual operation of the instrument is shown through digital video, allowing students without access to an NMR spectrometer to experience the procedure from sample preparation to spectral interpretation. Students with access to a spectrometer can use this program as an introduction to the basics before using the instrument.
The idea for Proton NMR Basics was born from the frustration of teaching this complex topic at a two-year college. The tight time schedule, coupled with the lack of a spectrometer, made teaching NMR similar to teaching driver's education to a roomful of students who had never seen a car! It was believed that students who could actually see the instrument and procedures would have more interest and a basis for understanding, alleviating some of the frustration.
This program is a collaboration of professionals: a content team of instructors and researchers from two different institutions, and a multimedia development team.

Figure 1. The main menu of Proton NMR Basics introduces the program authors and the areas in which they work. Each author narrates a section reached by clicking on his or her photograph.
Proton NMR Basics is divided into four sections: Introduction, Instrument Room, Classroom, and Laboratory. The Introduction, by Carolyn S. Judd, who developed the application in conjunction with Houston Community College System (HCCS) and Baylor College of Medicine (BCM), addresses the question, "What is the use of NMR?"

Figure 2. In the Introduction, Carolyn Judd demonstrates the usefulness of NMR spectroscopy by showing how it could be used to identify an unknown substance.
The Instrument Room presents Dr. Mohan V. Chari, BCM, loading a sample and demonstrating the NMR spectrometer. Graphics and animation are used to support his explanation, as well as to present the theory of proton NMR spectroscopy. A glossary is available from an onscreen button and through hypertext links in the theory section.

Figure 3. This screen shows the major components of the NMR spectrometer.
In the Classroom, Jeffrey L. Browning, BCM researcher and adjunct faculty for HCCS, explains the analyses of six simple spectra (1). The student is told and shown how to visually inspect the spectrum displayed on the screen for chemical shift, splitting patterns, and relative size of peaks. Voice-over audio is reinforced by summary text. Atoms responsible for each peak are highlighted in a 3-D molecular model simultaneously with the peak. Easy repetition of individual peak analysis is possible. The student can rotate the 3-D model, inspecting it for symmetry. Students are referred to commercially available software for further practice in the interpretation of NMR spectra (2).
The Laboratory introduces the student to research applications of NMR spectroscopy to analyze complex molecules. Dr. Joel D. Morrisett, BCM researcher, relates a classic proton NMR study of the active site of ribonuclease. The section closes with a brief discussion of current NMR research methods.

Figure 4. In the Classroom, NMR spectra of several molecules are analyzed. The peaks on the spectrum are matched with corresponding atoms on a 3-dimensional molecular model.
Hardware and Software Requirements
Macintosh requirements:

An Apple Macintosh computer with 68030 or higher microprocessor or a Power Macintosh; a 68040 or Power Macintosh is recommended;
At least 8 MB;
256 color graphics;
A color monitor capable of displaying 640 x 480 pixel resolution;
A double speed or faster CD-ROM drive (such as the Apple CD300i);
System 7.0 or higher.
Windows requirements:

A Microsoft Windows compatible computer with an 80486/33 or higher microprocessor; a Pentium microprocessor is recommended;
At least 8 MB;
Super VGA graphics with 256 colors;
A sound card for 8 bit (22 KHz) or better sound;
A color monitor capable of displaying 640 x 480 pixel resolution;
A double speed or faster CD-ROM drive with associated driver software;
Microsoft Windows version 3.1 or later.
Apple Computer's QuickTime software required for both platforms is included on the CD.
Acknowledgement
The authors acknowledge their multimedia development team: S. Sydney Elliott, development coordinator; Alpana Gupta Arora, programmer; Sophie Diaz-Fonseca, graphics artist; Anabelle S. Parker, instructional designer; Don W. White, audio/video editor; and Todd W. Jorns, media coordinator. Support was through a grant from the Houston Community College System Office of Instructional Computing, headed by William H. Pritchard. The staff of JCE: Software offered valuable input into the final project.
Literature Cited

NMR spectra courtesy of Paul F. Schatz, University of Wisconsin-Madison.
For example: SpectraDeck and The Schatz Index by Paul F. Schatz, Falcon Software Inc.;
Proton Nuclear Magnetic Resonance Spectrum Simulator by Kersey A. Black, J. Chem. Educ.: Software, 1990, IIC, (1).

Availability
Available: Now

First Published: November 1995
Citation: Judd, C. Sweeney; Morrisett, J. D.; Chari, M. V. ; Browning, J. L. Proton NMR Basics J. Chem. Educ. Software SP11
Keywords: Lecture Aid; Computer Room; General; Analytical; Organic; Simulation; NMR; Identify unknowns

News | Issues | CD-ROM / Video | Find It! | Technical Support | For Authors

JCE Online | Journal | Software | Internet | Happenings | About JCE | Contact JCE

Last Updated: August 17, 2001
Created: December 3, 1996 Created by: J. L. Holmes
Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.



Proton NMR Basics
Carolyn S. Judd Houston Community College System, Houston, TX 77270-7849 Joel D. Morrisett, Mohan V. Chari, and Jeffrey L. Browning Baylor College of Medicine, Houston TX 77030

Note:	Order Item Number: SP-11 Ordering Information

Proton NMR Basics is a multimedia tutor designed to shorten the time for student mastery of NMR spectral interpretation. On a CD-ROM that can be used by both IBM-compatible and Macintosh computers, students can explore the theory, the instrument, and the spectral analysis of compounds by NMR spectroscopy. The actual operation of the instrument is shown through digital video, allowing students without access to an NMR spectrometer to experience the procedure from sample preparation to spectral interpretation. Students with access to a spectrometer can use this program as an introduction to the basics before using the instrument. The idea for Proton NMR Basics was born from the frustration of teaching this complex topic at a two-year college. The tight time schedule, coupled with the lack of a spectrometer, made teaching NMR similar to teaching driver's education to a roomful of students who had never seen a car! It was believed that students who could actually see the instrument and procedures would have more interest and a basis for understanding, alleviating some of the frustration. This program is a collaboration of professionals: a content team of instructors and researchers from two different institutions, and a multimedia development team. `Figure 1. The main menu of Proton NMR Basics introduces the program authors and the areas in which they work. Each author narrates a section reached by clicking on his or her photograph.` Proton NMR Basics is divided into four sections: Introduction, Instrument Room, Classroom, and Laboratory. The Introduction, by Carolyn S. Judd, who developed the application in conjunction with Houston Community College System (HCCS) and Baylor College of Medicine (BCM), addresses the question, "What is the use of NMR?" `Figure 2. In the Introduction, Carolyn Judd demonstrates the usefulness of NMR spectroscopy by showing how it could be used to identify an unknown substance.` The Instrument Room presents Dr. Mohan V. Chari, BCM, loading a sample and demonstrating the NMR spectrometer. Graphics and animation are used to support his explanation, as well as to present the theory of proton NMR spectroscopy. A glossary is available from an onscreen button and through hypertext links in the theory section. `Figure 3. This screen shows the major components of the NMR spectrometer.` In the Classroom, Jeffrey L. Browning, BCM researcher and adjunct faculty for HCCS, explains the analyses of six simple spectra (1). The student is told and shown how to visually inspect the spectrum displayed on the screen for chemical shift, splitting patterns, and relative size of peaks. Voice-over audio is reinforced by summary text. Atoms responsible for each peak are highlighted in a 3-D molecular model simultaneously with the peak. Easy repetition of individual peak analysis is possible. The student can rotate the 3-D model, inspecting it for symmetry. Students are referred to commercially available software for further practice in the interpretation of NMR spectra (2). The Laboratory introduces the student to research applications of NMR spectroscopy to analyze complex molecules. Dr. Joel D. Morrisett, BCM researcher, relates a classic proton NMR study of the active site of ribonuclease. The section closes with a brief discussion of current NMR research methods. `Figure 4. In the Classroom, NMR spectra of several molecules are analyzed. The peaks on the spectrum are matched with corresponding atoms on a 3-dimensional molecular model.` Hardware and Software Requirements Macintosh requirements: An Apple Macintosh computer with 68030 or higher microprocessor or a Power Macintosh; a 68040 or Power Macintosh is recommended; At least 8 MB; 256 color graphics; A color monitor capable of displaying 640 x 480 pixel resolution; A double speed or faster CD-ROM drive (such as the Apple CD300i); System 7.0 or higher. Windows requirements: A Microsoft Windows compatible computer with an 80486/33 or higher microprocessor; a Pentium microprocessor is recommended; At least 8 MB; Super VGA graphics with 256 colors; A sound card for 8 bit (22 KHz) or better sound; A color monitor capable of displaying 640 x 480 pixel resolution; A double speed or faster CD-ROM drive with associated driver software; Microsoft Windows version 3.1 or later. Apple Computer's QuickTime software required for both platforms is included on the CD. Acknowledgement The authors acknowledge their multimedia development team: S. Sydney Elliott, development coordinator; Alpana Gupta Arora, programmer; Sophie Diaz-Fonseca, graphics artist; Anabelle S. Parker, instructional designer; Don W. White, audio/video editor; and Todd W. Jorns, media coordinator. Support was through a grant from the Houston Community College System Office of Instructional Computing, headed by William H. Pritchard. The staff of JCE: Software offered valuable input into the final project. Literature Cited NMR spectra courtesy of Paul F. Schatz, University of Wisconsin-Madison. For example: SpectraDeck and The Schatz Index by Paul F. Schatz, Falcon Software Inc.; Proton Nuclear Magnetic Resonance Spectrum Simulator by Kersey A. Black, J. Chem. Educ.: Software, 1990, IIC, (1). Availability Available: Now


News \| Issues \| CD-ROM / Video \| Find It! \| Technical Support \| For Authors
JCE Online \| Journal \| Software \| Internet \| Happenings \| About JCE \| Contact JCE

Last Updated: August 17, 2001 Created: December 3, 1996	Created by: J. L. Holmes Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.