247 Remote Access to NMR A Paradigm Shift

24/7 Remote Access to NMR: A Paradigm Shift in the Undergraduate Organic Laboratory Robert M. Hanson St. Olaf College, Northfield, MN http: //www. stolaf. edu/people/hansonr/nmr/24 -7 88 th Canadian Chemistry Conference Saskatoon, Saskatchewan, May 31, 2005 www. stolaf. edu/people/hansonr/nmr/24 -7

How did you get interested in chemistry? “My father tells me that about as soon as I could talk I began asking the dreaded question WHY? ” www. stolaf. edu/people/hansonr/nmr/24 -7

How did you get interested in chemistry? “Legos were my favorite toy. I think on some level my brain responded to building molecules from atoms in the same way as it did to building cars and houses from little Danish blocks of plastic. ” www. stolaf. edu/people/hansonr/nmr/24 -7

How did you get interested in chemistry? “In 1952 my parents gave me a Gilbert JR Science Chemistry Set for my birthday. ” www. stolaf. edu/people/hansonr/nmr/24 -7

How did you get interested in chemistry? www. stolaf. edu/people/hansonr/nmr/24 -7

How did you get interested in chemistry? “I asked my teachers for advice. . Do science, they told me, You'll enjoy it, then you can go to University, do science, and have a great time. And GET A JOB. ”. www. stolaf. edu/people/hansonr/nmr/24 -7

“What is your probable major? ” Chemistry Placement Test - 2001 data from St. Olaf College chemistry placement test (2001) involving 295 of 791 entering students www. stolaf. edu/people/hansonr/nmr/24 -7

“What is your probable major? ” 42 Graduating Chemistry Majors - 2005 data from St. Olaf College chemistry placement test (2001) involving 295 of 791 entering students www. stolaf. edu/people/hansonr/nmr/24 -7

2001 to 2005 What happened? 13 chem grads 14 chem grads 15 chem grads . www. stolaf. edu/people/hansonr/nmr/24 -7

My role, as I see it: • to challenge young minds • to help students develop a meaningful and realistic world view • to involve students in life-changing experiences • to help students find their true calling in life . www. stolaf. edu/people/hansonr/nmr/24 -7

What’s this got to do with NMR? • NMR answers real questions real chemists ask in real time. • NMR spectra are information rich. • NMR technology allows for experimental variation. • NMR analysis is accessible to the sophomore mind. www. stolaf. edu/people/hansonr/nmr/24 -7

Our questions back in 2000: • Could we use NMR spectroscopy to enhance student experiences in relation to scientific experimentation? • What would it take to have real, widespread access to the richness of the NMR experiment? . www. stolaf. edu/people/hansonr/nmr/24 -7

NMR at St. Olaf – Early Days 1968: Jeol. Co 60 HL 1973: Varian 360 L www. stolaf. edu/people/hansonr/nmr/24 -7

NMR at St. Olaf – Moving Up 1989: Varian Unity 300 • • high field high resolution superconducting allowed 2 D experiments • networked • great for research. www. stolaf. edu/people/hansonr/nmr/24 -7

The problem was… …it’s all about access. www. stolaf. edu/people/hansonr/nmr/24 -7

NMR at St. Olaf 2002: Redefining access • shielded magnet • automatic tuning and matching dual proton-broadband probe • Z-gradient shims • 120 -position autosampler . www. stolaf. edu/people/hansonr/nmr/24 -7

NMR at St. Olaf 2002/2003: Summer Research Mike Purnell, Gregg Sydow, Stephanie Skladzien Bryan Anderson It was a good challenge… Jared Irwin www. stolaf. edu/people/hansonr/nmr/24 -7

Challenges overcome • How to make a system immediately usable by absolute novices • How to design a system that works with teams of students rather than individual users • How to verify individuals in a team environment without setting up a whole new independent user database • How to manage a user system that changes every semester www. stolaf. edu/people/hansonr/nmr/24 -7

Challenges overcome • How to sequence the jobs in a fair manner • How to enable privileges like setting power or number of scans within specific parameter ranges • How to tie permissions to experiments, not people • How to deliver high quality spectra over the web and yet allow some data manipulation www. stolaf. edu/people/hansonr/nmr/24 -7

Routine Operation • Students in Synthesis Laboratory are assigned autosampler positions at the beginning of the semester. • At any time, students may insert a sample and run an experiment if the instrument is available. www. stolaf. edu/people/hansonr/nmr/24 -7

Routine Operation Once the sample is in the autosampler, the student may log in to the system from anywhere on campus anytime day or night using Netscape or Internet Explorer, set up an experiment, run it, analyze the data (integration, zoom, but not phasing), and print the spectrum. www. stolaf. edu/people/hansonr/nmr/24 -7

…and the new way… www. stolaf. edu/people/hansonr/nmr/24 -7

A new twist: experimentation! www. stolaf. edu/people/hansonr/nmr/24 -7

Student Privileges • Students are free to experiment on their own, within limits. • Students in advanced courses have more direct contact with the instrument, and have a higher level of access to experiments. • Authorized students doing research may have full instrument access (but rarely request it). . www. stolaf. edu/people/hansonr/nmr/24 -7

24/7 Advantages • Students: – opportunity to experiment – better integration of class/lab experiences • Lab Assistants: – more effective use of assistants as lab assistants – more interaction with students in and out of lab www. stolaf. edu/people/hansonr/nmr/24 -7

24/7 Advantages • Faculty: – more time for teaching during lab rather than playing the technician role – opportunity for educational research • Instrumentation: – more efficient use of the spectrometer – better visibility on and off campus. www. stolaf. edu/people/hansonr/nmr/24 -7

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• two-year period - 8/03 - 5/05 • 2848 jobs submitted: • 21% research; 79% course-related • 2048 standard proton/800 other • 2834 remote; 14 seated at instrument www. stolaf. edu/people/hansonr/nmr/24 -7

• this academic year - 9/04 - 5/05 • 912 jobs submitted • 5% research; 95% course-related • 742 standard proton/170 other • 911 remote; 1 seated at instrument This year, that use would represent approximately 228 hours (6 solid weeks) of seat time (based on 15 minutes/sample) at a single-seat instrument. . www. stolaf. edu/people/hansonr/nmr/24 -7

Redefining access Access is not… • …just having an instrument in house • …having lab assistants or profs run the NMR • …being restricted to a few experiments per year www. stolaf. edu/people/hansonr/nmr/24 -7

Redefining access Access is involvement… • …deciding what experiment to run and making choices • …getting the answer the question you need to ask when you need it • …being able to go back and get more data when that is needed www. stolaf. edu/people/hansonr/nmr/24 -7

Redefining access Access is being able to answer… • How come I didn’t get any product? • Why does my product have such a low melting point? • What does 120% yield mean? • What is this stuff? www. stolaf. edu/people/hansonr/nmr/24 -7

Redefining access Access is changing our way of thinking • No need to wait until NMR is introduced in class • More natural “as needed” introduction to NMR spectroscopy and structural analysis • Students take responsibility for finding answers www. stolaf. edu/people/hansonr/nmr/24 -7

Redefining access Access is changing our way of thinking The most interesting aspect has been to see how the whole use of NMR spectroscopy in the organic lab has changed to much more closely approximate actual research usage. . . www. stolaf. edu/people/hansonr/nmr/24 -7

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