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

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?”

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.”

How did you get interested in chemistry? “In 1952 my parents gave me a Gilbert JR Science Chemistry Set for my birthday.”

How did you get interested in chemistry?

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.”.

“What is your probable major?” Chemistry Placement Test data from St. Olaf College chemistry placement test (2001) involving 295 of 791 entering students

“What is your probable major?” 42 Graduating Chemistry Majors data from St. Olaf College chemistry placement test (2001) involving 295 of 791 entering students

to 2005 What happened? 13 chem grads 15 chem grads 14 chem grads.

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.

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.

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?.

NMR at St. Olaf – Early Days 1968: JeolCo 60 HL 1973: Varian 360L

NMR at St. Olaf – Moving Up high field high resolution superconducting allowed 2D experiments networked great for research 1989: Varian Unity 300.

The problem was… …it’s all about access.

NMR at St. Olaf shielded magnet automatic tuning and matching dual proton-broadband probe Z-gradient shims 120-position autosampler 2002: Redefining access.

NMR at St. Olaf 2002/2003: Summer Research Mike Purnell, Gregg Sydow, Stephanie Skladzien Bryan Anderson Jared Irwin It was a good challenge…

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

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

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.

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.

…and the new way…

A new twist: experimentation!

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)..

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

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.

two-year period - 8/03 - 5/ jobs submitted: 21% research; 79% course-related 2048 standard proton/800 other 2834 remote; 14 seated at instrument

this academic year - 9/04 - 5/ 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..

…just having an instrument in house …having lab assistants or profs run the NMR …being restricted to a few experiments per year Access is not… Redefining access

…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 Access is involvement… Redefining access

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? Access is being able to answer… Redefining access

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 Access is changing our way of thinking Redefining access

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. Access is changing our way of thinking Redefining access..