NMR Facility 1996 Annual Report

NMR Facility
Department of Chemistry
Indiana University

1996 Graph Galleries

Introduction

The NMR Facility is a service and research laboratory operated by and for the Department of Chemistry at Indiana University. The laboratory performs and assists in magnetic resonance spectroscopy which furthers the research goals of departmental faculty, staff, and students. The following report summarizes the service and research activities of the NMR Facility during 1996.

Summary of Facility Services

16 (44%) of 36 tenured or tenure-track faculty in the Chemistry Department direct research programs which use the NMR Facility. 133 (58%) of approximately 231 graduate students, postdoctoral fellows, and research associates in the Chemistry Department use NMR Facility resources. Since some users are trained to use more than one spectrometer, the sum of users trained on each spectrometer is 305, 261 of whom were trained in 1996. This training total was particularly high due to the extensive upgrade of NMR Facility instrumentation, which required the retraining of many NMR Facility Users unfamiliar with the new equipment. The Graph Galleries summarize the population of NMR Facility spectrometer users in 1996.

The NMR Facility is open 24 hours per day and 365 days per year for collaborative or independent use by trained research chemists. The Graph Galleries summarize the billed usage of each spectrometer in 1996.

Summary of Research Activities

Most NMR experiments performed by the NMR Facility Staff for researchers are considered routine. These experiments are classified as a "service", since the researcher is taught how to independently perform the experiment (as mandated by NMR Facility policy). A variety of non-routine research projects requiring collaboration beyond routine service involved multi-dimensional experiments and overvation of non-routine nuclei.

Facility Developments

Spectrometer Improvements:

The NMR Facility instrumentation was extensively upgraded in 1996:

500 MHz Varian Inova spectrometer console	500 Mhz Bruker AM spectrometer console
Z-axis Pulsed Field Gradients	no PFG present
third radio frequency channel	no third channel
2 Varian inverse probes	1 Bruker inverse probe
Varian broadband probe	Bruker broadband probe
FTS VT unit	none
Oxford helium indicator	Bruker helium indicator
Sun host workstation	Aspect host computer
Sun data processing workstation	AM data processing station
CDROM recorder & CDROM reader	none
External Temperature Sensor	none
Uninterruptable power supply	none

400 MHz Varian Inova spectrometer console	360 Mhz Nicolet NT-360 spectrometer console
9.4T Oxford magnet	8.46T Oxford magnet
third radio frequency channel	no third channel
Varian inverse probe	none
Varian broadband probe	3 broadband probes
FTS VT unit	none
Oxford helium indicator	Nicolet helium indicator
Sun host workstation	Nicolet 1180 host computer
Sun data processing workstation	none
CDROM drive	hard disk platters
HP Laser Jet	Nicolet plotter

300 MHz Varian Gemini2000 spectrometer console	300 MHz Varian XL spectrometer console
Varian quad nucleus probe	none
FTS VT unit	none
Sun host workstation	XL console computer
Sun data processing workstation	none
CDROM drive	Varian floppy drive
HP Laser Jet	Zeta plotter

Laboratory Improvements

The computerized log-in system was modified to prevent users from using spectrometers and datastations without recording their usage.
Accounting reports for all research groups have been created and distributed each month.
Software was installed for spectral simulation (gNMR), calculating chemical shifts (ChemWindows C13 module), and shimming simulation (SAM) for training and instruction.
The first multiple-platform (DOS, Windows, Mac, & UNIX) CD recording system in the Department of Chemistry was established in the NMR Facility.
All archived data was transferred to CDROM for fast archival access.
NMR Facility Staff computing resources were expanded from 1 PC (with Windows 3.1) to 3 PCs (with Windows NT).
The NMR Facility web site was established.
2 NMR Workshops were held (9/23-9/27 & 11/13-11/15) to train general users to use advanced NMR techniques.

Continuing Projects

A computerized scheduling system using Microsoft Schedule+ will be implemented in the NMR laboratory. Spectrometer scheduling will then be available from Windows Exchange clients on campus; availability will be expanded to NMR Facility Users with web browsers.
The development of non-routine 2D NMR experiments and spectrometer automation will continue.
The NMR Facility User's Guide will be available from the NMR Facility web site
Graphics output will be expanded to include additional printing options and direct incorporation into manuscripts for hardcopy and internet publications.
The following spectrometer equipment will be installed:
- 500 MHz triple-axis pulsed field gradinet module & probe
- 400 MHz 10mm Bradley low gamma probe
- 400 MHz Nalorac Four-Nuclei+ probe
- FTS VT unit for VXR400 spectrometer

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Send comments to: chemnmr@indiana.edu

Last updated: Dec 29, 1997
URL: http://nmr.chem.indiana.edu/pubs/96_annual_report/index.html
Copyright 1997, The Trustees of Indiana University

NMR Facility Department of Chemistry Indiana University