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Departmental Instrumentation |
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Molecular Modeling Facility
Linux network with six 4-processor and two 8-processor boxes running
Gaussian, GAMESS, AMBER, CHARMM, PQS and other quantum chemistry,
statistical chemistry and graphics codes. Additionally, there are
Silicon Graphics computers running MSI molecules for computational
chemistry, surface science, NMR and other applications. These include
O2s and one Octane.
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EPR
Our Electron Paramagnetic Resonance (EPR) facility was upgraded in Fall
2000. The Bruker EMX EPR spectrometer (shown above) is a state of the
art computer interfaced instrument, which is relatively simple to
operate. For low-temperature measurements, the probe can be cooled with
an Oxford Cyrostat with liquid nitrogen or liquid helium. Students
performing research on transition metal complexes with unpaired
electrons or organic radicals find this tool invaluable in their work.
For more information on the Bruker EMX or for an introduction to EPR,
visit the EPR Division of Bruker.
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NMR
The Department of Chemistry's nuclear magnetic resonance (NMR) facility
has recently taken delivery of a new state-of-the-art 3 channel
UnityInova 500 MHz spectrometer complete with pulse field gradient
capability, and upgraded its Bruker 500 MHz AMX system, pushing the NMR
facility into the forefront of NMR research in the 21st century. In
addition it houses a 90 MHz Fourier transform instrument dedicated to
teaching and student use. Offline processing capabilities exist on
several different computers and processing programs and will be tied in
with the newly created departmental computing facility. The facility is
maintained by Dr. Neal Stolowich and welcomes collaborations from within
the University community as well as industrial partners in the
Louisville area. For more information, look for our upcoming NMR home
page or email Dr. Stolowich.
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MASS SPECTROMETRY
MALDI-TOF
Matrix-Assisted Laser Desorption Ionization-Time-of-Flight Mass
Spectrometer. The department has acquired a PE Biosystems Voyager DE-Pro
instrument for measuring molecular weights and obtaining other
structural information.
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Fourier Transform-Ion Cyclotron Resonance-Mass Spectrometer (FT-ICR-MS)
Thermo LTQ-FT, which is an ion trap MS interfaced to
a FT-ICR-MS with CID, ECD, and IRMPD dissociation modes, with sources such as
ESI, nanospray (including the Nanomate) and Mass Tech
AP-MALDI-PDF
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Thermo X-Series Collision-Cell ICP-MS
(Inductively Coupled Plasma Mass Spectrometer) with New Wave 213 nm
Laser Ablation System and Microsampler
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VARIAN
Varian 800 MHz NMR
An NMR spectrometer operating at 18.8T (800 MHz for protons) was
funded through a $2.3M NSF/EPSCoR grant (P.I. Professor Richard
Wittebort) and was installed in 2003 in the Molecular Imaging Research
Center at the Brown Cancer Center. This system is used for the study of
larger proteins and complexes using the TROSY technique. It is also
equipped for solid-state (CP-MAS) NMR including a 32 mm NCN MAS probe.
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X-RAY
Macromolecular X-Ray Diffraction
Our macromolecular x-ray diffraction instrumentation consists of a Rigaku
RU-H3R rotating anode x-ray generator with an Osmic confocal optic system, a
MarResearch MAR345 imaging plate area detector on a MAR dtb (desk-top beamline)
base table, and a CryoIndustries cryogenic system. The detector is controlled by
a Linux PC. Support instrumentation includes an Olympus stereomicroscope with a
video camera and two Precision incubators.
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Bruker APEX X-Ray Diffractometer
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