INSTRUMENTATION PLATFORMS
The
specialized items of equipment shown
below are housed within the Department of Medicinal Chemistry and are
readily available for departmental graduate students and post-doctoral
associates to utilize in the course of their research activities.
The Department of Medicinal Chemistry at the University of Mississippi
represents one of the most well equipped, state-of-the-art medicinal
chemistry departments in the USA. Although not exhaustive, below is a
list of some of the technology we
have at our disposal.
NMR Facilities (School of
Pharmacy shared resources)
- 600 MHz NMR
Spectrometer: Varian; 3mm inverse probe; variable temperature control
(vtc);
magic angle probe for the measurement of NMR data with micrograms of
sample; water suppression and solid state NMR.
- 500 MHz NMR
Spectrometer: Bruker Avance DRX; 3mm inverse probe; variable
temperature
control (vtc);
4mm inverse LC-NMR probe and a 3 mm dual probe.
- 400 MHz NMR
Spectrometer: Bruker Avance DRX; 3 mm dual probe, vtc..
- 400 MHz NMR
Spectrometer: Bruker Avance DRX with a shielded magnet; 3 mm inverse
probe, vtc.
- 400 MHz NMR
Spectrometer: Varian; 3 mm dual probe, vtc
Molecular Modeling Facilities
Suite 1 Consists of nine Silicon Graphics Workstations (four
INDYs, Four Indigo2 Impacts, and a Challenge), a MicroVAX II and
AT&T mini-mainframe computers.
Suite 2 contains (6) SGI Octane2 with 360 MHz MIPS
R12000A processors, 256MB of memory, a 9GB Ultra SCSI disk, 32MB of
graphics memory and 21" monitors. Software packages available
include:
Tripos Inc.: SYBYL/Base, CONCORD, Biopolymer, GeneFold,
Composer, ProTable, FlexX, CScore, Flexidock, CoMFA, CoMSIA.
Accelrys Inc.: InsightII, Builder, Discover, Homology, Affinity,
Modeler, LUDI, Biopolymer, Profiles-3D, Cerius2-QSAR, ADME.
Parallel Synthesis-Combinatorial Chemistry
 Argonaut® Trident Combinatorial
System
Equipped with Trident Processing Station, Trident
Workstation, Autosampler (Gilson 223), 4 Reaction Cassettes, and
Agitation-Thermal Unit for temperature control from –40 to 150 oC.
The Trident Library Synthesizer runs up to 192 reactions in parallel.
The Trident software controls the temperature, agitation,
reagent/solvent deliveries and product collection. The Trident
Workstation uses a manual interface to deliver reagents, while still
maintaining inert conditions, and performs parallel resin washing and
sample collection. The Trident Processing Station is a multi-purpose
liquid handler with a special interface to
the Trident Reaction Cassette, used to perform liquid, extraction's,
solid-phase extraction's, reverse filtration, dry solid loading to open
vessels, sampling of reaction vessel contents to vials, reformatting
(e.g. from
tubes to microplates), delivery of reagent/solvent to Reaction
Cassette,
draining/washing of resin in Reaction Cassette, transfer of reaction
vessel contents to vials, transfer of tube/vial contents to reaction
vessels, and addition of solvent to external vials.
Six (6) Argonaut Quest 210
Parallel Organic Synthesizers:
Equipped with 20 reaction vessels, automated solvent wash module, solid
phase extraction rack, and hydrogenation module. The Quest 210 handles
both solid-phase and solution-phase chemistry. These systems are ideal
for the synthesis of small focused libraries on solid-support,
chemistry development, exploratory reactions, and the resynthesis of
active compounds. This instrument handles up to 20 simultaneous
reactions in either 5 ml or 10 ml reaction vessels.
Four (4) Argonaut FirstMate Benchop Modules
These are the scaled-down versions of the Quest systems, and are
used routinely for larger scale solution chemistry.
HPLC-Mass
Spectrometry
 LC-MS
Systems
(1)
Waters Alliance HT LC/MS System consists
of:
Waters 2790 Separations Module, the Waters ZQ™ Mass Detector (Waters
996 Photodiode Array (PDA) Detector, and FractionLynx™ software. This
(2) Waters Alliance LC/MS Systems, consists of Waters ZQ Mass
Detector, Photodiode Array Detector, and Alliance HPLC system.
 HPLC
Systems
Five (5) Waters Alliance HPLC Systems: (UV, Diode Array,
Evaporative Light Scattering detectors).
Four (4) Waters
DeltaPrep 4000 series HPLC Systems: Equipped
with preparative capability – from hundreds of milligrams to grams per
run, a PrepLC Controller, solvent delivery unit, an integral injector
panel, a Rheodyne 7725I injector, and Waters 996 Photodiode Array or
Waters 2487 Dual Wavelength Absorbance Detector.
 High
Resolution Q-TOF (Quadropole-Time-of-Flight)
 Micromass Q-TOF micro Hybrid
Quadrupole/Orthogonal
High Resolution Time of Flight MS with Micromass capillary HPLC. ESI
and APCI (positive and negative
ion modes) including LockSpray source (right) and NanoFlow CapLC source
(left).
Biochemical analysis sofware suites include ProteinLynx, BioLynx, and
MetaboLynx.
Routine instrument for high-resolution analysis of small
molecules
or proteins. Nanoflow CapLC accessory performs microflow
capabilities
at nL/min flow rates.
Additional
Instrumentation
Polarimeter
Rudolph Autopol IV, a six-wavelength
polarimeter equipped with
stainless steel jacketed cells, for measuring optical rotations.
Volumes accomodated range from 1.0 mL to 0.05 mL.
Fourier Transform Infrared Spectrophotometer
Bruker Vector33 FTIR, with NIR and MID FTIR capabilities,
equipped with a fiber optics accessory for remote sensing, and an
HYPERION IRScope with ATR capabilities for solid-phase analysis of
chemically modified resins.
UV-VIS Spectrophotometer
Hewlett-Packard 8453 Diode-Array
Biochemical Analysis
Spectrophotometer equipped with 7-cell thermostatted multicell
transport accessory and dedicated water circulator. Biochemical
Analysis software suite allows for kinetic analysis and real-time
monitoring.
 Elemental
Analysis
Perkin-Elmer CHN/SO
Series II Analyzer
Elemenatal
analyzer equipped with a 60 sample
carosel for
performing high-throughput elemenatal analyses.
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