Research Instrumentation

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
LDH image

64 - core Infiniband Scyld Beowulf linux cluster performing at 450 GFlops, with dual-core, dual processor Opteron 285 CPU's plus head node and multi-terabyte network-accessible storage device
8 - Microway WhisperStation 2.5 GHz Xeon 8-core workstations
4 - Microway WhisperStation Intel Xeon L5520 Nehalem 2.26 GHz 16-core workstations
3 - Linux workstations
14 - Silicon Graphics Octane workstations
Molecular Modeling Software - Schrodinger, Spartan, Gold, MOE, Tripos and Accelrys software suites
Campus licenses for CambridgeSoft ChemBioOffice, Gaussian 03, Gaussian 09
14 - Silicon Graphics Octane workstations with R12000 dual processor, 512 MB RAM

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.