Facilities and Instrumentation

The Department of Medicinal Chemistry is equiped with a wide variety of modern instrumentation and equipment for conducting research in the design and synthesis of new therapeutic agents. In addition to the equipment housed within the Department, students can gain access to additional instrumentation, such as higher field NMR spectrometers (500, 600, 700, and 800 MHz), high resolution mass spectrometers, and X-ray crystallographic equipment located in various Departments around the Rutgers campuses. A glassblowing, electronics, and machine shops are located within the Chemistry and Physics Departments, which are only a short walk from the School of Pharmacy.

Spectroscopy and Spectrometry

  • Bruker Avance 400 MHz NMR Spectrometer with BACS Automated 60 Sample Changer, Multinuclear Probe and Triple Resonance Probe
  • Hewlett-Packard Model 5972 Gas Chromatograph/Mass Spectrometer System
  • Shimadzu Model 2010 Liquid Chromatograph/Mass Spectrometer
  • Thermo Nicolet Avatar 360 FT-IR Spectrometer
  • Perkin Elmer Model 1600 FT-IR Spectrometer
  • Perkin Elmer Model 241 Multi-Wavelength Polarimeter
  • Hewlett-Packard Model 8451A Diode-Array UV/V02/12/2009 Spectrophotometer
  • Shimadzu Model PC1200 UV/Vis Spectrophotometer

Chromatography

  • Waters Associates HPLC Systems – several
  • Hewlett Packard Model 1090M HPLC Systems – several
  • Spectra Physics HPLC System
  • Varex Versa Prep Preparative HPLC System
  • Rainin Gradient HPLC System
  • Shimadzu HPLC System
  • Bioanalytical HPLC System
  • Electrochemical HPLC Detector
  • Hewlett Packard Diode-Array Detectors
  • Hewlett Packard Fluorescence Detectors
  • Kratos Model FS950 Fluorescence Detector
  • Radiomatic Model IC Flow-Thru Beta-Detector
  • IN/US Beta-Ram Flow-Thru Detector
  • Hewlett Packard Model 5890A GC – several
  • Hewlett Packard Model 5890A Series II GC – several
  • Perkin Elmer Model 3920B GC

Synthesis

  • Advanced ChemTech Model 90 Peptide Synthesizer
  • SmithSynthesizer High-Throughput Microwave Synthesis System
  • Parr Hydrogenation Apparatus
  • Polymetrics Model T-408 Ozone Generator
  • Parr Autoclave Reactor
  • Ace Photochemical Reactors
  • Thermolyne Type 21100 Tube Furnace for Flash Vacuum Pyrolysis
  • Harrison Research Model 8924 Chromatotrons – several
  • Cryocool Model CC-100II Immersion Cooler

Miscellaneous

  • Biocore 3000 Molecular Interaction Analyzer
  • Beckman Model L7-55 Ultracentrifuge
  • Beckman Model J2-21M Centrifuge
  • Beckman GPR Table Top Centrifuge
  • Beckman LS5 Liquid Scintillation Counter
  • Leitz Laborlux 11 POL Microscope
  • Dubnoff Shaking Incubators
  • Harris Low Temperature Freezers
  • Nuair Biological Safety Cabinet
  • Lab Care America CO2 Incubator, Model 7101-0

Computing

The computational chemistry facility of the Department of Medicinal Chemistry is equipped with a Silicon Graphics (SGI) OCTANE dual-processor UNIX workstation. The Molecular Operating Environment (MOE, Chemical Computing Group, Inc.) is available featuring MMFF94, AMBER89, AMBER94 and Metropolis Monte Carlo Docking simulation (MOE-Dock). Hybrid Monte-Carlo molecular dynamics is available in MOE. The facility has nine Dell OptiPlex workstations all loaded with Windows XP Professional, Microsoft Office 2007, ChemDraw Ultra 10.0, and all run PC Spartan06 (Wavefunction, Inc.) software package complete with routines for performing a vast array of molecular mechanics (Tripos Force Field & MMFF94), semi-empirical quantum chemical (MNDO, AM1 & PM3), ab initio (3-21G*, 6-31G*), and density functional (SVWN & BP) calculations. Gaussian 98 (Gaussian, Inc., Pittsburgh, PA) is also available. For presentation of graphics and illustration work, the facility is equipped with a 50″ plasma display, a Tektronics Phaser 740 color laser printer (1200 x 1200 dpi resolution), HP 2100TN b&w laser printer (1200 x 1200 dpi resolution), a Hewlett Packard Color Scanner, and a Polaroid ProPalette 7000 fully automated 35 mm color slide maker. In addition to these facilities students also have access to the numerous computer centers located throughout the Rutgers Campuses. Students and faculty with an account from the Rutgers University Computer Services can access the UNIX-based mainframe computers, internet 2, and high performance computing.