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January 31, 2007 © Protasis

CapNMR Confirms New Molecules

Featured Abstract
Protasis Automates Medicinal Chemistry Departments with One-Minute NMR
 
Savoy, IL - January 31, 2007
 
Protasis announces the introduction of an integrated High Throughput Structure Confirmation (HTSC) system to automate Medicinal Chemistry departments.  This multi-user, multi-method, multi-solvent system uses Protasis high sensitivity CapNMR probes, the popular CTC/LEAP liquid handler and Protasis One-Minute NMR software to acquire and process hundreds of NMR spectra each day in support of the dozens of synthesis chemists in typical 'MedChem' departments that make new molecular libraries for drug discovery.  The Protasis Discovery HTSC-NMR Automation system allows synthesis chemists to submit samples efficiently in standard microplates and/or vials, rapidly acquire high quality spectra using only miniscule amounts of sample and effectively process this data using the latest ACD/Labs Structure Verification algorithms and viewers to provide answers to the fundamental questions of "Did I Make What I Thought I Made?" and "How Much Do I have?"
 
The One-Minute NMRTM automation platform (Protasis Corporation, Marlboro, MA, www.protasis.com) allows multi-user sample submission from any web browser, tailored 1H and 2D NMR experiments, fast sample loading, script support for Varian and Bruker spectrometers, and seamless integration with ACD/Labs Structure Verification software.  One-Minute NMR maximizes sample throughput by acquiring fast 1D spectra on each sample and adding HSQC experiments only when needed to improve match scores.  When all experiments are complete, a concise  e-mail report is sent to each user with HTML links to their spectra for detailed viewing.  One-Minute NMR includes many convenience features like automated Probe Clean, Sample List Importing, Sample Return, Night Samples, Priority Samples, Macros, and Rapid Solvent Switching.  By drastically reducing the time it takes to get answers from existing NMR systems, at a reasonable price, One-Minute NMR automation is a "must have" for Medicinal Chemistry departments. 
 
The Protasis Structure Confirmation System is the highest performing system available for active departments that are building and certifying molecular libraries. Bob Albrecht, Protasis Director of Applications Development, summed up, "Use mass spectrometry to provide molecular weight. But use One-Minute NMR to provide high-certainty structure confirmation, %yield and purity so that you can fully characterize your valuable molecules."

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Identification of natural products using
HPLC-SPE combined with CapNMR
by M. Lambert, J.-L. Wolfender, S. B. Christensen,
K. Hoxtettmann, J. W. Jaroszewski,
Anal. Chem., 79 (2), 727 -735, 2007
  
Two major development areas in HPLC-NMR hyphenation are postcolumn solid-phase extraction (HPLC-SPE-NMR) and capillary separations with NMR detection by means of solenoidal microcoils (CapNMR). These two techniques were combined off-line into HPLC-SPE-CapNMR, which combines the advantage of high loadability of normal-bore HPLC columns with high mass sensitivity of capillary NMR probes with an active volume of 1.5uL. The technique was used for rapid identification of complex sesquiterpene lactones and esterified phenylpropanoids present in an essentially crude plant extract (toluene fraction of an ethanolic extract of Thapsia garganica fruits). Elution profiles of 10 × 1 mm i.d. SPE cartridges filled with poly(divinylbenzene) resin were found to be only marginally broader than those observed upon direct injection of 6uL samples into the probe. Thus, the technique focuses analytes emerging in the HPLC elution bands of 0.5-1 mL into volumes of ~10uL, compatible with the CapNMR probe. Using this technique, nine natural products present in the plant extract in amounts varying from 0.1 to 20% were identified by means of 1D and 2D NMR spectra, supported by parallel HPLC-ESIMS measurements. Therefore, HPLC-SPE-CapNMR should be regarded as an attractive alternative to other applications of CapNMR for mixture analysis.

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U-Buffalo Metabonomics Day
Report from the Meeting on
January 8th in Buffalo, NY
Build Your Own Seminar
We want to visit you in 2007 and show how MicroPlate NMR Automation can boost productivity in your lab!
                           
 
                   See all the Highlights at our next
                  e-Seminar on Tuesday, March 6th!
 Please see the topics list at: http://www.protasis.com/Seminars-2007/

 

  
 Choose From These
 Seminar Categories:
  • Natural Products
  • Medicinal Chemistry
  • Structure Verification
  • Trace Impurities
 
 
  • Dual Flowcell Probes
  • New Citation NMR
  • Microplate Automation
  • Metabonomics
The Metabonomics Day organized by Thomas Szyperski at SUNY-Buffalo was a huge success with no less than twenty-two talks in a non-stop, single-session day, featuring the huge potential for NMR in biomarkers research.  Tim Peck (Protasis), Frank Schroeder (Cornell) and Matt Gronquist (SUNY-Fredonia) spoke about CapNMR.  Plenary speaker, Jeremy Nicholson (Imperial), was there to explain how ‘Reagentless Diagnostics’ using NMR might improve the quality of human health in the near future.  Many health science workers from Roswell Park Cancer Institute added application context. 
 
Practical talks continued in the afternoon workshop where Protasis showed a video and set up a live demo of the LEAP HTC liquid handler and One-Minute NMR software. 
 
To hear more about what happened, request our January Letter.  We'll mail it right out to you with new literature.
We would like to visit you in 2007 and bring the excitement of Capillary NMR home to your laboratory and your colleagues.  We’d like to see your lab and show you how we can boost your productivity.  And we’ll make it simple.  Just look over the list of seminars and pick three topics that interest you.  FAX it back and we’ll let you know when we’re in your city and can deliver a tailored seminar to your group.  Or fill out the request on-line at www.protasis.com/Seminars-2007/.  What better way to learn how you can benefit from the latest trends in NMR automation that let you get improved sensitivity and run more samples on your existing NMR instruments.
 
      Request January Letter and Info Package
 
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    View Full Announcement for the Next e-Seminar
Contact David Strand at 508-481-4163 or
by email at d.strand@protasis for questions or additional details.

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