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Generating 3D Models Using NOESY/ROESY Data in ACD/Structure Elucidator

February 11, 2020

Generating 3D Models Using NOESY/ROESY Data in ACD/Structure Elucidator

Do you have an NMR dataset and are looking to resolve the 3D Structure? Then this webinar is right for you!

Identifying an unknown compound or verifying a synthesized product by interpretation of NMR spectra can be a daunting task. Employing tools to simplify your NMR analysis can resolve structures more quickly and accurately. For truly complex structures, ACD/Structure Elucidator allows for de novo structure elucidation by generating a complete set of the viable isomers that fit an experimental dataset.

Now with the next generation of CASE systems added to our Structure Elucidator, it is able to find the "best match" while considering stereochemistry.

In this 40 minute webinar you will learn:

  • How to use 1D and 2D NOESY/ROESY spectra to generate possible stereoisomers—their relative energies, concentrations, and distances—all calculated from a flat structure
  • How to elucidate the "best 3D structure" in agreement with your NMR data

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Dimitris Argyropoulos

Dimitris Argyropoulos, PhD (NMR Business Manager) obtained his PhD from the University of Athens, Greece. He joined ACD/Labs in 2015 where he has been working as an Application Scientist and an NMR Business Manager. Prior to joining ACD/Labs he worked at Varian (Agilent), UK as an NMR Applications Laboratory Manager.

Dr. Argyropoulos has extensive experience in structure determination and characterization of small molecules using NMR spectroscopy and MS, as well as NMR investigation of biomolecules and materials.


Yalda Liaghati Mobarhan

Yalda Liaghati Mobarhan, PhD (Marketing & Communications Specialist) obtained her PhD in Environmental Sciences from the University of Toronto. Her area of study focused on aquatic toxicity using in vivo NMR. She joined ACD/Labs in June, where she mainly oversees marketing and communications efforts for the NMR product lines.