ACD Labs Logo
MENU

ENC

March 29-31, 2021

Related Materials

Related presentations, posters, and scientific talks from this event have been posted here for your reference. Please click the associated link to download.

Evaluation of the Benefit and Informing Capability of 2D NMR Experiments for Structure Elucidation Using CASE Software, D. Argyropoulos and M. Elyashberg
Download

Exploring Modern Technologies for NMR Processing Software, Y. Liaghati Mobarhan, D. Argyropoulos, R. Pol, E. Vodopyanov, S. Golotvin and V. Mikhalenko
Download

ENC 2021 is going virtual and we look forward to seeing you online! Visit our featured vendor page at ENC, and check out our posters, to get information on how our variety of NMR tools can help you.

ACD/Labs NMR Software Symposium

Our NMR Software Symposium was held on Wednesday, March 31st. Our presentation schedule featured talks from ACD/Labs' staff and customers from Amgen and PPG.

Streamlining Structure Corroboration Using ACD/Labs Software
Robert Marti, PPG

High-Throughput NMR Workflow at Amgen
Tatiana Didenko, Amgen

The Next Level of NMR Software by ACD/Labs
Dimitris Argyropoulos, ACD/Labs

Watch Sessions on Demand

*
*
*
*
*
*

Poster Schedule

WEDNESDAY, MARCH 31ST

8:00–9:30 AM EDT
Evaluation of the Benefit and Informing Capability of 2D NMR Experiments for Structure Elucidation Using CASE Software
Dimitris Argyropoulos and Mikhail Elyashberg

Computer Assisted Structure Elucidation (CASE) has made a huge progress since it was first introduced, and is now considered a reference tool for solving very complex structures. However, there is always the question on what type of 2D experiments should be recorded in order to efficiently solve the problem at hand. In this poster we will examine the effect of various 2D spectra on the elucidation time, illustrated by three different examples: a very simple structure, a complex natural product and finally a proton deficient structure considered to be solved using only an INADEQUATE spectrum.

11:00 AM–12:30 PM EDT
Exploring Modern Technologies for NMR Processing Software
Yalda Liaghati Mobarhan, Dimitris Argyropoulos, Rostislav Pol, Eugene Vodopyanov, Sergey Golotvin and Vladimir Mikhalenko

NMR data is somewhat different from other forms of analytical data, in that datasets are comparably larger and contain useful information throughout the acquired FIDs. Historically a variety of programming languages have been used for NMR software to process data. However, there is rarely a single programming language used exclusively, and most comprehensive NMR software applications use compiled modules written in a variety of languages. In this poster, we examine modern technologies for NMR software development with their advantages and drawbacks for both the programmer and the end user, using specific examples from various implementations.