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2023
Dr. María Victoria Silva Elipe, Process Development Scientific Associate Director, will be leading an insightful conversation on Practical Measurements Strategy of Anisotropic RDC Data for Stereochemical Characterization of Molecules. Followed by Dr. Ikenna Ndukwe discussing Mnova CASE-3D Methodology and DFT Combine for Unambiguous Structure Analysis of AMGEN APIs. We will have Professor Armando Navarro-Vázquez, who will speak about StereoFitter. Practical multiparametric NMR stereochemical analysis and will provide some recommendations and novelties.
Dr. Andrew “Dru” Namanja, Principal Research Scientist at AbbVie, will explore the potency ranking methods involving both qualitative single-point ligand concentration (Q Score) and quantitative binding affinity (KD), and how the combined utility can be used successfully to drive a Fragment-Based Drug Discovery (FBDD) campaign
One-dimensional selective NMR experiments relying on a J-filter element are proposed to isolate specific signals in crowded 1H spectral regions. The J-filter allows the edition or filtering of signals in a region of interest of the spectrum by exploiting the specific values of their 1H-1H coupling constants and certain parameters of protons coupled to them that appear in less congested parts of the spectrum (chemical shifts and coupling constants).
The screening and selection of the best chromatographic methods play a pivotal role in the synthetic chemistry pipeline as it allows the obtention of high-purity materials for downstream uses. In this application note, we delve into the essential factors and consideration involved in evaluating chromatographic methods through a scoring approach.
Reaction optimization is crucial for achieving efficient syntheses of final products or intermediates. While different approaches can reduce the number of trial reactions, effectively handling and analyzing LCMS data to quantify components remains a significant challenge…
Gavin Shear (Mestrelab) describes expert tools to the desktop user, with game changing enhancements in peak picking, spectral display, and spectral substraction using Mnova MSChrom.
No automation exists in a vacuum. Inputs and outputs to the process (or rather the ease with which these connections can be achieved) can make or break the overall automation. There is no point having a wonderful automation processing 10,000 samples if all the results then need to be transcribed manually into a corporate database!
Experts working with chemistry – from small molecules right up to macromolecules and from pure compounds through to complex mixtures – know that the analytical data acquired by the instruments is empty and meaningless without analysis and interpretation.