How AbbVie Took Control of their Process Chemistry Data Management
Learn how AbbVie overcame the challenge of managing thier process chemistry data management with the help of Luminata.
How to Avoid False Positives and False Negatives in Analytical Chemistry
Is there anything that analytical chemists hate more than false positives and false negatives? While it is impossible to eliminate error completely, it is possible to control it. Understanding the relationship between false positives and negatives allows us to optimize our experimental design. We discuss more in this blog post.
Trends in Structure Elucidation & Verification
ACD/Labs is committed to supporting scientific experts from many of the world’s leading biopharmaceutical and chemical companies in identifying, verifying, and elucidating chemical structures. Recently, we brought together some of these experts to discuss their workflows and how they’ve improved efficiency and confidence in structure determination.
A Beginner’s Guide to Mass Spectrometry
Mass spectrometry (MS) is a valuable tool that can give you vast amounts of MS data to help you identify and quantify components. MS has been used to discover, determine, and quantify sample compounds in the proteomics, metabolomics, imaging, and glycomics applications across the food, pharmaceutical, and environmental industries. Combining MS with appropriate software and computer technology allows the possibility for more extensive applications. But first, we must understand the basics.
Trichopsistide A
Using the traditional method of structure elucidation based on analysis of HSQC, HMBC and COSY data, the authors deduced a large part of the molecular structure, but the lack of carbons bearing hydrogen atoms prevented them to assemble the full structure. To alleviate this problem, ACD/Structure Elucidator was utilized in Trichopsistide A, molecular formula C23H29NO5.
Exchangeable Protons in NMR—Friend or Foe?
Due to their broad peaks and wide range of chemical shifts in 1H NMR spectra, exchangeable protons are known to pose challenges in NMR interpretation, but collecting 2D spectra and selecting proper experimental conditions can sometimes be used in our favor to learn more.
Furaquinocin L
Tistechok et al. described the isolation, purification, and structure elucidation of a new naphthoquinone-based meroterpenoid, Furaquinocin L from Streptomyces sp. Je 1-369, which expands the structural diversity of the furaquinocin family of natural products.
Dichocetide D
Shaker et al. recently reported the isolation of Dichocetide D from the marine fungus Dichotomomyces cejpii under oxygen stress conditions. The structure of Dichocetide D was revised by Elyashberg et al on the basis of chemical considerations and utilization of ACD/Structure Elucidator.
Piperkadsin C
Kim and coworkers isolated a new neolignan, piperkadsin C, and elucidated its structure. However, the structure was revised by the same group in their next article. Structure Elucidator Suite was used to confirm the proposed structure #2, molecular formula C20H20O6.
An Introduction to Peak Tailing, Fronting and Splitting in Chromatography
The highly coveted Gaussian peak, a sharp symmetrical shape on a flat baseline, is the ideal peak shape in chromatography. Why is it so highly desired? Naturally, we tend to be drawn to the beauty of symmetry, but more importantly, good peak shape is important for better resolution (Rs) and increased accuracy in quantitation.