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Sherry Myles
Analytical data is diverse, tied to many applications, and often difficult to access and share. But when data is managed well, the possibilities are endless. Here, three experts break down the key pain points and set you on the right path in your data management journey.

Sherry Myles
Natural products remain one of the major sources of coveted, biologically active compounds. Each isolated compound undergoes biological testing, and its structure is usually established using a set of spectroscopic techniques (NMR, MS, UV-IR, ECD, VCD, etc.). However, the number of erroneously determined structures remains noticeable. Structure revisions are very costly, as they usually require...

Sherry Myles
Graham McGibbon and Simon Meffan-Main (TetraScience) discuss the value of digital data and its huge potential to influence decision-making and experimentation.

ACDLabs
How ACD/Labs Enables More Robust, Efficient Separations With the increasingly challenging demands confronted by separation scientists on their expertise, resources, and time, traditional chromatography approaches are often lacking. Chromatographers require advanced informatics solutions that offer comprehensive coverage of all method development functions. Learn how ACD/Labs’ strategies enable compliance with Quality by Design (QbD) regulatory expectations,...

Sherry Myles
Developing safe medicines is hard work. Researchers must rigorously assess every drug candidate molecule to ensure it does not harm patients. Cardiotoxicity – toxicity to the heart – is one of the factors that scientists consider. Members of the ACD/Labs team, Kiril Lanevskij, Remigijus Didziapetris, and Andrius Sazonovas recently published a paper on the subject...

Sherry Myles
Structure Elucidator Suite was used to determine the structures of two enantiomers of dihydro-2-fluorodeschloroketamine (dihydro-2-FDCK), contributing to the findings of this article. These findings provide an important reference for analyzing other oxidative metabolites, laying the foundation for future analysis, prediction, elucidation and identification of the latest ketamine-type new psychoactive substance metabolites.

Sherry Myles
ACD/Labs will combine their expertise in chemical information management with the knowledge and expertise of ELSIE consortium members to create a searchable knowledge repository of pre‑competitive data. Philadelphia, USA (March 20, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced a collaboration with the Extractables and Leachables Safety Information...

Sherry Myles
The previously undescribed natural product lumnitzeralactone, which represents a derivative of ellagic acid, was isolated from the anti-bacterial extract of the Indonesian mangrove species Lumnitzera racemosa Willd. The structure of lumnitzeralactone, a proton-deficient and highly challenging condensed aromatic ring system, was unambiguously elucidated by extensive spectroscopic analyses involving high-resolution mass spectrometry (HRMS), 1D 1H and 13C nuclear magnetic...