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As a software company I believe that we have a responsibility to our users to make our products easy to use. A significant amount of time should be (and is) spent every year evaluating how our software can be more user-friendly. If you browse around the web and look at various software packages, you will...

Those of you who have been following this blog through it’s first few month will no doubt have seen a few posts about the comparisons between ACD/Labs, Modgraph, CSEARCH, and the NMRShift DB. For those of you who have not followed this story but are intrigued, you have a lot of reading to do, starting...

For those of you out there who do Metabonomics (or want to), you might be interested in learning more about what ACD/1D NMR Processor can do to help you process and analyze your data. Here are some things you should consider when evaluating software for this use: Very good processing algorithms are required. It think...

TLC (Thin Layer Chromatography) offers a simple approach to identifying a solvent(s) for separating out a mixture, monitoring a reaction to completion, etc. Furthermore, the TLC plates can be stained to identify the presence or absence of various functional groups such as amines, ketones, etc. This qualitative experiment does offer various drawbacks. The process of...

I got some great comments from Tony and Gary on the “Dealing with a Mixture…” post that I decided to do a follow-up post. http://acdlabs.typepad.com/elucidation/2008/02/dealing-with-a.html In my lab days, I would routinely workup a newly acquired 1H NMR for an unknown sample prior to acquiring a 2D NMR dataset. One of my goals was to examine...

In light of the posting by Oliver Fiehn’s group (http://fiehnlab.ucdavis.edu/projects/Seven_Golden_Rules/Ring-Double-Bonds/), I’ve decided to blog some compounds I’ve encountered in the lab. Using the 2nd formula from the previous blog (http://acdlabs.typepad.com/elucidation/2008/03/rings-double-bo.html), for some cases the RDBE calculation will work if the correct atom valence is known. Note: the nitrochloroform compound can be drawn more than one...