Polarized light foldscopy
I finally got myself a polarizing film. By this I can now polarize the light falling on the sample by placing the film between the light source and the sample and further by placing another film be...
Read ItChemistry
- Analytical Chemistry
- Chemical Information
- Computational Chemistry
- Inorganic Chemistry
- Organic Chemistry
- Physical Chemistry
Comparing the EPA CompTox Dashboard with ChemSpider for MS-based Structure Identification
It’s almost ten years, this April, since ChemSpider was released to the public at the 233rd ACS meeting in Chicago. For two years, prior to being acquired by RSC in May 2009, we worked very closely...
Read ItPRESENTATION: Building an Online Profile Using Social Networking and Amplification Tools for Scientists
This presentation was given as a 2 hour hands-on training course at the Frontier Building in the Research Triangle Park in NC funded by an Industry Award Grant from the ACS and matching financial s...
Read ItThe EPA iCSS Chemistry Dashboard to Support Compound Identification Using High Resolution Mass Spectrometry Data
Presentation given at ACS Meeting in Philadelphia in August 2016 The EPA iCSS Chemistry Dashboard to Support Compound Identification Using High Resolution Mass Spectrometry Data There is a growing ...
Read ItThe EPA Online Prediction Physicochemical Prediction Platform to Support Environmental Scientists
This poster was presented at the American Chemical Society in Philadelphia in August 2016 at the Sci-Mix gathering and at the ENVR section on Wednesday. SESSION: Sci-Mix SESSION TIME: August 22, 20...
Read ItStructure Identification Using High Resolution Mass Spectrometry Data and the EPA’s Chemistry Dashboard
This presentation was presented at the American Chemical Society in Philadelphia in August 2016 DAY & TIME OF PRESENTATION: Sunday, August, 21, 2016 from 1:10 PM – 1:35 PM ROOM & LOCATION: ...
Read ItDiscovery based research experiences: gauche effects in group 16 elements.
The upcoming ACS national meeting in San Diego has a CHED (chemical education division) session entitled Implementing Discovery-Based Research Experiences in Undergraduate Chemistry Courses. I had ...
Read ItA visualisation of the effects of conjugation; dienes and biaryls.
Here is another exploration of simple chemical concepts using crystal structures. Consider a simple diene: how does the central C-C bond length respond to the torsion angle between the two C=C bond...
Read ItDeviations from planarity of trigonal carbon and from linearity of digonal carbon.
Previously, I explored deviation from ideal tetrahedral arrangements of four carbon ligands around a central (sp 3) carbon using crystal structures. Now it is the turn of digonal (sp 1) and trigona...
Read ItBond stretch isomerism. Did this idea first surface 100 years ago?
The phenomenon of bond stretch isomerism, two isomers of a compound differing predominantly in just one bond length, is one of those chemical concepts that wax and occasionally wane. Here I explore...
Read ItHow to stop (some) acetals hydrolysing.
Derek Lowe has a recent post entitled " Another Funny-Looking Structure Comes Through". He cites a recent medchem article[1] in which the following acetal sub-structure appears in a promising drug ...
Read ItCould anyone comment on any recent calculated results on the planarity, or lack thereof, of azobenzene?
This question was posted on the CCL (computational chemistry list) by John McKelvey. Here, I give an answer in the form of a search of the CSD (crystal structure database). I was not sure if the qu...
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