The Spectral Game with ChemDoodle

In the summer of 2009, we published an article on the Spectral Game. This game is based on spectra uploaded as Open Data (in JCAMP-DX format) on ChemSpider (currently about 2000 H NMRs and a few C NMRs, IRs and NIRs). Students get points by clicking on the molecule associated with the spectrum on display.

Although this has proved to be a useful tool to teach spectroscopy (especially H NMR), there have been some limitations, which are related to the use of Java (JSpecView) to provide an interactive display of the spectra.

1) Spectra do not display properly on Macs - there are problems with the "right-click" options in JSpecView. It took me a really long time to understand why some of my friends were really unimpressed by JSpecView. When I recognized that they were all Mac users I took a look and it became clear.

2) Spectra do not display at all on smartphones because of the Java components

I am very happy to report that these issues have been overcome (for the most part) using ChemDoodle. Through a collaborative effort between Kevin Theisen, Andrew Lang, Antony Williams and myself, we now have a non-Java based version of the Spectral Game at SpectralGame.com.



The game plays well on Mac, iPhone and iPad. However I have seen it fail on 2 Androids so there are still a few kinks to work out. Luckily I happen to be teaching NMR right now in my organic chemistry course so my students will be testing out the ChemDoodle version extensively.

There are some really nice additional features as well. My favorite is the auto-scaling of the integration line when zooming in. In the JSpecView version, integration is problematic because, when zooming into high field peaks, the start of the integration line does not reset to zero and this requires several iterations of changing the integration offset to get a usable measurement.

Another advantage in the ChemDoodle design is the simplicity of the interface. There are no right-click options: everything available is clearly labeled at all times (toggle integration, reset spectrum and view header information). This makes the game easier to learn and play.

I would especially like to thank Kevin Theisen for being so responsive on the ChemDoodle end. I was skeptical that we would have a playable game for this term but he addressed all of our major issues very quickly.

Spectral Game talk at ACS Fall 09

Yesterday (August 17, 2009) I gave my talk on the Spectral Game at the Using Technology to Enhance Learning in Organic Chemistry symposium at the American Chemical Society meeting. I was not able to attend the entire symposium but luckily I did catch David Soulby's talk on using Google groups to distribute NMRs for labs that require many students to submit samples. I am a fan of using free and hosted services to simplify workflows of all types.

Also in attendance at the symposium were Liz Dorland and Bob Hanson. It was good to catch up with them. Bob shared a story of how he has been assigning his students tasks in his organic chemistry class which lead to updating Wikipedia. There is so much potential for using the educational infrastructure to create better scientific content for everyone.

My talk on the Spectral Game highlighted the role of openness in teaching and research to create new educational tools, especially for learning NMR. Tony Williams said a few words at the end about ChemSpider, RSC and some upcoming opportunities to publish synthesis articles on ChemSpider.

Spectral Game ACS Fall 09

View more presentations from Jean-Claude Bradley.

NASA Open Notebook Science Talk April 09

On April 15, 2009 I had an opportunity to give a talk at the NASA Goddard Space Flight Center. I talked about Open Notebook Science and all of the Web 2.0 tools that we use to operate. There were no chemists in the audience but hopefully the overall patterns of how all the components interconnected made enough sense to be useful.

I had a full hour so this talk is a pretty comprehensive summary of our projects, including the most recent work on the Spectral and ChemTiles games and the automated backing up of Google Spreadsheet documents and semi-automated solubility calculations using web services called from within Google Spreadsheets. All of this work was only possible because of Andy Lang's rapid development efforts. Tony Williams also assisted greatly with the Spectral Game.


slides

We had a very nice conversation over lunch with a few NASA people. I found it interesting that many apparently very different user environments (librarians, educators, molecular biologists, cosmologists, etc.) share very similar needs for Web2.0 technologies. For example delicious was lauded as a very convenient alternative to email for sharing content. The distribution of personalities seems to be similar everywhere: a few early adopters within a larger more skeptical population.

After lunch Emma Antunes gave me a tour of the facilities. Despite the annoying rain to get between buildings, it was well worth it. Here are some of the cool things that I saw:

An enormous room housing very large speakers for testing the effect of vibrations on spacecraft and equipment. Emma stands next to one of the several speakers.



A huge centrifuge for testing the robustness of instruments. Emma said that they were able to put an SUV on there to how much force was required to tip it over.



I saw one of the satellites for the Solar Dynamics Observatory under construction. The idea of this project is to use the different perspectives from satellites at different positions in orbit around the sun to calculate the direction of solar flares and other potentially detrimental activity on the sun.

Next to the largest clean room in the world, there is a display of the guts of the Hubble telescope. Apparently the astronauts had to fix some components in there that were not designed to be accessible so they had to do a lot of practice on a duplicate before attempting the task in space.