Tag: Internet Journal

  • Curating a nine year old journal FAIR data table.

    As the Internet and its Web-components age, so early pages start to decay as technology moves on. A few posts ago, I talked about the maintenance of a relatively simple page first hosted some 21 years ago. In my notes on the curation, I wrote the phrase “Less successful was the attempt to include buttons which could be used to annotate the structures with highlights. These buttons no longer work and will have to be entirely replaced in the future at some stage.” Well, that time has now come, for a rather more crucial page associated with a journal article published more recently in 2009.[cite]10.1039/b810301a[/cite]

    The story started a few days ago when I was contacted by the learned society publisher of that article, noting they were “just checking our updated HTML view and wanted to test some of our old exceptions“. I should perhaps explain what this refers to. The standard journal production procedures involve receiving a Word document from authors and turning that into XML markup for the internal production processes. For some years now, I have found such passive (i.e. printable only) Word content unsatisfactory for expressing what is now called FAIR (Findable, accessible, inter-operable and re-usable) data. Instead, I would create another XML expression (using HTML), which I described as Interactive Tables and then ask the publisher to host it and add that as a further link to the final published article. I have found that learned society publishers have not been unwilling to create an “exception” to their standard production workflows (the purely commercial publishers rather less so!). That exceptional link is http://www.rsc.org/suppdata/cp/b8/b810301a/Table/Table1.html but it has now “fallen foul of the java deprecation“. 

    Back in 2008 when the table was first created, I used the Java-based Jmol program to add the interactive component. That page, when loaded, now responds with the message:

    This I must emphasise is nothing to do with the publisher, it is the Jmol certificate that has been revoked. That of itself requires explanation. Java is a powerful language which needs to be “sandboxed” to ensure system safety. But commands can be created which can access local file stores and write files out there (including potentially dangerous ones). So it started to become the practise to sign the Java code with the developer certificate to ensure provenance for the code. These certificates are time-expired and around 2015 the time came to renew it. Normally, when such a certificate is renewed, the old one is allowed to continue operation. On this occasion the agency renewing the certificate did not do this but revoked the old one instead (Certificate has been revoked, reason: CESSATION_OF_OPERATION, revocation date: Thu Oct 15 23:11:18 BST 2015). So all instances of Jmol with the old certificate now give the above error message. 

    The solution in this case is easy; the old Jmol code (as JmolAppletSigned.jar) is simply replaced with the new version for which the certificate is again valid. But simply doing that alone would merely have postponed the problem; Java is now indeed deprecated for many publishers, which is a warning that it will be prohibited at some stage in the future.‡ So time to bite the bullet and remove the dependency on Java-Jmol, replacing it with JSmol which uses only JavaScript.

    Changing published content is in general not allowed; one instead must publish a corrigendum. But in this instance, it is not the content that needs changing but the style of its presentation (following the principle of the Web of a clear-cut separation of style and content). So I set out to update the style of presentation, but I was keen to document the procedures used. I did this by commenting out non-functional parts of the style components of my original HTML document (as <!– comment –>) and adding new ones. I describe the changes I made below.

    1. The old HTML contained the following initialisation code: jmolInitialize(".","JmolAppletSigned.jar");jmolSetLogLevel('0'); which was commented out.
    2. New scripts to initialize instead JSmol were added, such as:
      <script src="JSmol.min.js" type="text/javascript"> </script>
    3. I added further scripts to set up controls to add interactivity.
    4. The now deprecated buttons had been invoked using a Jmol instance:  jmolButton('load "7-c2-h-020.jvxl";isosurface "" opaque; zoom 120;',"rho(r) H")
    5. which was replaced by the JSmol equivalent, but this time to produce a hyperlink rather than a button (to allow the greek ρ to appear, which it could not on a button): <a href="javascript:show_jmol_window();Jmol.script(jmolApplet0,'load 7-c2-020.jvxl;isosurface &quot;&quot; translucent;spin 3;')">ρ(r)</a>,
    6. Some more changes were made to another component of the table, the links to the data repository. Originally, these quoted a form of persistent identifier known as a Handle; 10042/to-800. Since the data was deposited in 2008, the data repository has licensed further functionality to add DataCite DOIs to each entry. For this entry,  10.14469/ch/775. Why? Well, the original Handle registration had very little (chemically) useful registered metadata, whereas DataCite allows far richer content. So an extra column was added to the table to indicate these alternate identifiers for the data.
    7. We are now at the stage of preparing to replace the Java applet at the publishers site with the Javascript version, along with the amended HTML file. The above link, as I write this post, still invokes the old Java, but hopefully it will shortly change to function again as a fully interactive table.
    8. I should say that the whole process, including finding a solution and implementing it took 3-4 hours work, of which the major part was the analysis rather than its implementation.

    It might be interesting to speculate how long the curated table will last before it too needs further curation. There are some specifics in the files which might be a cause for worry, namely the so-called JVXL isosurfaces which are displayed. These are currently only supported by Jmol/JSmol. They were originally deployed because iso-surfaces tend to be quite large datafiles and JVXL used a remarkably efficient compression algorithm (“marching cubes”) which reduces the cube size one hundred-fold or more. Should JSmol itself become non-operational at some time in the (hopefully) far future (which we take to be ~10 years!) then a replacement for the display of JVXL will need to be found. But the chances are that the table itself will decay “gracefully”, with the HTML components likely to outlive most of the other features. The data repository quoted above has itself now been available for ~12 years and it too is expected to survive in some form for perhaps another 10. Beyond that period, no-one really knows what will still remain. 

    You may well ask why the traditional journal model of using paper to print articles and which has survived some 350 years now, is being replaced by one which struggles to survive 10 years without expensive curation. Obviously, a 3D interactive display is not possible on paper.[cite]10.6084/m9.figshare.797481[/cite] But one also hears that publishers are increasingly dropping printed versions entirely. One presumes that the XML content will be assiduously preserved, but re-working (transforming, as in XSLT) any particular flavour of XML into another publishers systems is also likely to be expensive. Perhaps in the future the preservation of 100% of all currently published journals will indeed become too expensive and we might see some of the less important ones vanishing for ever?


    Nowadays it is necessary to configure your system or Web browser to allow even signed valid Java applets to operate. Thus in the Safari browser (which still allows Java to operate, other popular browsers such as Chrome and Firefox have recently removed this ability), one has to go to preferences/security/plugin-settings/Java, enter the URL of the site hosting the applet and set it to either “ask” (when a prompt will always appear asking if you want to accept the applet) or “on” when it will always do so. How much longer this option will remain in this browser is uncertain.

    In the area of chemistry, an early pioneer was the Internet Journal of Chemistry, where the presentation of the content took full advantage of Web-technologies and was on-line only. It no longer operates and the articles it hosted are gone.

  • Journal innovations – the next step is augmented reality?

    In the previous post, I noted that a chemistry publisher is about to repeat an earlier experiment in serving pre-prints of journal articles. It would be fair to suggest that following the first great period of journal innovation, the boom in rapid publication “camera-ready” articles in the 1960s, the next period of rapid innovation started around 1994 driven by the uptake of the World-Wide-Web. The CLIC project[cite]10.1080/13614579509516846[/cite] aimed to embed additional data-based components into the online presentation of the journal Chem Communications, taking the form of pop-up interactive 3D molecular models and spectra. The Internet Journal of Chemistry was designed from scratch to take advantage of this new medium.[cite]10.1080/00987913.2000.10764578[/cite] Here I take a look at one recent experiment in innovation which incorporates “augmented reality”.[cite]10.1055/s-0035-1562579[/cite]

    The title is interesting: “Combination of Enabling Technologies to Improve and Describe the Stereoselectivity of Wolff–Staudinger Cascade Reaction“. One of these technologies relates to “microwave-assisted flow generation of primary ketenes by thermal decomposition of α-diazoketones at high temperature”, but the journal presentation itself attempts the “faster interpretation of computed data via a new web-based molecular viewer, which takes advantage from Augmented Reality (AR) technology“. To access this component directly, go to the link https://leyscigateway.ch.cam.ac.uk/staudinger/ It is not incorporated into the journal infrastructures as the CLIC project attempted, but is perhaps closer to the model I noted in the previous post of supporting (FAIR)  data associated with the article and hosted separately from the journal.

    What happens next depends rather on the Web browser you are using. With many browsers and tablets, a conventional 3D molecular presentation appears; there is no button present where the red arrow points. You will find out this is because “Augmented Reality is not available in your browser, as the getUserMedia() API is not supported

    AR0

    Some browsers (the latest Opera, FireFox, Chrome) do support this feature, and a new AR button appears. Selecting this now layers the video from the device camera onto the 3D molecular model; the molecule now floats in the scene captured by the camera (which in the case below is the room I am sitting in). After a few seconds you are urged to “point the camera towards the AR marker”. The supporting information contains such AR markers as a navigation aid for the 3D coordinates contained there. An example is:

    AR-markers

    If this marker is now brought into the camera view (by printing it, sic) and holding it in front of the camera image, the marker resolves into further data relevant to the molecule of interest, layered into the existing scene of the room and the molecule. For the marker above, it resolves to a reaction energy profile which reveals where the specific molecule sits energetically in terms of the overall reaction.

    AR

    This layering of “heads up” molecular data into a scene comprising a 3D molecular model and the human viewer of that molecule captured in video is what defines the concept of “augmented reality” (the data being the augmentation, rather than the human). 

    Having now tried it out, I was left wondering whether this truly was a great advance in enabling technology for chemistry journals. The role of the camera seems primarily to capture the AR markers contained in the supporting information; the presence of the reader in the video image apparently inspecting the molecule could be regarded as a distraction. The AR markers (QR codes) are merely visual representations of a URL, which in the form of a DOI (as used in this blog) to locate data is rather more familiar to most readers. The DOI, by the way, carries further information in the form of metadata, and which when sent to e.g. DataCite, enables the data to be found. Does the data need to be layered onto the molecule (and apparently floating in front of the reader) to become usable? Could it instead be placed in a pop-up or separate window of its own (as the 1994 CLIC project achieved)? Do the AR markers enable the data to be FAIR? One can Find the data (albeit only by reading and printing the supporting information) and view it in the AR scene, but is it Accessible (can one access the underlying numerical data?) or Interoperable (place it into another program) or Re-usable?

    As with all enabling technologies, one has to always ask if that technology helps or hinders. Or is the principle of KISS (keep it simple) sometimes better? It is however good to see research groups experimenting with these themes and meanwhile readers can judge for themselves whether “heads up” AR augmentation of the data describing research is indeed the next big thing.