{"id":26573,"date":"2023-12-10T08:36:42","date_gmt":"2023-12-10T08:36:42","guid":{"rendered":"https:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=26573"},"modified":"2023-12-31T16:11:07","modified_gmt":"2023-12-31T16:11:07","slug":"the-journey-from-journal-esi-to-fair-data-objects-an-eighteen-year-old-continuing-experiment","status":"publish","type":"post","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=26573","title":{"rendered":"The journey from Journal &#8220;ESI&#8221; to FAIR data objects: An eighteen year old (continuing) experiment."},"content":{"rendered":"<div class=\"kcite-section\" kcite-section-id=\"26573\">\n<p>Around 1996, journals started publishing what became known as &#8220;ESI&#8221; or electronic supporting information, alongside the articles themselves, as a mechanism for exposing the data associated with the research being reported and exploiting some of the new opportunities offered by the World Wide Web. From the outset, such ESI was expressed as a paginated Acrobat file, with the Web being merely a convenient document delivery mechanism. Such ESI would eventually reach more than 1000 such pages in length in some chemistry articles. The richer opportunities of Web interactivity were far less exploited. I have written about various aspects of this throughout this blog<span id=\"cite_ITEM-26573-0\" name=\"citation\"><a href=\"#ITEM-26573-0\">[1]<\/a><\/span>,<span id=\"cite_ITEM-26573-1\" name=\"citation\"><a href=\"#ITEM-26573-1\">[2]<\/a><\/span>,<span id=\"cite_ITEM-26573-2\" name=\"citation\"><a href=\"#ITEM-26573-2\">[3]<\/a><\/span>, together with one early compendium of our own data examples.<span id=\"cite_ITEM-26573-3\" name=\"citation\"><a href=\"#ITEM-26573-3\">[4]<\/a><\/span> Here I update that compendium <a href=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/IESI\/\" rel=\"noopener\" target=\"_blank\">starting from 2005 to the current 2023<\/a> and add further information, being the current state of curation of some of these early examples. Curation became necessary because many of the earlier examples were no longer functional due to changes in the way journals expose these data objects or indeed changes at the data repository end of things over this 18 year period.<\/p>\n<table border=\"1\">\n<tr>\n<th colspan=\"6\">Table 1. Eighteen years of publishing journal FAIR data objects and their current<br \/>\ncuration location<sup>&Dagger;<\/sup><\/th>\n<\/tr>\n<tr>\n<th>#<\/th>\n<th>Article DOI<sup>a<\/sup><\/th>\n<th>Year<\/th>\n<th>Title<\/th>\n<th>Article Data URL\/<br \/>\nData Citation<sup>a<\/sup><\/th>\n<th>Curated version via DOI<\/th>\n<\/tr>\n<tr>\n<td>1<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ja043819b\" target=\"references\" rel=\"noopener\">10.1021\/ja043819b<\/a><\/td>\n<td>2005<\/td>\n<td>A Computational Analysis of the Ring-Opening Polymerization of rac-Lactide Initiated by<br \/>\nSingle-Site \u03b2-Diketiminate Metal Complexes:\u2009 Defining the Mechanistic Pathway and the Origin<br \/>\nof Stereocontrol<\/td>\n<td><a href=\"https:\/\/ndownloader.figstatic.com\/collections\/3200266\/versions\/1\" target=\"references\" rel=\"noopener\">Archive<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10856\" target=\"references\" rel=\"noopener\">Tables S1, S2 and S3<\/a><\/td>\n<\/tr>\n<tr>\n<td>2<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1039\/b510508k\" target=\"references\" rel=\"noopener\">10.1039\/b510508k<\/a><\/td>\n<td>2005<\/td>\n<td>Double-twist M\u00f6bius Aromaticity in a 4n+2 Electron Electrocyclic Reaction<\/td>\n<td><a href=\"https:\/\/www.rsc.org\/suppdata\/CC\/b5\/b510508k\/index.htm\" target=\"references\" rel=\"noopener\">Table S1<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10864\" target=\"references\" rel=\"noopener\">Table S1<\/a><\/td>\n<\/tr>\n<tr>\n<td>3<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ol0518333\" target=\"references\" rel=\"noopener\">10.1021\/ol0518333<\/a><\/td>\n<td>2005<\/td>\n<td>A Double-Twist M\u00f6bius-Aromatic Conformation of [14]Annulene<\/td>\n<td><a href=\"https:\/\/ndownloader.figstatic.com\/collections\/3183106\/versions\/1\" target=\"references\" rel=\"noopener\">Archive<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10868\" target=\"references\" rel=\"noopener\">Figure S1<\/a><\/td>\n<\/tr>\n<tr>\n<td>4<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ja061400a\" target=\"references\" rel=\"noopener\">10.1021\/ja061400a<\/a><\/td>\n<td>2006<\/td>\n<td>Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site<br \/>\n\u03b2-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ja061400a\/ja061400a_f11weo.html\" target=\"references\" rel=\"noopener\">WEO<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10865\" target=\"references\" rel=\"noopener\">Table S1<\/a><\/td>\n<\/tr>\n<tr>\n<td>5<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ic0519988\" target=\"references\" rel=\"noopener\">10.1021\/ic0519988<\/a><\/td>\n<td>2006<\/td>\n<td>A Computational Study of the Nondissociative Mechanisms that Interchange Apical and<br \/>\nEquatorial Atoms in Square Pyramidal Molecules<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ic0519988\/ic0519988.html\" target=\"references\" rel=\"noopener\">Index for 14 WEOs<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10849\">Index for 14 WEOs<\/a><\/td>\n<\/tr>\n<tr>\n<td>6<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ic062473y\" target=\"references\" rel=\"noopener\">10.1021\/ic062473y<\/a><\/td>\n<td>2007<\/td>\n<td>In Search of the Bailar and R\u00e2y\u2212Dutt Twist Mechanisms That Racemize Chiral Trischelates:<br \/>\nA Computational Study of ScIII, TiIV, CoIII, ZnII, GaIII, and GeIV Complexes of a Ligand<br \/>\nAnalogue of Acetylacetonate<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ic062473y\/weoa.html\" target=\"references\" rel=\"noopener\">WEOa<\/a>,<a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ic062473y\/weob.html\" target=\"references\" rel=\"noopener\">WEOb<\/a>,<a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ic062473y\/weoc.html\" target=\"references\" rel=\"noopener\">WEOc<\/a>,<br \/>\n<a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ic062473y\/weod.html\" target=\"references\" rel=\"noopener\">WEOd<\/a>,<a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ic062473y\/weoe.html\" target=\"references\" rel=\"noopener\">WEOe<\/a>, <a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ic062473y\/weof.html\" target=\"references\" rel=\"noopener\">WEOf<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10866\" target=\"references\" rel=\"noopener\">Index to WEOa-f<\/a><\/td>\n<\/tr>\n<tr>\n<td>7<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ol703129z\" target=\"references\" rel=\"noopener\">10.1021\/ol703129z<\/a><\/td>\n<td>2008<\/td>\n<td>Lemniscular Hexaphyrins as Examples of Aromatic and Antiaromatic Double-Twist M\u00f6bius<br \/>\nMolecules<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ol703129z\/\" target=\"references\" rel=\"noopener\">WEO<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10871\" target=\"references\" rel=\"noopener\">WEO<\/a><\/td>\n<\/tr>\n<tr>\n<td>8<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/np0705918\" target=\"references\" rel=\"noopener\">10.1021\/np0705918<\/a><\/td>\n<td>2008<\/td>\n<td>Structural Reassignment of Obtusallenes V, VI, and VII by GIAO-Based Density Functional<br \/>\nPrediction<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/np0705918\/index.html\" target=\"references\" rel=\"noopener\">WEO<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10947\" target=\"references\" rel=\"noopener\">WEO<\/a><\/td>\n<\/tr>\n<tr>\n<td>9<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ja710438j\" target=\"references\" rel=\"noopener\">10.1021\/ja710438j<\/a><\/td>\n<td>2008<\/td>\n<td>Intrinsically Chiral Aromaticity. Rules Incorporating Linking Number, Twist, and Writhe<br \/>\nfor Higher-Twist M\u00f6bius Annulenes<\/td>\n<td><a href=\"https:\/\/ndownloader.figstatic.com\/files\/4631845\" target=\"references\" rel=\"noopener\">Archive<\/a>,<a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ja710438j\/weo1.html\" target=\"references\" rel=\"noopener\">WEO1<\/a>, <a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ja710438j\/weo2.html\" target=\"references\" rel=\"noopener\">WEO2<\/a>, <a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ja710438j\/weo3.html\" target=\"references\" rel=\"noopener\">WEO3<\/a>,<br \/>\n<a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ja710438j\/weo4.html\" target=\"references\" rel=\"noopener\">WEO4<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10948\" target=\"references\" rel=\"noopener\">WEO1<\/a>, <a href=\"https:\/\/doi.org\/10.14469\/hpc\/10949\" target=\"references\" rel=\"noopener\">WEO2<\/a>, <a href=\"https:\/\/doi.org\/10.14469\/hpc\/10950\" target=\"references\" rel=\"noopener\">WEO3<\/a>, <a href=\"https:\/\/doi.org\/10.14469\/hpc\/10951\" target=\"references\" rel=\"noopener\">WEO4<\/a><\/td>\n<\/tr>\n<tr>\n<td>10<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/jo801022b\" target=\"references\" rel=\"noopener\">10.1021\/jo801022b<\/a><\/td>\n<td>2008<\/td>\n<td>Chiral Aromaticities. AIM and ELF Critical Point and NICS Magnetic Analyses of<br \/>\nM\u00f6bius-Type Aromaticity and Homoaromaticity in Lemniscular Annulenes and Hexaphyrins<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/suppl\/10.1021\/jo801022b\/suppl_file\/jo801022b_si_001.zip\" target=\"references\" rel=\"noopener\">Archive<\/a>, <a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/jo801022b\/index.html\" target=\"references\" rel=\"noopener\">WEO<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10955\" target=\"references\" rel=\"noopener\">WEO<\/a><\/td>\n<\/tr>\n<tr>\n<td>11<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ct8001915\" target=\"references\" rel=\"noopener\">10.1021\/ct8001915<\/a><\/td>\n<td>2008<\/td>\n<td>Chiral Aromaticities. A Topological Exploration of M\u00f6bius Homoaromaticity<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ct8001915\/index.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10956\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<\/tr>\n<tr>\n<td>12<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1039\/b810147g\" target=\"references\" rel=\"noopener\">10.1039\/b810147g<\/a><\/td>\n<td>2008<\/td>\n<td>A computational investigation of the structure of polythiocyanogen<\/td>\n<td><a href=\"http:\/\/www.rsc.org\/suppdata\/dt\/b8\/b810147g\/Table1.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<td><a href=\"http:\/\/www.rsc.org\/suppdata\/dt\/b8\/b810147g\/Table1.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<\/tr>\n<tr>\n<td>13<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1039\/B810301A\" target=\"references\" rel=\"noopener\">10.1039\/B810301A<\/a><\/td>\n<td>2009<\/td>\n<td>Wormholes in chemical space connecting torus knot and torus link \u03c0-electron density<br \/>\ntopologies<\/td>\n<td><a href=\"https:\/\/www.rsc.org\/suppdata\/cp\/b8\/b810301a\/Table\/Table1.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/11117\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<\/tr>\n<tr>\n<td>14<\/td>\n<td><a href=\"http:\/\/dx.doi.org\/10.1021\/ol901172g\" target=\"references\" rel=\"noopener\">10.1021\/ol901172g<\/a><\/td>\n<td>2009<\/td>\n<td>The Chiro-optical Properties of a Lemniscular Octaphyrin<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ol901172g\/index.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10957\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<\/tr>\n<tr>\n<td>15<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/jp902176a\" target=\"references\" rel=\"noopener\">10.1021\/jp902176a<\/a><\/td>\n<td>2009<\/td>\n<td>The Geometry and Electronic Topology of Higher-Order Charged M\u00f6bius Annulenes<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/jp902176a\/index.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10958\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<\/tr>\n<tr>\n<td>16<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1039\/B911817A\" target=\"references\" rel=\"noopener\">10.1039\/B911817A<\/a><\/td>\n<td>2009<\/td>\n<td>The distortivity of \u03c0-electrons in conjugated boron rings<\/td>\n<td><a href=\"http:\/\/www.rsc.org\/suppdata\/cp\/b9\/b911817a\/Table\/Table1.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<td><a href=\"http:\/\/www.rsc.org\/suppdata\/cp\/b9\/b911817a\/Table\/Table1.html\" target=\"references\" rel=\"noopener\">Table 1<\/a><\/td>\n<\/tr>\n<tr>\n<td>17<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1038\/nchem.373\" target=\"references\" rel=\"noopener\">10.1038\/nchem.373<\/a><\/td>\n<td>2009<\/td>\n<td>The importance of being bonded<\/td>\n<td><a href=\"http:\/\/www.nature.com\/nchem\/journal\/v1\/n7\/media\/nchem.373_jmol.html\" target=\"references\" rel=\"noopener\">Exploratorium<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/11119\" target=\"references\" rel=\"noopener\">Exploratorium<\/a><\/td>\n<\/tr>\n<tr>\n<td>18<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1039\/B913295C\" target=\"references\" rel=\"noopener\">10.1039\/B913295C<\/a><\/td>\n<td>2009<\/td>\n<td>Unusual regiodivergence in metal-catalysed intramolecular cyclisation of \u03b3-allenols<\/td>\n<td><a href=\"https:\/\/www.rsc.org\/suppdata\/cc\/b9\/b913295c\/table\/tables_index.html\" target=\"references\" rel=\"noopener\">Tables 1 &amp; 2<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/11120\" target=\"references\" rel=\"noopener\">Tables 1 &amp; 2<\/a><\/td>\n<\/tr>\n<tr>\n<td>19<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1016\/j.tetlet.2009.02.228\" target=\"references\" rel=\"noopener\">10.1016\/j.tetlet.2009.02.228<\/a><\/td>\n<td>2009<\/td>\n<td>A dramatic effect of double bond configuration in N-oxy-3-aza Cope rearrangements\u2014a<br \/>\nsimple synthesis of functionalised allenes<\/td>\n<td>Not hosted<\/td>\n<td><a href=\"https:\/\/10.14469\/hpc\/10961\" target=\"references\" rel=\"noopener\">Table<\/a><\/td>\n<\/tr>\n<tr>\n<td>20<\/td>\n<td><a href=\"https:\/\/doi.org\/10.1021\/ed800058c\" target=\"references\" rel=\"noopener\">10.1021\/ed800058c<\/a><\/td>\n<td>2009<\/td>\n<td>Racemization of Isobornyl Chloride via Carbocations: A Nonclassical Look at a Classic<br \/>\nMechanism<\/td>\n<td><a href=\"https:\/\/pubs.acs.org\/doi\/media\/10.1021\/ed800058c\/index.html\" target=\"references\" rel=\"noopener\">Table<\/a><\/td>\n<td><a href=\"https:\/\/doi.org\/10.14469\/hpc\/10962\" target=\"references\" rel=\"noopener\">Table<\/a><\/td>\n<\/tr>\n<\/table>\n<p><small><sup>a<\/sup>To inspect the metadata associated with any article, use eg <\/small><small><a href=\"https:\/\/api.crossref.org\/works\/10.1002\/anie.202006283\/transform\/application\/vnd.crossref.unixsd+xml\" target=\"references\" rel=\"noopener\">https:\/\/api.crossref.org\/works\/10.1002\/anie.202006283\/transform\/application\/vnd.crossref.unixsd+xml<\/a><\/small><br \/>\nand check how eg the data citation is expressed there.<\/p>\n<hr \/>\n<p>The future seems likely to be influenced by the increasing requests from publishers for data to be made available in so-called FAIR-form, via an appropriate citation using a data DOI. The other feature on the horizon is the introduction of tools such as &#8220;<strong>Finding Aids<\/strong>&#8220;, where an automated script is able to automatically identify relationships between various data objects and the molecular content expressed within them and to generate a tool which exploits these relationships by adding further layers of navigation and especially of <b>F<\/b>indability to the data objects. I hope to show such an example here shortly &#8211; watch this space.<\/p>\n<hr \/>\n<p><sup>&Dagger;<\/sup>This table contains only the first 20 entries, since the whole table does not seem to display correctly on this blog. <a href=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/IESI\/\" rel=\"noopener\" target=\"_blank\">The whole table can be seen here<\/a>. See also <a href=\"https:\/\/www.rzepa.net\/blog\/?p=26573\" rel=\"noopener\" target=\"_blank\">this backup version of the post<\/a>.<\/p>\n<h2>References<\/h2>\n    <ol class=\"kcite-bibliography csl-bib-body\"><li id=\"ITEM-26573-0\">H. Rzepa, \"Four stages in the evolution of interactive ESI as part of articles in chemistry journals.\", 2022. <a href=\"https:\/\/doi.org\/10.59350\/qypm4-qfv97\">https:\/\/doi.org\/10.59350\/qypm4-qfv97<\/a>\n\n<\/li>\n<li id=\"ITEM-26573-1\">H. Rzepa, \"Web page decay and Journals: How an interactive &quot;ESI&quot; from 2006 was rescued.\", 2022. <a href=\"https:\/\/doi.org\/10.59350\/cqesx-a0e83\">https:\/\/doi.org\/10.59350\/cqesx-a0e83<\/a>\n\n<\/li>\n<li id=\"ITEM-26573-2\">H. Rzepa, \"Curating a nine year old journal FAIR data table.\", 2017. <a href=\"https:\/\/doi.org\/10.59350\/z9g5j-r2p69\">https:\/\/doi.org\/10.59350\/z9g5j-r2p69<\/a>\n\n<\/li>\n<li id=\"ITEM-26573-3\">H. Rzepa, \"(Hyper)activating the chemistry journal.\", 2009. <a href=\"https:\/\/doi.org\/10.59350\/wczky-8sf79\">https:\/\/doi.org\/10.59350\/wczky-8sf79<\/a>\n\n<\/li>\n<\/ol>\n\n<\/div> <!-- kcite-section 26573 -->","protected":false},"excerpt":{"rendered":"<p>Around 1996, journals started publishing what became known as &#8220;ESI&#8221; or electronic supporting information, alongside the articles themselves, as a mechanism for exposing the data associated with the research being reported and exploiting some of the new opportunities offered by the World Wide Web. From the outset, such ESI was expressed as a paginated Acrobat [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"activitypub_content_warning":"","activitypub_content_visibility":"","activitypub_max_image_attachments":5,"activitypub_interaction_policy_quote":"anyone","activitypub_status":"","footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[],"tags":[],"ppma_author":[2661],"class_list":["post-26573","post","type-post","status-publish","format-standard","hentry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>The journey from Journal &quot;ESI&quot; to FAIR data objects: An eighteen year old (continuing) experiment. - Henry Rzepa&#039;s Blog<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=26573\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"The journey from Journal &quot;ESI&quot; to FAIR data objects: An eighteen year old (continuing) experiment. - Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"og:description\" content=\"Around 1996, journals started publishing what became known as &#8220;ESI&#8221; or electronic supporting information, alongside the articles themselves, as a mechanism for exposing the data associated with the research being reported and exploiting some of the new opportunities offered by the World Wide Web. 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Then came ESI or electronic supporting information. Most recently, many journals are\u2026","rel":"","context":"In &quot;Interesting chemistry&quot;","block_context":{"text":"Interesting chemistry","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=4"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":29523,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=29523","url_meta":{"origin":26573,"position":1},"title":"More on rescuing articles from a now defunct early pioneering example of an Internet journal.","author":"Henry Rzepa","date":"August 19, 2025","format":false,"excerpt":"Two years ago, I posted on the topic \"Internet Archeology: reviving a 2001 article published in the Internet Journal of Chemistry (IJC)\". The IJC had been founded in 1998, \u00a0in part at least to \"re-invent\" the scholarly journal by elevating research data to being a more integrated part of the\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":30276,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=30276","url_meta":{"origin":26573,"position":2},"title":"Molecules of the year 2025: Cyclo[48]carbon and others &#8211; the onset of bond alternation and the Raman Activity Spectrum.","author":"Henry Rzepa","date":"December 29, 2025","format":false,"excerpt":"The annual \"Molecules of the Year\" selections are available for the year 2025. A theme was elemental allotropes and one such was carbon in the form of C48\u00a0stabilised by formation of a catenane C48.M3 (M = red ligand below) - it was not possible however to crystallise C48.M3. When \"unmasked\"\u2026","rel":"","context":"In &quot;Interesting chemistry&quot;","block_context":{"text":"Interesting chemistry","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=4"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":28367,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=28367","url_meta":{"origin":26573,"position":3},"title":"Referencing and citing a science-based blog post.","author":"Henry Rzepa","date":"April 8, 2025","format":false,"excerpt":"Back in early 2012, I pondered about the relationships between a science-based blog post and a science-based journal article. This was in part induced by my discovering a blog plugin called Kcite, which allow a journal articles to be appended to the blog in the form of a numbered reference\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":29665,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=29665","url_meta":{"origin":26573,"position":4},"title":"Alternative reactions of the N\u2261N &#8220;triple bond&#8221; in a nitric oxide dimer: forming the trimer N3O3.","author":"Henry Rzepa","date":"September 3, 2025","format":false,"excerpt":"In the previous post I mooted the possibility that a high energy form of the dimer of nitric oxide 1 might nonetheless be able to be detected using suitable traps (such as hydrogenation or cycloaddition). 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