{"id":12194,"date":"2014-03-18T16:23:22","date_gmt":"2014-03-18T16:23:22","guid":{"rendered":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=12194"},"modified":"2014-03-19T13:22:46","modified_gmt":"2014-03-19T13:22:46","slug":"five-things-you-did-not-know-about-fork-handles","status":"publish","type":"post","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194","title":{"rendered":"Five things you did not know about (fork) handles."},"content":{"rendered":"<div class=\"kcite-section\" kcite-section-id=\"12194\">\n<p>OK, you have to be British to understand the pun in the title, a famous comedy skit about four candles. Back to science, and my mention of some crystal data now having a DOI in the <a title=\"The Amsterdam Manifesto and crystal structures.\" href=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=12182\" target=\"_blank\">previous post<\/a>. I thought it might be fun to replicate the contents of one of my ACS slides here.<\/p>\n<p>Firstly, a DOI is one implementation of a more generic (and quite old) concept known as a Handle. This is one form of a persistent digital identifier. Article DOIs have been in common use for at least ten years now, and even new chemistry students know about them!<sup>\u2021<\/sup> A DOI points to an article in a journal? Not quite as it happens, but in fact it could be a whole lot more that a DOI could lead to! Let me explain by showing you five examples:<\/p>\n<ol>\n<li><a href=\"http:\/\/doi.org\/10042\/26065\">doi.org\/10042\/26065<\/a> resolves to a <strong>landing page<\/strong>. Crucially, this is <b>NOT<\/b> the article itself, which may remain obstinately behind a paywall to which you have no access.<\/li>\n<li><a href=\"http:\/\/doi.org\/10042\/26065?locatt=filename:input.gjf\">doi.org\/10042\/26065?locatt=filename:input.gjf<\/a> resolves to a file <strong>input.gjf<\/strong> that may be present off the landing page, and hence allowing a machine action to retrieve it.<\/li>\n<li><a href=\"http:\/\/doi.org\/10042\/26065?locatt=mimetype:chemical\/x-gaussian-input\">doi.org\/10042\/26065?locatt=mimetype:chemical\/x-gaussian-input<\/a> resolves to the first file matching the MIME type that may be present off the landing page, and hence allowing a machine action to retrieve it.<\/li>\n<li><a href=\"http:\/\/doi.org\/10042\/26065?locatt=id:1\">doi.org\/10042\/26065?locatt=id:1<\/a> resolves to the\u00a0\u00a0first file matching ID=1 that may be present off the landing page, and hence allowing a machine action to retrieve it.<\/li>\n<li><a href=\"http:\/\/doi.org\/api\/10042\/26065\">doi.org\/api\/10042\/26065<\/a> will return the JSON-encoded full handle record for processing in Javascript, so that a machine now has access to all the information it might need to perform a machine action.<\/li>\n<\/ol>\n<p>Now, items 2-5 are not generally available; they work only on our servers. We have placed them there to show how item 6 of the Amsterdam Manifesto could be made to work. There are other ways of course. But you can see them in action here<span id=\"cite_ITEM-12194-0\" name=\"citation\"><a href=\"#ITEM-12194-0\">[1]<\/a><\/span> (the article is open access, so you should not get any paywall behaviour from the landing page).<\/p>\n<hr \/>\n<p><sup>\u2021<\/sup><b>Postscript<\/b>. A few days ago, I asked my group of 1st year undergraduate students how they might go about tracking down a<a href=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=3576&amp;cpage=1#comment-73590\" target=\"_blank\"> journal article<\/a> from its authors, the journal name and the page numbers. The most common reply was &#8220;Google it&#8221;. Next came &#8220;go to the library and find it on the shelves&#8221;. One replied &#8220;from its DOI&#8221; (that student had done an internship in a pharma company before joining us). I used to teach a <a href=\"https:\/\/wiki.ch.ic.ac.uk\/wiki\/index.php?title=Main_Page#First_Year_Chemical_Information_Lab_2012\" target=\"_blank\">chemical information course<\/a> here<span id=\"cite_ITEM-12194-1\" name=\"citation\"><a href=\"#ITEM-12194-1\">[2]<\/a><\/span> between 1996 &#8211; 2010 where this sort of stuff was a staple. That course is no longer taught. Hence the aforementioned replies!<\/p>\n<h2>References<\/h2>\n    <ol class=\"kcite-bibliography csl-bib-body\"><li id=\"ITEM-12194-0\">A. Armstrong, R.A. Boto, P. Dingwall, J. Contreras-Garc\u00eda, M.J. Harvey, N.J. Mason, and H.S. Rzepa, \"The Houk\u2013List transition states for organocatalytic mechanisms revisited\", <i>Chem. Sci.<\/i>, vol. 5, pp. 2057-2071, 2014. <a href=\"https:\/\/doi.org\/10.1039\/c3sc53416b\">https:\/\/doi.org\/10.1039\/c3sc53416b<\/a>\n\n<\/li>\n<\/ol>\n\n<\/div> <!-- kcite-section 12194 -->","protected":false},"excerpt":{"rendered":"<p>OK, you have to be British to understand the pun in the title, a famous comedy skit about four candles. Back to science, and my mention of some crystal data now having a DOI in the previous post. I thought it might be fun to replicate the contents of one of my ACS slides here. [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_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},"jetpack_post_was_ever_published":false},"categories":[2],"tags":[32,1164,59,1165,1166,1167],"ppma_author":[2661],"class_list":["post-12194","post","type-post","status-publish","format-standard","hentry","category-chemical-it","tag-acs","tag-doi","tag-google","tag-handle","tag-json","tag-locatt"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Five things you did not know about (fork) handles. - 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=12194\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Five things you did not know about (fork) handles. - Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"og:description\" content=\"OK, you have to be British to understand the pun in the title, a famous comedy skit about four candles. Back to science, and my mention of some crystal data now having a DOI in the previous post. I thought it might be fun to replicate the contents of one of my ACS slides here. [&hellip;]\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194\" \/>\n<meta property=\"og:site_name\" content=\"Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"article:published_time\" content=\"2014-03-18T16:23:22+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2014-03-19T13:22:46+00:00\" \/>\n<meta name=\"author\" content=\"Henry Rzepa\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Henry Rzepa\" \/>\n\t<meta name=\"twitter:label2\" content=\"Estimated reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"2 minutes\" \/>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Five things you did not know about (fork) handles. - Henry Rzepa&#039;s Blog","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194","og_locale":"en_GB","og_type":"article","og_title":"Five things you did not know about (fork) handles. - Henry Rzepa&#039;s Blog","og_description":"OK, you have to be British to understand the pun in the title, a famous comedy skit about four candles. Back to science, and my mention of some crystal data now having a DOI in the previous post. I thought it might be fun to replicate the contents of one of my ACS slides here. [&hellip;]","og_url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194","og_site_name":"Henry Rzepa&#039;s Blog","article_published_time":"2014-03-18T16:23:22+00:00","article_modified_time":"2014-03-19T13:22:46+00:00","author":"Henry Rzepa","twitter_card":"summary_large_image","twitter_misc":{"Written by":"Henry Rzepa","Estimated reading time":"2 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194#article","isPartOf":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194"},"author":{"name":"Henry Rzepa","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#\/schema\/person\/2b40f7b9c872a4dc1547e040a11b6281"},"headline":"Five things you did not know about (fork) handles.","datePublished":"2014-03-18T16:23:22+00:00","dateModified":"2014-03-19T13:22:46+00:00","mainEntityOfPage":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194"},"wordCount":473,"commentCount":5,"keywords":["ACS","DOI","Google","Handle","JSON","LOCATT"],"articleSection":["Chemical IT"],"inLanguage":"en-GB","potentialAction":[{"@type":"CommentAction","name":"Comment","target":["https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194#respond"]}]},{"@type":"WebPage","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194","url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194","name":"Five things you did not know about (fork) handles. - Henry Rzepa&#039;s Blog","isPartOf":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#website"},"datePublished":"2014-03-18T16:23:22+00:00","dateModified":"2014-03-19T13:22:46+00:00","author":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#\/schema\/person\/2b40f7b9c872a4dc1547e040a11b6281"},"breadcrumb":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194#breadcrumb"},"inLanguage":"en-GB","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog"},{"@type":"ListItem","position":2,"name":"Five things you did not know about (fork) handles."}]},{"@type":"WebSite","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#website","url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/","name":"Henry Rzepa&#039;s Blog","description":"Chemistry with a twist","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-GB"},{"@type":"Person","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#\/schema\/person\/2b40f7b9c872a4dc1547e040a11b6281","name":"Henry Rzepa","image":{"@type":"ImageObject","inLanguage":"en-GB","@id":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g370be3a7397865e4fd161aefeb0a5a85","url":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g","caption":"Henry Rzepa"},"description":"Henry Rzepa is Emeritus Professor of Computational Chemistry at Imperial College London.","sameAs":["https:\/\/orcid.org\/0000-0002-8635-8390"],"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?author=1"}]}},"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/pDef7-3aG","jetpack-related-posts":[{"id":13387,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=13387","url_meta":{"origin":12194,"position":0},"title":"How-open-is-it?","author":"Henry Rzepa","date":"February 12, 2015","format":false,"excerpt":"The title of this post refers to the site\u00a0http:\/\/howopenisit.org\/\u00a0 which is in effect a license scraper for journal articles. In the past 2-3 years in the UK, we have been able to make use of grants to our university to pay publishers to convert our publications into Open Access (also\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":16292,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=16292","url_meta":{"origin":12194,"position":1},"title":"Collaborative  FAIR data sharing.","author":"Henry Rzepa","date":"April 17, 2016","format":false,"excerpt":"I want to describe a recent attempt by a group of collaborators to share the research data associated with their just published article. I am here introducing things in a hierarchical form (i.e. not necessarily the serial order in which actions were taken). The data repository selected for the data\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":783,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=783","url_meta":{"origin":12194,"position":2},"title":"Capturing penta-coordinate carbon! (Part 1).","author":"Henry Rzepa","date":"September 22, 2009","format":false,"excerpt":"The bimolecular nucleophilic substitution reaction at saturated carbon is an icon of organic chemistry, and is better known by its mechanistic label, SN2. It is normally a slow reaction, with half lives often measured in hours. This implies a significant barrier to reaction (~15-20 kcal\/mol) for the transition state, shown\u2026","rel":"","context":"In &quot;Hypervalency&quot;","block_context":{"text":"Hypervalency","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=7"},"img":{"alt_text":"The Sn2 transition state","src":"https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2009\/09\/sn2.jpg?resize=350%2C200","width":350,"height":200},"classes":[]},{"id":12182,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12182","url_meta":{"origin":12194,"position":3},"title":"The Amsterdam Manifesto and crystal structures.","author":"Henry Rzepa","date":"March 18, 2014","format":false,"excerpt":"I have mentioned the Amsterdam manifesto before on these pages. It is worth repeating the eight simple principles: Data should be considered citable products of research. Such data should be held in persistent public repositories. If a publication is based on data not included with the article, those data should\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":"doi-x2","src":"https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2014\/03\/doi-x2.jpg?resize=350%2C200","width":350,"height":200,"srcset":"https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2014\/03\/doi-x2.jpg?resize=350%2C200 1x, https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2014\/03\/doi-x2.jpg?resize=525%2C300 1.5x"},"classes":[]},{"id":20669,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=20669","url_meta":{"origin":12194,"position":4},"title":"A search of some major chemistry publishers for FAIR data records.","author":"Henry Rzepa","date":"April 12, 2019","format":false,"excerpt":"In recent years, findable data has become ever more important (the F in FAIR). Here I test that F using the DataCite search service. Firstly an introduction to this service. This is a metadata database about datasets and other research objects. One of the properties is\u00a0relatedIdentifier which records other identifiers\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":21928,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=21928","url_meta":{"origin":12194,"position":5},"title":"Encouraging Submission of FAIR Data at the Journal of Organic Chemistry and Organic Letters","author":"Henry Rzepa","date":"February 14, 2020","format":false,"excerpt":"In a welcome move, one of the American chemical society journals has published an encouragement to submit what is called FAIR data to the journal.. A reminder that FAIR data is data that can be Found (F), Accessed (A), Interoperated(I) and Re-used( R). I thought I might try to explore\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":[]}],"jetpack_likes_enabled":false,"authors":[{"term_id":2661,"user_id":1,"is_guest":0,"slug":"admin","display_name":"Henry Rzepa","avatar_url":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g","0":null,"1":"","2":"","3":"","4":"","5":"","6":"","7":"","8":""}],"_links":{"self":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/12194","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=12194"}],"version-history":[{"count":5,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/12194\/revisions"}],"predecessor-version":[{"id":12203,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/12194\/revisions\/12203"}],"wp:attachment":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=12194"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=12194"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=12194"},{"taxonomy":"author","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fppma_author&post=12194"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}