![\"\"](\"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2026/08/Bildschirmfoto-2026-08-20-um-11.00.02.png\")
Starting this week the Rogue Scholar science blog archive collects citations of its blog posts using invenio-pidbox, the Python module for the InvenioRDM repository platform that I launched earlier this month, and replacing the integration that used the Crossref cited-by service launched in August 2025.
The reasons for this change are threefold:
invenio-pidbox uses a sqlite database to store scholarly metadata and uses the commonmeta-py Python library and its Rust bindings to query sqlite and integrate with the InvenioRDM repository platform that Rogue Scholar uses. The initial invenio-pidbox versions used the ROR and ORCID regular data dumps (135,710 organizations and 25,048,058 people, respectively) to generate author and organization profiles. With this release I started to also store Crossref and DataCite metadata in sqlite. Initially only the metadata for the blog posts in Rogue Scholar, so only tracking citations by other blog posts archived in Rogue Scholar, but the architecture allows me to scale to all 180 million Crossref DOIs and 120 million DataCite DOIs in their annual data dumps, and the about 2.4 billion references they contain, all in all about 2 TB of data. This sounds like a lot of data, but sqlite can easily handle this, and this is much easier and cheaper than importing all the metadata into Postgres and Opensearch, the database and search index used by InvenioRDM.
invenio-pidbox comes with a celery background worker task to extracts all Rogue Scholar citations out of sqlite and stores them as InvenioRDM metadata so that they can be shown and queried in Rogue Scholar. Blog post citations can be much faster than citations by journal articles, e.g. five days after the publication of the InvenioRDM v14 announcement:
Citations counts in Rogue Scholar are displayed for blogs, other communities, authors and institutions:
![\"\"](\"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2026/08/Bildschirmfoto-2026-08-20-um-11.08.46.png\")
Clicking on the citation count (here 58) opens a query for all cited blog posts. The DataCite blog is also an example for tracking citations of blog posts with DataCite DOIs, something that Rogue Scholar couldn't do until this week.
invenio-pidbox is an invenio module that should work with all InvenioRDM v14 instances, and besides Rogue Scholar they currently all use DataCite DOIs for their content, making this an attractive option for other InvenioRDM instances that have 2 TB disk space to spare \u2013 not S3 object storage as sqlite needs fast disk access.
Institution profiles are an interesting use case. Their main challenge is incomplete metadata, e.g only 137 of currently 683 posts in the Crossref blog have affiliation metadata. Affiliation metadata (using ROR) are more difficult than author metadata (using ORCID), as affiliations have a start and end date, and authors can have multiple affiliations in parallel.
![\"\"](\"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2026/08/Bildschirmfoto-2026-08-20-um-11.20.01.png\")
But with 300 million DOIs for works from Crossref and DataCite stored in sqlite in commonmeta format it becomes much easier to extract that information at scale, not limited by API rate-limits or differences between Crossref and DataCite metadata.
Please reach out via Slack, email, Mastodon, or Bluesky if you have any questions or comments.
InvenioRDM v14.0 was just released on August 7th 2026, and it's jam-packed with features, improvements and fixes! This is a big one, so let's get into it.
\nWant to see it in action? Go to the demo site. If you want to install it, follow the installation instructions!
\nSee the full release notes for all the details, and the upgrade guide for instructions on how to upgrade from your v13 instance to v14.
\nAdministrators can now manage user roles directly from the administration panel.
\n\n![\"Manage](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/manage-user-roles-dropdow-menu.png\")
\n
Users can request to become members of communities directly. This feature is opt-in per community and feature-gated at the instance level.
\n\n![\"Request](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/community-request-membership.png\")
\n
It is now possible to require a review for all record versions, subject to custom code on the instance level.
\nDOI registration with Crossref, instead of or in addition to DataCite, is possible. Crossref has a different metadata schema than DataCite and supports textual content types such as journal articles, books, conference proceedings, preprints, posters or dissertations.
\nYou can now allow users to modify the files of their published records, in accordance with your policies. When enabled, the record's owner can unlock file editing within the first 30 days of publication and modify them within 45 days (by default).
\n\n![\"Showing](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/file-modification.png\")
\n
You can specify a default amount of extra storage for files which users can spread across their records, allowing them to selectively use their volume budget for extra large records.\nAdditionally users can view the extra quota which they have used across their records in the new storage page in their settings.
\n\n![\"Storage](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/storage-settings.jpg\")
\n
Preview GeoJSON files uploaded by users directly on an interactive map rendered with Leaflet and OpenStreetMap tiles.
\n\n![\"GeoJSON](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/geojson.jpg\")
\n
The new previewer automatically detects and displays GeoJSON files as maps within the existing JSON file previewer. When users upload a GeoJSON file, it will be rendered as an interactive map instead of raw JSON.
\nYou can also preview web archives (WACZ, WARC, HAR, CDX, CDXJ) using an embedded ReplayWeb.page viewer.
\nJobs can now send email notifications to configured recipients when runs complete with specific statuses. This enables administrators and librarians to be automatically informed about the outcome of scheduled or manually triggered jobs.
\nWe have aligned the core metadata schema and vocabularies with the latest additions from DataCite Schemas v4.5, v4.6 and v4.7. The goal is to adopt relevant updates that benefit InvenioRDM instances while strictly limiting breaking changes to ensure a smooth upgrade path. Additional breaking changes will happen in a future release.
\nList of changes:
\npublication-thesis) and \"Publication / Dissertation\" (id publication-dissertation) were merged into the former, which has been mapped to the resource type Dissertation in DataCite.Poster, Presentation, and Study Registration to the depositable default resource types. Added Project and Instrument to the linkable default resource types.IsTranslationOf, HasTranslation, IsCollectedBy, Collects, and Other to the default relation types. Added the new contributor type Translator and the new date type Coverage to their respective default vocabularies.CSTR (Science and Technology Resource Identifier) and RRID (Research Resource Identifier) as identifiable related identifiers.identifiers field to alternateIdentifiers and moved the doi identifier to its own field.The modern build toolchain introduced as experimental in v13 is now considered stable and ready for adoption:
\npipenv for Python dependency management.npm for JavaScript dependency management, with faster installs and a disk-efficient content-addressable store.webpack for asset bundling, with Rust-based builds that are much faster and drop-in compatible with the existing Invenio asset pipeline.We've added a few small but crucial improvements to our OAuth implementation, improving security and bringing Invenio's third-party authentication in line with modern standards.
\nWhen customizing InvenioRDM, you often need the UI component ID to override. Developer mode now highlights all overridable components on a page, making it easy to find the ID you need.
\n\n![\"Metadata-only](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/metadata_id_overlay.png\")
\n
We've enhanced support for ZIP files and introduced a flexible framework for handling other similar container formats (e.g., NetCDF, TAR). Users can now explore and access files inside archives without downloading them entirely, making large datasets easier to work with.
\n\n![\"ZIP](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/container-file-formats.png\")
\n
InvenioRDM v14 introduces an interactive publication date facet on the search\npage. Users can filter records by year using a histogram and range slider, or\npick from preset ranges (last 6 months, last year, last 5 years) and enter a\ncustom date range.
\n\n![\"Publication](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/publication-date-range-facet.png\")
\n
You can now configure InvenioRDM to allow users to delete, or request deletion of, their own published records in accordance with any policy or criteria you may have. When enabled, the default behavior is that records can be deleted within 30 days of publication. After, the deletion can be requested to the repository's administrators. Deletion requests are visible within the administration panel and the user's request dashboard.
\n\n![\"Modal](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/deletion-modal.png\")
\n
This feature is highly customizable. You can introduce deletion policies based on resource type, community role, file type, or any other criteria you require. Additionally, you can prevent unnecessary record deletion by adding a deletion checklist that suggests how users can resolve the issue correctly instead of deleting the record.
\nWe've introduced a number of exciting new features to improve the commenting experience on requests, which are currently used across InvenioRDM for a range of purposes such as community record submission.\nYou can now:
\n\n![\"A](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/attached-file-comment.png\")
\n
Software releases can now be archived not only from GitHub, but also from other code forges such as GitLab and GitHub Enterprise.\nThe new invenio-vcs module replaces the existing invenio-github module with a nearly identical end-user experience while adding support for a generic code forge interface.
\n![\"GitLab](\"https://inveniosoftware.org/assets/images/blog-posts/invenio-rdm-14/gitlab.jpg\")
\n
See the full list of all additions.
\nMake sure to read the Breaking Changes section in the release notes.
\nInvenioRDM v14 requires:
\nIf you have questions related to the InvenioRDM v14.0 release, don't hesitate to jump on Discord and ask us!
\nThe development of this release wouldn't have been possible without the help of these smart people (name or GitHub handle, alphabetically sorted):
\n![\"en_tete\"](\"http://zotero.hypotheses.org/files/2018/10/2009_Woodtype-300x200.jpg\")
Auteur : Grant Hutchinson – CC BY-NC-ND – Source : https://www.flickr.com/photos/splorp/3642228449
Ce billet rassemble les traductions des deux derniers billets publi\u00e9s sur le blog Zotero.
\nStillman Dan, Improved PDF retrieval with Unpaywall integration, https://www.zotero.org/blog/improved-pdf-retrieval-with-unpaywall-integration/, 9 octobre 2018.
\nStillman Dan, Zotero Comes to Google Docs, https://www.zotero.org/blog/google-docs-integration/, 19 octobre 2018.
\nEn tant qu’organisation dont la mission est le d\u00e9veloppement d’outils de recherche gratuits et libres, nous nous soucions profond\u00e9ment du libre acc\u00e8s \u00e0 la recherche. Avec la derni\u00e8re version de Zotero, nous sommes ravis de rendre plus facile que jamais la recherche de fichiers PDF pour les \u00e9l\u00e9ments de votre biblioth\u00e8que Zotero.
\n\n\n\nSi Zotero a toujours \u00e9t\u00e9 en mesure de t\u00e9l\u00e9charger automatiquement des fichiers PDF lorsque vous enregistrez des \u00e9l\u00e9ments \u00e0 partir d’une page Web, ces fichiers PDF sont souvent soumis \u00e0 un acc\u00e8s payant par les \u00e9diteurs, les mettant hors de port\u00e9e de nombreuses personnes.
\n\n\n\nArrive Unpaywall, une base de donn\u00e9es d’articles accessibles l\u00e9galement en texte int\u00e9gral, h\u00e9berg\u00e9s par des \u00e9diteurs et des serveurs de publications partout dans le monde. A partir de Zotero 5.0.56, si vous enregistrez un \u00e9l\u00e9ment \u00e0 partir d’une page Web sur laquelle Zotero ne peut pas trouver ou acc\u00e9der \u00e0 un PDF, Zotero recherchera automatiquement un PDF en libre acc\u00e8s \u00e0 partir des donn\u00e9es de Unpaywall.
\n\n\n\n\n\n![\"oa-save-popup\"](\"http://zotero.hypotheses.org/files/2018/10/oa-save-popup.png\")
Il peut faire de m\u00eame lorsque vous utilisez “Saisir un identifiant \u00e0 ajouter \u00e0 votre biblioth\u00e8que” pour cr\u00e9er un nouvel \u00e9l\u00e9ment. Une nouvelle option “Trouver un PDF disponible”, accessible depuis le menu contextuel d’un \u00e9l\u00e9ment de votre biblioth\u00e8que, vous permet de r\u00e9cup\u00e9rer le PDF correspondant pour l’\u00e9l\u00e9ment s\u00e9lectionn\u00e9.
![\"findpdf\"](\"http://zotero.hypotheses.org/files/2018/10/findPDF.png\")
Nous utilisons notre propre service de recherche pour ces recherches, sans enregistrer le contenu des requ\u00eates.
Unpaywall est produit par Impactstory, une organisation \u00e0 but non lucratif dont la mission est de rendre la recherche scientifique plus ouverte, accessible et r\u00e9utilisable, et nous sommes fiers de soutenir leur travail en nous abonnant au flux de donn\u00e9es Unpaywall.
\n\n\n\nZotero peut \u00e9galement d\u00e9sormais tirer un meilleur parti des fichiers PDF disponibles par le biais des abonnements institutionnels. Lorsque vous utiliserez “Saisir un identifiant \u00e0 ajouter \u00e0 votre biblioth\u00e8que” ou “Trouver un PDF disponible”, Zotero chargera la page associ\u00e9e au DOI ou \u00e0 l’URL de l’\u00e9l\u00e9ment et tentera de trouver un PDF \u00e0 t\u00e9l\u00e9charger avant de rechercher des versions en libre acc\u00e8s. Cela fonctionnera si vous avez un acc\u00e8s direct ou VPN au PDF. Si vous passez par un proxy web, seuls les fichiers PDF en acc\u00e8s libre seront automatiquement r\u00e9cup\u00e9r\u00e9s \u00e0 l’aide de cette nouvelle fonctionnalit\u00e9. Vous pouvez continuer \u00e0 enregistrer des \u00e9l\u00e9ments avec des PDF sous acc\u00e8s payant depuis votre navigateur \u00e0 l’aide du connecteur Zotero.
\n\n\n\nSi vous souhaitez que Zotero utilise d’autres sources de fichiers PDF, vous pouvez \u00e9galement configurer des r\u00e9solveurs PDF personnalis\u00e9s.
\n\n\n\nPassez \u00e0 Zotero 5.0.56 et Zotero Connector 5.0.41 d\u00e8s aujourd’hui pour commencer \u00e0 utiliser ces nouvelles fonctionnalit\u00e9s.
\nNous sommes ravis d’annoncer la disponibilit\u00e9 de l’int\u00e9gration de Zotero avec Google Docs, rejoignant ainsi le support existant de Zotero pour Microsoft Word et LibreOffice.
\nLa m\u00eame puissante fonctionnalit\u00e9 que Zotero offre depuis longtemps pour les traitements de texte traditionnels est maintenant disponible pour Google Docs. Vous pouvez rapidement rechercher des documents dans votre biblioth\u00e8que Zotero, ajouter des num\u00e9ros de page et d’autres pr\u00e9cisions, et ins\u00e9rer des citations. Lorsque vous avez termin\u00e9, un simple clic permet d’ins\u00e9rer, \u00e0 partir des citations de votre document, une bibliographie mise en forme. Zotero prend en charge les exigences de style complexes telles que Ibid. et la d\u00e9sambigu\u00efsation des noms, et met \u00e0 jour vos citations et votre bibliographie en fonction des changements que vous apportez aux documents de votre biblioth\u00e8que. Si vous avez besoin de changer de style bibliographique, vous pouvez facilement remettre en forme votre document entier selon l’un des 9 000 styles bibliographiques pris en charge par Zotero.
\nLa compatibilit\u00e9 avec Google Docs est un \u00e9l\u00e9ment du connecteur Zotero pour Chrome et Firefox, qui ajoute un nouveau menu Zotero \u00e0 l’interface Google Docs :
\n![\"gdocs-menu\"](\"http://zotero.hypotheses.org/files/2018/10/gdocs-menu.png\")
Il ajoute \u00e9galement un bouton dans la barre d’outils pour les citations en un seul clic :
\n![\"gdocs-toolbar\"](\"http://zotero.hypotheses.org/files/2018/10/gdocs-toolbar.png\")
Lorsque vous commencez \u00e0 utiliser Zotero dans un document, vous devez d’abord l’authentifier avec votre compte Google. Vous pouvez alors commencer \u00e0 ins\u00e9rer les citations \u00e0 partir des biblioth\u00e8ques Zotero locales de votre ordinateur, tout comme vous pouvez le faire avec Word et LibreOffice.
Une fois que vous avez termin\u00e9 votre document et \u00eates pr\u00eat \u00e0 le soumettre, utilisez File \u2192 “Make a copy…” et, dans le nouveau document, utilisez Zotero \u2192 “Unlink Citations” pour convertir les citations et la bibliographie en texte simple. Vous pouvez ensuite t\u00e9l\u00e9charger ce second document au format PDF ou dans un autre type de fichier, tout en conservant les citations actives dans le document original, au cas o\u00f9 vous auriez besoin d’effectuer des modifications ult\u00e9rieurement. Zotero vous demandera de cr\u00e9er une copie si vous essayez de t\u00e9l\u00e9charger votre document original.
\nZotero et Google Docs constituent une combinaison parfaite pour les gens qui \u00e9crivent ensemble. Les groupes Zotero sont un excellent moyen de collecter et de g\u00e9rer les documents d’un projet partag\u00e9, et l’int\u00e9gration de Google Docs vous permet, ainsi qu’\u00e0 vos co-auteurs, d’ins\u00e9rer et de modifier des citations dans un document partag\u00e9. Les groupes sont gratuits et peuvent comporter un nombre illimit\u00e9 de membres, vous pouvez donc collaborer avec autant de personnes que vous le souhaitez.
\nLe fait de citer des documents provenant de la m\u00eame biblioth\u00e8que permet \u00e0 tous d’apporter des modifications aux \u00e9l\u00e9ments dans Zotero et de faire appara\u00eetre ces modifications dans le document. Si toutefois vous ne voulez pas travailler \u00e0 partir d’un groupe, cela va tr\u00e8s bien aussi. Zotero peut g\u00e9n\u00e9rer des citations et des entr\u00e9es bibliographiques correctes, m\u00eame pour les documents que chacun ajoute \u00e0 partir de sa propre biblioth\u00e8que.
\nPr\u00eat \u00e0 l’essayer ? Ouvrez un document dans Google Documents et recherchez le menu Zotero. Si vous ne le voyez pas, assurez-vous d’avoir install\u00e9 la version 5.0.42 du connecteur Zotero pour Chrome ou Firefox.
\nConsultez notre documentation pour en savoir plus sur l’utilisation de Zotero avec Google Docs.
\nSi vous rencontrez des probl\u00e8mes, faites-le nous savoir sur les forums Zotero.
","doi":"https://doi.org/10.59350/svy34-9h061","guid":"http://zotero.hypotheses.org/?p=2130","image":"https://zotero.hypotheses.org/files/2018/10/2009_Woodtype.jpg","language":"fr","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1540166400,"rid":"749n6-3ga15","summary":"Auteur : Grant Hutchinson \u2013 CC BY-NC-ND \u2013 Source : https://www.flickr.com/photos/splorp/3642228449 Ce billet rassemble les traductions des deux derniers billets publi\u00e9s sur le blog Zotero. Stillman Dan, Improved PDF retrieval with Unpaywall integration , https://www.zotero.org/blog/improved-pdf-retrieval-with-unpaywall-integration/, 9 octobre 2018.","tags":["Actualit\u00e9s"],"title":"Int\u00e9grations Unpaywall et Google Docs","updated_at":1789396054,"url":"https://zotero.hypotheses.org/2130","version":"v1"}},{"document":{"authors":[{"affiliation":[{"name":"Front Matter"}],"contributor_roles":[],"family":"Fenner","given":"Martin","url":"https://orcid.org/0000-0003-1419-2405"}],"blog":{"authors":[{"name":"Martin Fenner","url":"https://orcid.org/0000-0003-1419-2405"}],"community_id":"15a362ea-8138-42b8-917f-1840a92addf8","created":1672531200,"current_feed_url":null,"description":"The Front Matter Blog covers the intersection of science and technology since 2007.","doi":"https://doi.org/10.53731/front_matter","favicon":"https://rogue-scholar.org/api/communities/15a362ea-8138-42b8-917f-1840a92addf8/logo","feed_format":"application/atom+xml","feed_url":"https://blog.front-matter.de/atom","filter":null,"generator":"Ghost","home_page_url":"https://blog.front-matter.de/","issn":"2749-9952","language":"eng","license":"https://creativecommons.org/licenses/by/4.0/legalcode","prefix":"10.53731","relative_url":null,"secure":true,"slug":"front_matter","status":"active","subfield":"1710","title":"Front Matter","updated":1788787489,"use_api":true},"blog_name":"Front Matter","blog_slug":"front_matter","content_html":"The Rogue Scholar science blog archive uses DOIs to uniquely identify blog posts with meaningful metadata. This enables tracking citations of scholar blog posts in the scholarly literature using traditional citation tracking methods rather than altmetrics. Initially launched as a Rogue Scholar service six months ago, citation tracking has launched to production this week.
The following features are now available:
![\"\"](\"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2025/08/Bildschirmfoto-2025-08-04-um-11.24.58.png\")
![\"\"](\"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2025/08/Bildschirmfoto-2025-08-04-um-11.22.34.png\")
![\"\"](\"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2025/08/Bildschirmfoto-2025-08-04-um-11.19.25.png\")
![\"\"](\"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2025/08/Bildschirmfoto-2025-08-04-um-11.15.58.png\")
The Altmetrics manifesto stated in 2010 that
Altmetrics are fast, using public APIs to gather data in days or weeks. They're open \u2013 not just the data, but the scripts and algorithms that collect and interpret it.
In the past 15 years we have seen that the tools and services around altmetrics have taken a different path: altmetrics data from sources like Twitter, Facebook or Mendeley never really became open, and neither did the services aggregating and showing them, or the algorithms aggregating and interpreting them. Efforts like PLOS Article-Level Metrics (where I was the technical lead from 2012 to 2015) or Crossref and DataCite Event Data tried hard but ultimately failed because the data sources were not open, and social media feeds were increasingly driven by algorithms. This social media platform decay was coined enshittification by Cory Doctorow in November 2022.
Rogue Scholar is trying a different approach. Instead of altmetrics as a filter to make sense of the scholarly literature, it helps scholarly blogs to become part of the scholarly literature. Rogue Scholar applies the concepts of persistent identifiers (DOI, ORCID, ROR), standardized metadata (Crossref, DataCite), Open Data and Open Access (CC-BY licenses for all content, OSI-approved licenses for all software), and even experiments with peer review. And it now adds citation tracking. Blog posts are rarely cited in the scholarly literature, but that is more about current citation practices than the ability to do so.
Crossref is smart enough to figure out that links to blog post URLs in reference lists are conceptually the same as citing a DOI, and that is why Rogue Scholar can find citations to Rogue Scholar blog posts published long before these blogs joined Rogue Scholar. Open Access News was published 2003-2010 and joined Rogue Scholar in 2025, and Crossref finds 22 citations in the scholarly literature to its blog posts.
Blog posts are typically published much faster than scholarly articles or even preprints. That is why the post on the Crossref blog announcing that the blog started assigning DOIs to all its posts published in June already has two citations two weeks later, both from Rogue Scholar blogs.
Citation tracking of course has limitations. I am not talking using citation counts as a proxy for scientific impact, but rather about technical limitations of automated citation tracking. The main challenge is that only citations that show up in reference lists with an identifier (DOI or URL) and where the reference list is openly made available to Crossref (I4OC) are found.
Another challenge is that automated workflows make mistakes \u2013 for this reason, Rogue Scholar can exclude falsely linked citations, and has occasionally done so. Please reach out if you find a citation in Rogue Scholar that is not found in the reference list of the citing scholarly work.
Rogue Scholar registers Crossref DOIs for blog posts but also includes blogs that register their DOIs using DataCite. Less than 10 blogs of the currently 168 Rogue Scholar blogs do so, and I currently have no easy way to collect citations for these blog posts. DataCite has a similar service to Crossref Cited-by, but the citing scholarly literature is currently mostly in Crossref. Third-party services such as OpenAlex also show the citations of the Crossref blog post mentioned above, but OpenAlex currently has only limited support for scholarly blog posts registered by DataCite.
I hope that the new citation tracking service encourages Rogue Scholar bloggers to publish more blog posts with references (currently only 4.98 % of posts), as references and citations are closely connected (how to include references in blog posts is documented here). And I hope that readers of Rogue Scholar blog posts discover interesting scholarly works through the citation tracking service. 460 of the 1370 Rogue Scholar citations are also blog posts, but the most popular citing content type is journal article:
Please use Slack, email, Mastodon, or Bluesky if you have any questions or comments regarding the Rogue Scholar citation tracking service.
2008 fiel der Startschuss f\u00fcr Allianz-Lizenzen im Pilotprojekt Nationallizenzen f\u00fcr laufende Zeitschriften durch die Deutsche Forschungsgemeinschaft (DFG) als F\u00f6rderinstitution. Die ersten drei Finanzierungsjahre f\u00fcr aktuelle Zeitschriftenpakete konnten von der TIB mit den Fachgesellschaften des American Institute of Physics (AIP), dem Institute of Physics (IOP) und der Royal Society of Chemistry (RSC) ausgehandelt werden. Sie deckten damit zwei der Kernf\u00e4cher der TIB ab \u2013 Chemie und Physik. Mehr als 130 Hochschulen und \u00fcberwiegend \u00f6ffentlich gef\u00f6rderte Forschungseinrichtungen sowie deren Wissenschaftlerinnen und Wissenschaftler erhielten Zugang zu aktueller, qualifizierter, fachspezifischer Literatur unter anteiliger Bezuschussung durch die DFG.
\n![\"\"](\"https://blog.tib.eu/wp-content/uploads/2024/05/1714114086533_Auszug_Poster_Evaluierung_Nationale_Lizenzierung_Bildrechte_Fragezeichen-169x300.jpg\")
In den nachfolgenden Jahren des LIS F\u00f6rderprogramms \u2013 \u00dcberregionale Lizenzierung [1] kamen weitere Fachgebiete hinzu: Ingenieurwissenschaften (SPIE Digital Library), Architektur (Detail inspiration) und Werkstoffwissenschaften (Scientific.Net) und Biochemie (Biochemical Society Journals). Neben Zeitschriften wurden E-Book-Pakete und Datenbanken angeboten.
Der Paketinhalt verkleinerte sich, E-only-basierte, rabattierte Preisgestaltungen r\u00fcckten in den Fokus. Nutzungsrechte wurden im Hinblick auf dauerhafte Zugriffsrechte, Archivierungs- und Hostingrechte sowie Moving Walls ausgehandelt und erweitert. Die eigens konzipierte Musterlizenz diente als wichtiges Werkzeug f\u00fcr die Umsetzung in der Praxis.
\nZus\u00e4tzlich wurden Verlage und Fachgesellschaften mit der Forderung zum Open-Access-Zweitver\u00f6ffentlichungsrecht, dem Green Open Access, konfrontiert. Autorinnen und Autoren sowie deren Institutionen sollten die Berechtigung erhalten, ihren Artikel als Post-Peer-Reviewed-Version oder Verlags-PDF in einem institutionellen oder disziplinspezifischen Repositorium zu ver\u00f6ffentlichen. In den ersten Jahren musste eine sechs- bis zw\u00f6lfmonatige Sperrfrist (Embargo) eingehalten werden, sp\u00e4ter entfiel diese Frist ganz. 2016 begann durch eine Kooperation von Verb\u00fcnden, Universit\u00e4tsbibliotheken und einer Forschungsgemeinschaft der Aufbau von DeepGreen, der heutigen Datendrehscheibe f\u00fcr Open-Access-Repositorien. [2]
\nZun\u00e4chst galt es, mit dem Anbieter ein tragf\u00e4higes Angebot unter Ber\u00fccksichtigung der Grunds\u00e4tze f\u00fcr den Erwerb DFG-gef\u00f6rderter \u00fcberregionaler Lizenzen auszuhandeln. Mittels einer Online-Umfrage unter allen berechtigten Forschungs- und Bildungseinrichtungen konnte der deutschlandweite Bedarf erhoben und eine Kostenkalkulation mit prognostizierter Teilnehmeranzahl erstellt werden. Diese bildete die Grundlage f\u00fcr die F\u00f6rderh\u00f6he. An einer moderaten Preisentwicklung, Cost-Per-Download, einer transparenten Preisstruktur und letztlich eines innovativen Lizenzmodells wurde der Antrag gemessen und von Fachgutachtern der DFG als f\u00f6rderf\u00e4hig eingestuft.
\n![\"\"](\"https://blog.tib.eu/wp-content/uploads/2024/05/1714116216389_Bild_Katrin_Schroeter-scaled-e1715942459949-287x300.jpg\")
Die T\u00e4tigkeiten, die in diesem Zusammenhang anfielen, waren vielf\u00e4ltig: von der \u00dcberwachung der F\u00f6rdergelder und der anteiligen Rechnungsstellung (75 Prozent finanzielle Eigenbeteiligung der Bibliotheken) \u00fcber die Bearbeitung von Zugriffsschwierigkeiten bis zur Erschlie\u00dfung in Katalogen der EZB, DBIS und ZDB sowie im Nationallizenzportal. Au\u00dferdem mussten Auswertungen in Form von DFG-Zwischen- und Endberichten formuliert werden.
Seit 2008 bewilligte die DFG der Technischen Informationsbibliothek 14 Allianz-Lizenzen bzw. F\u00f6rderperioden verteilt auf acht Lizenzprodukte von insgesamt sieben Anbietern. [3]
\n![\"\"](\"https://blog.tib.eu/wp-content/uploads/2024/05/2025-05-06_Blogbeitrag_Allianz-Lizenzen_Tabelle_Verzeichnis_der_Allianz-Lizenzen_von_2008_bis_2023-e1715949598444-300x204.png\")
Das LIS-F\u00f6rderprogramm erm\u00f6glichte die Aushandlung von Hostingrechten f\u00fcr Vertragspartner und Lizenznehmer auf eigenen Servern oder den Servern Dritter. Die Sicherung von Metadaten und ihren Volltexten auf TIB-Servern und die Einbindung ins TIB-Portal kann am Beispiel von Detail inspiration exemplarisch eingesehen werden.
\nInsgesamt wurden an der TIB mittels Moving Wall und L\u00fcckenerg\u00e4nzungen sechs Nationallizenzen aufgebaut bzw. um aktuelle Jahrg\u00e4nge erweitert.
\nAus nahezu allen Allianz-Lizenzen der TIB haben sich tragf\u00e4hige nationale TIB-Konsortien gebildet, die von fachlicher Relevanz sind und einen rabattierten Bezug erm\u00f6glichen. Sie sind \u00fcber den GASCO-Monitor recherchierbar.
\nBei sechs Lizenzprodukten, die ehemals als Allianz-Lizenzen F\u00f6rderung erhalten haben, konnte der Transformationsprozess [4] gemeinsam mit den Verlagen vorangetrieben werden, so dass heute mehrj\u00e4hrige Read-&-Publish-Vertr\u00e4ge existieren.
\nMit der Fachgesellschaft RSC wurde der Weg zur Open-Access-Transformation bereits als Allianz-Lizenz eingeschlagen, da mit dem Vertrag f\u00fcr die Jahre 2014 bis 2016 nicht nur Leserechte, sondern auch Voucher f\u00fcr kostenfreie Publikationen von Artikeln verbunden waren, also eine Fr\u00fchform von Read & Publish \u2013 der erste Konsortialvertrag dieser Art in Deutschland. Es folgten weitere Vertr\u00e4ge und Modelle mit RSC und f\u00fcr 2028 ist die Transformation der RSC-Zeitschriften in Gold Open Access Zeitschriften in Sicht.
\nMit IOP erfolgte 2019 der erste transformative Vertragsabschluss f\u00fcr die IOP Journals. Zwei bzw. drei Jahre sp\u00e4ter wurden nationale OA-Transformationsangebote mit AIP, SPIE und Portland Press verhandelt. Der j\u00fcngste Read & Publish-Vertrag wurde mit Trans Tech Publications f\u00fcr die Datenbank Scientific.Net ab 2024 geschlossen.
\n![\"\"](\"https://blog.tib.eu/wp-content/uploads/2024/05/2025-05-06_Blogbeitrag_Allianz-Lizenzen_Tabelle_Read_u_Publish_Vertraege-1-e1715949645847-300x137.png\")
Auch andere zukunftsweisende Open Access Modelle wie Diamond Open Access finden an der TIB Anwendung und k\u00f6nnen dem TIB-News-Beitrag unter Mehr Open Access in TIB-gef\u00fchrten Konsortien und der Webseite Open Access in TIB-Konsortien entnommen werden.
\n[1] Heidler, R., & Holzer, A. (2021). \u00dcberregionale Lizenzierung: Bilanz eines DFG-F\u00f6rderprogramms.\u00a0O-Bib. Das Offene Bibliotheksjournal / Herausgeber VDB,\u00a08(2), 1\u201324. https://doi.org/10.5282/o-bib/5707
\n[2] Boltze, J., H\u00f6llerl, A., Kuberek, M., Lohrum, S., Pampel, H., Putnings, M., Retter, R., Rusch, B., Sch\u00e4ffler, H., & S\u00f6llner, K. (2022). DeepGreen: Eine Infrastruktur f\u00fcr die Open-Access-Transformation.\u00a0O-Bib. Das Offene Bibliotheksjournal / Herausgeber VDB,\u00a09(1), 1\u201313. https://doi.org/10.5282/o-bib/5764
\n[3] Vosberg, D. (2018). 10 Jahre Allianz-Lizenzen an der TIB \u2013 ein kurzer Blick zur\u00fcck. TIB-Blog. https://blog.tib.eu/2018/12/13/10-jahre-allianz-lizenzen-an-der-tib-ein-kurzer-blick-zurueck/
\n[4] Wissenschaftsrat (2022): Empfehlungen zur Transformation des wissenschaftlichen Publizierens zu Open Access; K\u00f6ln. https://doi.org/10.57674/fyrc-vb61
\n
With the surge of Large Language Models (LLMs) nowadays, there is a rising trend among developers to use Large Language Models to assist their daily code writing. Famous products include GitHub Copilot or simply ChatGPT. However, just like those codes written by human developers, code generated by LLMs can sometimes have a lot of security risks as well. For example, there is a popular one called \"Out-of-bounds Write\", which may allow attackers to write malicious information into the computer memory for some potential criminal activities.
In this post, we introduce some of the latest efforts in assessing the security of the code generated by Large Language Models so that one can have some basic ideas about how unreliable such models can be in general cases or when given some specific tasks.
Common Weakness Enumeration (CWE) is a system operated by MITRE that categorises security vulnerabilities, including over 400 categories regarding software security risks. For example, the security risk \"Out-of-bounds Write\" mentioned earlier is assigned to \"CWE-787\". By using CWE as the metric for evaluating the security risk of the generated code, one can easily analyse a group of security vulnerabilities in a systematic way.
In a recent research, to gain insight into the question \"Are GitHub Copilot's suggestions commonly insecure\", GitHub Copilot's generated code was evaluated regarding a subset of MITRE's CWEs. To be more specific, Copilot's behaviour is studied along three dimensions, including diversity of weakness, diversity of prompt and diversity of domain. GitHub Copilot is a code completion tool developed by GitHub and OpenAI that assists users of Visual Studio Code, Visual Studio, Neovim, and JetBrains integrated development environments (IDEs) by autocompleting code.
For the diversity of weakness, three different scenarios for each applicable \"top 25\" CWEs were constructed as small, incomplete programs waiting to be filled out by Copilot. As code evaluation, CodeQL software scanning was used along with manual inspection to assess whether the suggestions returned were vulnerable to that CWE.
Next, for the diversity of prompt, the effect that different prompts (aka the input we give to the model) have on how likely Copilot is to return suggestions that are vulnerable to a selected CWE (e.g. SQL injection) are assessed.
Eventually, for the diversity of domain, the security of the code generated by Copilot is also assessed by focusing on the Copilot's behaviour when it is tasked with a new domain added to CWEs, such as code written in another programming language.
In this case, Copilot's response to these scenarios is mixed from a security standpoint, where around 40% of the generation results are found to be vulnerable.
Apart from general systematic testing, user studies were also actively conducted to assess the security of the generated code. Recently, a security-driven user study to assess code written by student programmers when assisted by LLMs was conducted.
Students for this study were recruited through social media and split randomly into 'control' (no LLM access) and 'assisted' (with LLM access) groups. They were prompted to complete a shopping list program implementation in C. C was chosen here since a majority of security risks are memory-based issues in low level languages such as C/C++).
An LLM called code-cushman-001 was used in this study to help the students in the assisted group due to its fast speed to operate and its similar response time to GitHub Copilot. After generating the function, compilation would be checked and another completion would be requested if the result fails. To analyse the results, standard statistical hypothesis tests were used to provide evidence-based conclusions. Hypothesis Testing is a type of statistical analysis in which assumptions about a population parameter are put to the test. It is used to estimate the relationship between 2 statistical variables.
By examining the completed code for functionality and security, using manual and automated methods regarding a list of CWEs, the study found that the security impacts are minimal in this setting of using LLMs for code generation assistance. Existing findings on the productivity benefits of AI assistance were confirmed. They also found that the AI-assisted group produced security-critical bugs at a rate no greater than 10% higher than the control group (non-assisted). When investigating the origin of bugs within the assisted users, 63% of the bugs originated in code written by humans and 36% of the bugs were present in the taken suggestions.
The use of Large Language Models has witnessed significant advancement in multiple directions, especially when they are used in assisting code implementation. However, code generated by Large Language Models can have some potential security risks. In this post, we discussed the latest effort in assessing the security of the code generated by large language models, ranging from systematic testing to user studies. Through continuous investigation and refinement, we believe that the use of Large Language Models can open up exciting opportunities for us in code generation.
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\nAn investigation of the kinetics of the reaction between titanocene pentasulfide and sulfenyl chloride[1] leading to the formation of the S7 allotrope of sulfur was accompanied by supporting DFT calculations which led to the conclusion\u00a0that of five possible\u00a0mechanisms for the reaction, the most probable corresponded to a variant of the concerted \u03c3-bond metathesis (Scheme 1, Mechanism IV, R = Cl). Here we take a closer look at the DFT predictions from the point of view of the impact of continuum solvation on the calculated mechanism.
\n\n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/Scheme-1_v6.svg\")
Scheme 1. \u00a0Possible reaction mechanisms.
\nThe original study used the new r2scan-3c/Def2-mTZVPP composite DFT functional[2] as implemented in the ORCA 6 program code,[3] for which the (gas phase) mechanistic reported pathway was obtained as shown in scheme 2 below. Here, we re-label the succeeding steps as TS3\u00a0and TS4 (see Scheme 3 below, rather than TS2 from scheme 2) to form the final product P, for reasons that will become apparent below.
\n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/Scheme2.jpg\")
Scheme 2. \u00a0Reaction \u00a0scheme and energy profile.[1]
\nIn this study, we\u00a0used an older functional, MN15L[4] for R=Cl (scheme 1), which we have found very effective for the transition elements[5] and which –\u00a0like r2scan-3c – was\u00a0designed to be accurate for multi-reference and single-reference systems and for noncovalent interactions, This functional, unlike r2scan-3c, is implemented in the Gaussian 16 program code and hence has the advantage of allowing computed intrinsic reaction coordinate (IRC) data to be usefully visualised using e.g. Gaussview.\u2021 Transition state geometries were initially obtained from the supporting information given in the original article [1] and re-optimised in the Gaussian program using MN15L/Def2-TZVPP. The thermochemical energies shown in Table A1 were all obtained using GoodVibes[6] (see manual) with an entropic quasi-harmonic treatment frequency cut-off value of 2.0 wavenumbers[7] and an enthalpic quasi-harmonic treatment frequency cut-off value of 50.0 wavenumbers.[8] In the table, harmonic values are indicated as e.g. hG\u00a0and quasi-harmonic values as qh-G; the difference between these two is relative small. If desired, other harmonic cut-off values can be obtained, as well as at other molar concentrations, using log files obtained from the repository DOIs indicated below, via the command line:
\npython3 -m goodvibes -q --fs 2 --fh 50 -c 0.0409 logfilename.
\nThe intrinsic reaction coordinate (IRC) deriving from transition state TS1 computed using Gaussian 16, and without inclusion of a solvent continuum model (a gas phase model) is shown below (Table 1, Figure 1).[9] It leads directly to the “half-way” product Int2, with no intervening intermediate such as that shown in Scheme 2 (there labelled Int1[1]). So here, the TS1 IRC conflates the originally reported TS1 and TSint[1] as shown in scheme 2, with the conflation point occuring at an IRC value of ~9. This\u00a0point can also be seen below as a prominent “hidden intermediate” in the\u00a0gradient norm plot at the same IRC value. A gradient norm at this point of not quite zero is what makes it a “hidden” rather than a “real” intermediate. The conflation point also ~corresponds to a minimum in the dipole moment plot.\u00a0Here,[9]\u00a0the stepsize between points in the IRC calculation was selected as 20 (in units of 0.01 Bohr) and the Hessian was recalculated every 5 steps. The equivalent parameters for the IRCs as noted – but not visualised –\u00a0in the original article[1] were not stated; it is entirely possible that differences in either these parameters, or the algorithms used to compute the IRC or indeed the use of a different functional could account for this slight difference in behaviour. Slight, because TSint is shown as a very shallow intermediate (Scheme 2[1]).
\n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS1-gp.jpg\")
\nFigure 1. Computed geometry of TS1 in the gas phase at the MN15L/Def2-TZVPP level.
| Table 1. IRC for TS1 in a gas phase MN15L/Def2-TZVPP model. | \n|
|---|---|
| Total Energy | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS1-gp-qz-15219_tot_ener.svg\") | \n
| \u00a0Gradient norm | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS1-gp-qz-15219_rms_gnorm.svg\") | \n
| Dipole moment | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS1-gp-qz-15219_mol_prop.svg\") | \n
FAIR data for all the calculations conducted using a dichloromethane continuum solvent are summarised here, [10] with individual calculations indicated as a reference to a FAIR repository dataset \u00a0(Table A1). The computed geometry of TS1 changes from the initial values of a) the new S7-S8 bond 2.195 \u2192 2.356\u00c5, b) S8-Cl 2.918 \u2192 2.616\u00c5 and\u00a0c) S7-Ti 2.572 \u2192 2.562\u00c5 (Table 2, atom numbering shown in \u00a0Figure 1).
\n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/12/Scheme3.svg\")
Scheme 3. \u00a0Revised reaction scheme showing the formation of the ion-pair Int0 rather than Int1\u00a0computed using geometries optimised with continuum solvation effects included.
\n| Table 2. Calculated geometries for TS1 – Ts4 with solvation | \n|||
|---|---|---|---|
| # | \nGeometry | \n# | \nGeometry | \n
| TS1 | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS1.png\") | \nInt0 | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/int0.jpeg\") | \n
| TS2 | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS2.jpeg\") | \nInt2 | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/Int2.jpg\") | \n
| TS3 | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS3.png\") | \nTS4 | \n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS4.png\") | \n
When same potential energy surface is computed with a continuum solvent model (Table 3), the “hidden intermediate” present for the gas phase model in the original IRC profile of TS1 (Table 1) now becomes a real ion-pair intermediate (labelled here Int0 in \u00a0scheme 3 to distinguish it from Int1 in scheme 2) with a discrete chloride anion. Thus Int0 occurs at an IRC value of ~3.5\u00a0in the plots below, although it has a very small exit barrier via a transition state,\u00a0here labelled TS2 (different from the TS2 labelled in scheme 2 above). The plots below \u00a0(Table 3) are the result of concatenating two separate IRC plots for TS1 and TS2.
\n| Table 3. IRCs for TS1 + TS2 in a continuum solvent model | \n
|---|
![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS1-solvent-15218_tot_ener.svg\") | \n
![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS1-solvent-15218_rms_gnorm.svg\") | \n
![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/TS2-solvent-15220_mol_prop.svg\") | \n
The gas phase (left) and continuum solvent (right) IRCs are summarised below (Figure 2) to enable a visual comparison of the two potential energy surfaces.
\n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/IRC-plots.jpg\")
Figure 2. A comparison of the computed\u00a0IRC energy profiles in the gas phase (left) and continuum dichloromethane solvent (right).
\nThis indicates a change from Mechanism IV under gas phase conditions (scheme 2) to one closer to mechanism II with continuum solvent; an SN2 like displacement of chloride ion at sulfur, followed in a second step by Cl…Ti bond formation and Ti…S cleavage, Scheme 3. This can also be summarised by the following plots of bond lengths in Figure 3.
\n![\"\"](\"https://www.ch.ic.ac.uk/rzepa/blog/wp-content/uploads/2025/11/BL12-17.jpg\")
Figure 3. Selected bond length variation for the concatenated IRC profile for\u00a0TS1 + TS2 in a continuum solvent. See Figure 1 for atom numberings.
\nThe overall results can be summarised in Table 4 indicting that both the original r2scan-3c/Def2-mTZVPP and the MN15L functional used here are both in reasonable agreement with the experimental results obtained from kinetic studies. Also noteworthy is that for substituents such as e.g. 2b, the enthalpy of activation\u00a0may actually be negative, with the resulting positive value for the free energy of activation being a consequence of a very negative entropy of activation.
\n| Table 4. Solvent DCM model: Mechanism II through to Ion-Pair intermediate Int0 rather than the original Int1. | \n|||
|---|---|---|---|
| Source | \n\u0394H | \n\u0394S | \n\u0394G | \n
| 1a: Article | \n6.0 | \n-45.7 | \n19.6 | \n
| 1a: This work | \n3.4 | \n-31.5 | \n12.8 | \n
| 1a: Expt/1M | \n0.0 | \n-49.7 | \n14.8 | \n
| 2a: Article | \n1.7 | \n-45.7 | \n15.3 | \n
| 2a: This work | \n0.8 | \n-39.5 | \n12.6 | \n
| 2a: Expt/1M | \n-2.3 | \n-48.2 | \n12.6 | \n
| 2b: Article | \n\n | \n | ~10.8 | \n
| 2b: This work | \n-1.4 | \n-34.1 | \n8.80 | \n
| 6m: Article | \n\n | \n | ~25.0 | \n
| 6m: This work | \n8.95 | \n-39.2 | \n20.6 | \n
The overall conclusion is simple; when the possibility of ion-pair formation on a reaction potential energy surface is present, it matters how the geometries of all the species involved are obtained. A gas phase geometry optimised model is likely to disfavour the formation of such an ion-pair, whereas a continuum solvent geometry optimised model is more likely to promote such species. This effect can be seen especially in Figure 2, where the two potentials are shown side by side. Such promotion of ion-pairs is likely to reduce any concerted behaviour of the reaction into a two-stage stepwise process. Thus the concerted nature of mechanism IV (Scheme 1) morphs into more stepwise behaviour (Mechanism II, Scheme 1 modified as in Scheme 3). Overall however, while the resulting calculated energetic barriers, although reduced by inclusion of solvation, are unlikely provide definitive evidence of which mechanism actually prevails, the greater change in dipole moment in the stepwise behaviour is more consistent with the experimentally observed effects of solvent identity on the rate.
\nAll energies for the computed species, obtained with optimisation with a dichloromethane continuum solvent model. Values for the default concentration of 0.0409M are shown for completeness and to enable facile reconciliation with those included in the published FAIR datasets.
\n| Table A1. Calculations at the MN15L/Def2-TZVPP; Def2-QZVPP on Ti/CPCM=Dichloromethane level with geometry optimisation. | \n||||||
|---|---|---|---|---|---|---|
| 1a (scheme 2) | \n||||||
| Species | \nh-H | \nT.h-S | \nh-G | \nqh-H | \nT.qh-S | \nqh-G | \n
| Z=S | \n-3227.1212a \n-3227.1212b | \n0.05845 \n0.05543 | \n-3227.179639 \n[11] \n-3227.176621 | \n-3227.12140 \n-3227.12140 | \n0.05845 \n0.05543 | \n-3227.17985 \n-3227.17683 \n | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4943.75254a \n-4943.75254b | \n0.09481 \n0.08878 | \n-4943.847307 \n-4943.841279 \n | \n-4943.75275 \n-4943.75275 | \n0.09481 \n0.08878 | \n-4943.84756 \n-4943.84152 | \n
| TS1 | \n-4943.74534a \n-4943.74534b | \n0.07984 \n0.07682 | \n-4943.825172 \n[13] \n-4943.822153 | \n-4943.74734 \n-4943.74734 | \n0.07984 \n0.07682 | \n-4943.82717 \n-4943.82415 | \n
| \u0394TS1 | \n4.52 | \n-31.53 | \n13.88 | \n3.39 | \n-31.52 | \n12.79 | \n
| \u0394TS1b | \n4.52 | \n-25.17 | \n12.00 | \n3.39 | \n-25.17 | \n10.90 | \n
| Int0c | \n-4943.75128 | \n0.08039 | \n-4943.831670 \n[14] | \n-4943.75298 | \n0.08039 | \n-4943.83337 | \n
| \u0394Int0 | \n0.76 | \n-30.36 | \n9.81\u00a0 | \n-0.15 | \n-30.36 | \n8.91 | \n
| TS2 | \n-4943.74951 | \n0.07801 | \n-4943.827519 \n[15] | \n-4943.75100 | \n0.07801 | \n-4943.82901 | \n
| \u0394TS2 | \n1.88 | \n-35.33 | \n12.42 | \n1.10 | \n-35.36 | \n11.64 | \n
| Int2 | \n-4943.79255 | \n0.08031 | \n-4943.872859 \n[16] | \n-4943.79432 | \n0.08031 | \n-4943.87463 | \n
| \u0394Int2 | \n-25.13 | \n-30.53 | \n-16.03 | \n-26.09 | \n-30.53 | \n-16.99 (-11.0 lit) | \n
| TS3 | \n-4943.77886 | \n0.08003 | \n-4943.858887 \n[17] | \n-4943.78065 | \n0.08003 | \n-4943.86068 | \n
| \u0394TS3 | \n-16.54 | \n-30.12 | \n-7.27 | \n-4943.78065 | \n\n | -8.23 | \n
| Int3 | \n-4943.78456 | \n\u00a00.079887 | \n-4943.864446 \n[18] | \n-4943.78619 | \n0.079887 | \n-4943.86607 | \n
| \u0394Int3 | \n-20.12 | \n\u00a0-31.42 | \n-10.76 | \n-20.98 | \n-31.42 | \n-11.62 | \n
| TS4 | \n-4943.78439 | \n0.07807 | \n-4943.862461 \n[19] | \n-4943.78599 | \n0.07807 | \n-4943.86406 | \n
| \u0394TS4 | \n-20.01 | \n-35.23 | \n-9.51 | \n-20.86 | \n-35.23 | \n-10.36 | \n
| S7 as product | \n-2787.10568 | \n0.04667 | \n-2787.152347 \n[20] | \n-2787.10608 | \n0.04667 | \n-2787.15275 | \n
| Cp2TiCl2 | \n-2156.70450 | \n0.04990 | \n-2156.754401 \n[21] | \n-2156.70456 | \n0.04990 | \n-2156.75447 | \n
| Product P | \n-4943.81017 | \n0.09657 | \n-4,943.906749 | \n-4943.81064 | \n0.09657 | \n-4,943.90722 | \n
| \u0394Product P | \n-36.19 | \n3.70 | \n-37.30 | \n-36.33 | \n3.70 | \n-37.43 \n(-36.9 lit) | \n
| 2a: | \n||||||
| Z=CMe2 | \n-2946.72598a \n-2946.72598b | \n0.06683 \n0.063808 | \n-2946.7928059 \n[22]–2946.789786 | \n-2946.72674 \n-2946.72674 | \n0.06683 \n0.063806 | \n-2946.79356 \n-2946.790542 | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4663.35729 \n-4663.35729 | \n0.10319 \n0.097158 | \n-4663.4604739 \n-4,663.454444 \n | \n-4663.35808 \n-4663.35808 | \n0.10319 \n0.097156 | \n-4663.46127 \n-4663.455242 | \n
| TS1 | \n-4663.35477a \n-4663.35477b | \n0.08445 \n0.081429 | \n-4663.439222 \n[23]-4663.436203 | \n-4663.35677 \n-4663.35677 | \n0.08445 \n0.081429 | \n-4663.44122 \n-4663.438201 | \n
| \u0394TS1a | \n1.58 | \n-39.45 | \n13.34 | \n0.82 | \n-39.46 | \n12.59 | \n
| \u0394TS1b | \n1.58 | \n-33.10 | \n11.45 | \n\n | -33.10 | \n10.69 | \n
| TS2 | \n-4663.36425 | \n0.08207 | \n-4663.446325 \n[24] | \n-4663.36574 | \n0.08207 | \n-4663.44782 | \n
| \u0394TS2 | \n-4.37 | \n-44.44 | \n8.88 | \n-4.80 | \n-44.44 | \n8.44 | \n
| 2b: | \n||||||
| Z=C(NMe2)2 | \n-3135.79512 \n-3135.79512 | \n0.07575\n 0.072730 | \n-3135.870870 \n[25]-3135.867852 | \n-3135.79611 \n-3135.79611 | \n\u00a00.07575 \n0.072730 | \n-3135.87186 \n-3135.86884 | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4852.4264 \n-4852.4264 | \n0.11212 \n0.10608 | \n-4852.538538 \n-4852.53251 | \n-4852.42745 \n-4852.42745 | \n0.11212 \n0.10608 | \n-4852.5396 \n-4852.53354 | \n
| TS1 | \n-4852.42719 \n-4852.42719 | \n0.09602 \n0.09300 | \n-4852.523215 \n[26] \n-4852.520196 \n | \n-4852.42964 \n-4852.42964 | \n0.09591 \n0.09289 | \n-4852.52555 \n-4852.522536 | \n
| \u0394TS1a | \n-0.49 | \n-33.86 | \n9.62 | \n-1.37 | \n-34.11 | \n8.80 | \n
| \u0394TS1b | \n-0.49 | \n-27.53 | \n7.27 | \n-1.37 | \n-27.76 | \n6.91 | \n
| TS2 | \n-4852.43669 | \n0.09143 | \n-4852.528126 \n[27] | \n-4852.43823 | \n0.09143 | \n-4852.52966 | \n
| \u0394TS2 | \n-6.44 | \n-43.54 | \n6.53 | \n-6.76 | \n-43.54 | \n6.22 | \n
| 6m: | \n||||||
| Z=C(CN)2 | \n-3052.59951 \n-3052.59951 | \n0.06956 \n0.06654 | \n-3052.669074 \n[28] \n-3052.666055 \n | \n-3052.60050 \n-3052.60050 | \n0.06956 \n0.06654 | \n-3052.67007 \n-3052.66705 | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4769.23082 \n-4769.23082 | \n0.10593 \n0.09989 | \n-4769.336742 \n-4769.330713 | \n-4769.23185 \n-4769.23185 | \n0.10593 \n0.09989 | \n-4769.3378 \n-4769.33175 | \n
| TS1 | \n-4769.21540a \n-4769.21540b | \n0.08731 \n0.08423 | \n-4769.30271 \n[29] \n-4769.29970 \n | \n-4769.21759 \n-4769.21759 | \n0.08731 \n0.08423 | \n-4769.30490 \n-4769.30188 | \n
| \u0394TS1a | \n9.68 | \n-39.18 | \n21.36 | \n8.95 | \n-39.18 | \n20.63 | \n
| \u0394TSb | \n9.68 | \n-32.83 | \n19.46 | \n8.95 | \n-32.83 | \n18.74 | \n
| TS2 | \n-4769.22451 | \n0.08582 | \n-4769.310328 \n[30] | \n-4769.22626 | \n0.08582 | \n-4769.31208 | \n
| \u0394TS2 | \n3.96 | \n-42.32 | \n16.58 | \n3.51 | \n-42.32 | \n16.13 | \n
a0.0409M b1.0M cInt0 is ion pair comprising S+ and Cl– See Table 3 and scheme 3.
\n\u2021Currently at least, Gaussian is better supported by associated visualisation programs then ORCA.
\nThis post has DOI: 10.59350/1a48f-rj714
\nEs gibt vielerlei Begriffe, die \u00e4hnlich klingen, aber unterschiedliche Bedeutungen haben: Effektivit\u00e4t und Effizienz. Sympathie und Empathie. In Diskursen der Informationswissenschaften, zur Digitalisierung der Wissenschaft und aktuell im Zusammenhang mit der Barcelona Declaration on Open Research Information taucht regelm\u00e4\u00dfig ein anderes Begriffspaar auf, das ebenfalls \u00e4hnlich klingt, aber doch unterschiedliche Bedeutungen hat: Forschungsdaten und Forschungsinformationen.
\nIn diesem Beitrag m\u00f6chte ich beide Konzepte genauer definieren und deutlich voneinander trennen.
\nForschungsdaten beziehen sich auf alle Informationen, die w\u00e4hrend eines Forschungsprozesses gesammelt oder generiert werden. Dies k\u00f6nnen experimentelle Ergebnisse, empirische Umfragedaten, Satellitenfotos, Messwerte von Materialpr\u00fcfungen, Bilder, Audioaufnahmen und vieles mehr sein.
\nSie sind Ausgangsbasis f\u00fcr wissenschaftliche Analysen und Interpretationen. Wenn sie ver\u00f6ffentlicht werden, erm\u00f6glichen sie es Forschenden, diese Analysen und Interpretationen zu reproduzieren und zu \u00fcberpr\u00fcfen.
\nForschungsinformationen sind Metadaten \u00fcber Forschungsaktivit\u00e4ten, -akteur:innen und -ergebnisse. Dies sind zum Beispiel Beschreibungen von Projekten, Forschenden, Organisationen, Publikationen, Software oder Konferenzen.
\nSie werden unter anderem dazu verwendet,\u00a0 Forschende, F\u00f6rderer, die Politik und auch die \u00d6ffentlichkeit \u00fcber Ergebnisse und Auswirkung von Forschung zu informieren. Auch dienen sie zur Forschungsevaluierung und als Basis evidenzbasierter Wissenschaftspolitik.
\nJa, auf jeden Fall. Forschungsdaten sind Gegenstand von Forschungsinformationen. So wie ein wissenschaftlicher Zeitschriftenartikel in Metadaten beschrieben werden kann (wie wir es aus jedem Bibliothekskatalog kennen), so kann man auch Forschungsdaten beschreiben. Dies hier ist ein Beispiel f\u00fcr Forschungsinformationen \u00fcber Forschungsdaten:
\n![\"Abbildung](\"https://blog.tib.eu/wp-content/uploads/2024/05/Forschungsinformationen_ueber_Forschungsdaten-300x273.jpg\")
Hier wird ein Forschungsdatensatz in Metadaten beschrieben. Wir sehen hier unter anderem, dass es sich um einen Eintrag f\u00fcr ein Objekt des Typs \"Dataset\" handelt, dass dieses Objekt den DOI https://doi.org/10.22000/778 und den Namen \"LangenbachAMT2019\" hat. Es handelt sich hier also um Forschungsinformationen \u00fcber Forschungsdaten.
\nAnders herum k\u00f6nnen Forschungsinformationen auch Forschungsdaten sein – und zwar dann, wenn die Wissenschaft selbst der Untersuchungsgegenstand ist. In der Wissenschaftsforschung werden oftmals quantitative Untersuchungen von Koautorenschaften, von Zitationsbeziehungen oder zur Auswirkung von F\u00f6rderung auf bestimmte Forschungsfelder gemacht.
\nFazit: Forschungsinformationen und Forschungsdaten sind nicht dasselbe, auch wenn es durchaus inhaltliche \u00dcberschneidungen gibt.
","doi":"https://doi.org/10.65527/ne6d0-wgr47","guid":"http://blogs25.service.tib.eu/?p=23069","image":"https://blog.tib.eu/wp-content/uploads/2024/05/Forschungsinformationen_ungleich_Forschungsdaten.png","language":"de","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1715126400,"rid":"s5h2x-dzn19","summary":"read this article in English Es gibt vielerlei Begriffe, die \u00e4hnlich klingen, aber unterschiedliche Bedeutungen haben: Effektivit\u00e4t und Effizienz. Sympathie und Empathie.","tags":["BIBLIOTHEKSWELT","WISSENSCHAFTLICHES ARBEITEN","Lizenz:CC-BY-4.0-INT","Forschungsdaten","Forschungsinformationen"],"title":"Forschungsdaten oder Forschungsinformationen: Was ist der Unterschied?","updated_at":1789395938,"url":"https://blog.tib.eu/2024/05/08/forschungsdaten-oder-forschungsinformationen-was-ist-der-unterschied/","version":"v1"}},{"document":{"authors":[{"contributor_roles":[],"family":"Build","given":"R"}],"blog":{"authors":[{"name":"Open.Make Team"}],"community_id":"7a2126c6-7a6c-4a76-ba56-4c86e1894036","created":1780876800,"current_feed_url":null,"description":"Recent content on Implementing open and FAIR hardware","doi":"https://doi.org/10.59350/openmake","favicon":"https://rogue-scholar.org/api/communities/7a2126c6-7a6c-4a76-ba56-4c86e1894036/logo","feed_format":"application/rss+xml","feed_url":"https://www.openmake.de/index.xml","filter":null,"generator":"Hugo","home_page_url":"https://www.openmake.de/","issn":null,"language":"eng","license":"https://creativecommons.org/licenses/by/4.0/legalcode","prefix":"10.59350","relative_url":null,"secure":null,"slug":"openmake","status":"active","subfield":"1708","title":"Implementing open and FAIR hardware","updated":1788739200,"use_api":null},"blog_name":"Implementing open and FAIR hardware","blog_slug":"openmake","content_html":"Play and Pee. A Pissoir for every bodies, an hardware concept built in 8 hours !\nWe report here from a 2 times 4-hours workshop that ended on the 1st of September,\nwhere a small trans-disciplinary team followed a method derived from our\nhardware documentation guide to\ncreated a concept for urban sanitation.
\n![\"People](\"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic//images/workshop-1.jpg\"/)
After developing a guide for hardware documentation, we wondered how the documentation\nguide can also be used as a project development guide, and whether such\na guidance could be applied in trans-disciplinary settings.\nThanks to Pen's incoming fellowship, we had the possibility to test this hypothesis\nand organise a participatory workshop.\nThe short answer: it worked, not as planned but it worked.
\nSome years ago, I got involved in the looplab collective, born from the\nBUA grand challenge preparatory workshops. I got interested in the problems of\nurban sanitation and this was the opportunity to use and grow the network.
\nPen and I therefore prepared a workshop called\n\"Transdisciplinary workshop: hardware concept for urban sanitation\". I\nreached to different communities of makers, sanitation activist, podcaster, and\nresearchers and we could gather a team of height people (me included),\nhalf of them being members of the looplab team (me included again).
\nIt turned out we were a very divers group of very skilled people, including artists, social scientist,\nengineers, hacker, medical doctor, and biologist, all with some interesting and deep knowledge of the topic.
\nThe less short answer now. The goal of the first day was to build two teams and\ndecide what problems and vision each team will work on during the second day.\nWe started with a round of introduction, where each participant told the group about\ntheir background and relation to the topic (see below), while another participant was\ntaking notes on a small card.\nThen, after a short input on the topic (helped by a poster) and the daily schedule, each participant\ngot one participant card to pin on the topic board, so we got a visual representation\nof the main interests of the participants. We then added some elements in the topic\nposter using post-it, and discussed several projects people knew of.\nWe then had a speed dating round, with 4 rounds of 4 minutes where people were in groups\nof 3 and discussed freely.
\nThen the participants discussed several ideas (some of which emerged during\nthe speed dating)\nand I took notes using three notepads, one for actors, one for what they want,\nand one for what they wanted. After a pretty long round of discussion, we then read some randomised\ncombination of these 3 elements.\nIn the end, we discussed what mission we were giving us in a free round of discussion, and framed in the end\na vision for the work. Then ended the first day, with the missiong \"questioning the norms about toilet\". Day one ended with a\nsmall feedback round: everyone enjoyed the day, people wished for more speed dating and\n\"have a big piece of paper on the table\".
\nDay 2 started with documenting the team on the poster, it brought people together at the poster starting\nthe new day with an easy task. We had prepared a smaller table with a large piece of paper, I also\nput the cards written at the end of day one on it, as a reminder of ideas we developed.\nWe then started to discuss the problem we wanted to solve, taking notes on the big piece of paper.\nAfter about 45 minutes of group discussion, I borke the discussion to try a new approach:\neach participant wrote one problem they thought should be tackled on a card, we pinned them on\nthe wall. Then moved the cards in the center for ideas they thought would be best fit their interest.\nThis did not work well in term of choosing a problem,\nbut it broke the discussion and allowed us to test a different approach.
\nWe then moved to the actor description, the group mentioned different people who would be affected by the\nproject, stating their needs or whishes, while Pen took notes on cards he pinned on a board. For each actor,\nthe team frame how they could interact with a public toilet solution. We then read these interaction, to build a\ncapactity frame for the hardware solution.\nThen one of the\nparticipants draw a representation of the different actors, and the team wrote needs on cards they put on\nthe drawing. At the end, we reframed the mission and vision for the team \"toilet as a communal space, as a place to stay\nand experience our place in the ecosystem\". We then started to discuss the hardware solution we would envisage.\nThrough a rapid iterative discussion, ideas were discussed and refined. We discussed\ndifferent aspects of the solution, different modules which could be thought, and what element\nwe would develop first. It was like the idea was developing itself inside the discussions, and drawings helped\nframe it concretely. 20 minutes toward the end of the workshop, we had a team, a vision, a problem to solve and a\nconcept for a playfull peeing interactive machine. We could then discuss the next steps, where the team would next meet,\nand give a round of feedback.
\n![\"Final](\"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic//images/workshop-3.jpg\")
\nThe concept is a pissoir which is set too high to be used. The user needs to take it down, change the angle of the pissoir to use it. Flushing happens when the pissoir is taken up again.
\nWe had prepared a pretty slick timeplan for the workshop,\nwith the plan to have two teams at the end of day 1,\nthe two teams were then supposed to work independently and report to each other on day 2.\nIn the end, most of the plan had to be modified on the spot, as free discussion spots were very productive,\nwe also needed more breaks than planned.\nThe participants were proactively drawing, bringing a very unexpected and efficient way to discuss\nideas and come to a common understanding.
\nImportantly, the core work-plan was followed, even if the timeplan was not.\nThe important aspect was to follow the\nhardware documentation guide, pushing discussions about solution to the end of the workshop, once people deeply discussed\ntheir team, vision, mission, the actors ecosystem, and requirements for the hardware.\nThe time plan was also important and used when the work was stalling.\nFor instance, the problem description discussion was not coming to a conclusion, and\ngoing back to the planned activity helped the team go forward.\nIt was also important to not come to conclusive answer anyway in the process.\nFor example, the team mission framed in day one was useful to come forward\nin the other tasks, but it was reframed at least twice during the workshop.
\n![\"Montage](\"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic//images/montage.jpg\")
\nThe workshop was a success, it showed that the hardware documentation guide can be used\nas a guidance for project conceptualization. With the right format and team, one can get a\nextremely fitted concept in less than 10 hours.\nWe are eager to test whether the guide can also be used for prototyping\nand are organising the next workshop to test that hypothesis.
","doi":"https://doi.org/10.59350/datm4-s5d24","guid":"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic/","image":"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic//images/workshop-1.jpg","language":"en","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1788739200,"rid":"p4m0k-vpk75","summary":"Play and Pee. A Pissoir for every bodies, an hardware concept built in 8 hours ! We report here from a 2 times 4-hours workshop that ended on the 1st of September, where a small trans-disciplinary team followed a method derived from our hardware documentation guide to created a concept for urban sanitation.","title":"OSH as a method in participatory research: urban sanitation","updated_at":1789395862,"url":"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic/","version":"v1"}},{"document":{"authors":[{"affiliation":[{"id":"https://ror.org/00f2yqf98","name":"Medizinische Hochschule Hannover"}],"contributor_roles":[],"family":"Fenner","given":"Martin","url":"https://orcid.org/0000-0003-1419-2405"}],"blog":{"authors":[{"name":"Martin Fenner","url":"https://orcid.org/0000-0003-1419-2405"}],"community_id":"15a362ea-8138-42b8-917f-1840a92addf8","created":1672531200,"current_feed_url":null,"description":"The Front Matter Blog covers the intersection of science and technology since 2007.","doi":"https://doi.org/10.53731/front_matter","favicon":"https://rogue-scholar.org/api/communities/15a362ea-8138-42b8-917f-1840a92addf8/logo","feed_format":"application/atom+xml","feed_url":"https://blog.front-matter.de/atom","filter":null,"generator":"Ghost","home_page_url":"https://blog.front-matter.de/","issn":"2749-9952","language":"eng","license":"https://creativecommons.org/licenses/by/4.0/legalcode","prefix":"10.53731","relative_url":null,"secure":true,"slug":"front_matter","status":"active","subfield":"1710","title":"Front Matter","updated":1788787489,"use_api":true},"blog_name":"Front Matter","blog_slug":"front_matter","content_html":"18 April 2009: I've updated the chart and added 2collab, the \"Read\" category, sharing of PDF files, and the Mendeley bookmarklet and full-text search.
15 July 2009: I've updated the chart to indicate that Mendeley and Labmeeting have integrated PDF viewers and that 2collab can search Scopus.
20 July 2009: I've added the offline version of RefWorks for Windows, EndNote OpenOffice plugin, and full-text search in several tools.
22 February 2010: Many small changes, including a few more categories. Added Citavi and dropped 2collab, LabMeeting, and Connotea.
6 August 2010: Added Mendeley API and iPhone app, EndNote X4 features.
19 September 2010: Moved chart to different location, PDF download, Creative Commons license.
","doi":"https://doi.org/10.53731/r294649-6f79289-8cw42","guid":"https://doi.org/10.53731/r294649-6f79289-8cw42","image":"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2022/08/Reference-Manager-Overview.jpg","language":"en","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1237075200,"rid":"97hfg-v5103","summary":" 18 April 2009: I've updated the chart and added 2collab, the \"Read\" category, sharing of PDF files, and the Mendeley bookmarklet and full-text search. 15 July 2009: I've updated the chart to indicate that Mendeley and L abmeeting have integrated PDF viewers and that 2collab can search Scopus. 20 July 2009: I've added the offline version of RefWorks for Windows, EndNote OpenOffice plugin, and ","tags":["Feature"],"title":"Reference Manager Overview","updated_at":1789395779,"url":"https://blog.front-matter.de/posts/reference-manager-overview/","version":"v1"}}],"items":[{"authors":[{"affiliation":[{"name":"Front Matter"}],"contributor_roles":[],"family":"Fenner","given":"Martin","url":"https://orcid.org/0000-0003-1419-2405"}],"blog":{"authors":[{"name":"Martin Fenner","url":"https://orcid.org/0000-0003-1419-2405"}],"community_id":"15a362ea-8138-42b8-917f-1840a92addf8","created":1672531200,"current_feed_url":null,"description":"The Front Matter Blog covers the intersection of science and technology since 2007.","doi":"https://doi.org/10.53731/front_matter","favicon":"https://rogue-scholar.org/api/communities/15a362ea-8138-42b8-917f-1840a92addf8/logo","feed_format":"application/atom+xml","feed_url":"https://blog.front-matter.de/atom","filter":null,"generator":"Ghost","home_page_url":"https://blog.front-matter.de/","issn":"2749-9952","language":"eng","license":"https://creativecommons.org/licenses/by/4.0/legalcode","prefix":"10.53731","relative_url":null,"secure":true,"slug":"front_matter","status":"active","subfield":"1710","title":"Front Matter","updated":1788787489,"use_api":true},"blog_name":"Front Matter","blog_slug":"front_matter","content_html":"Starting this week the Rogue Scholar science blog archive collects citations of its blog posts using invenio-pidbox, the Python module for the InvenioRDM repository platform that I launched earlier this month, and replacing the integration that used the Crossref cited-by service launched in August 2025.
The reasons for this change are threefold:
invenio-pidbox uses a sqlite database to store scholarly metadata and uses the commonmeta-py Python library and its Rust bindings to query sqlite and integrate with the InvenioRDM repository platform that Rogue Scholar uses. The initial invenio-pidbox versions used the ROR and ORCID regular data dumps (135,710 organizations and 25,048,058 people, respectively) to generate author and organization profiles. With this release I started to also store Crossref and DataCite metadata in sqlite. Initially only the metadata for the blog posts in Rogue Scholar, so only tracking citations by other blog posts archived in Rogue Scholar, but the architecture allows me to scale to all 180 million Crossref DOIs and 120 million DataCite DOIs in their annual data dumps, and the about 2.4 billion references they contain, all in all about 2 TB of data. This sounds like a lot of data, but sqlite can easily handle this, and this is much easier and cheaper than importing all the metadata into Postgres and Opensearch, the database and search index used by InvenioRDM.
invenio-pidbox comes with a celery background worker task to extracts all Rogue Scholar citations out of sqlite and stores them as InvenioRDM metadata so that they can be shown and queried in Rogue Scholar. Blog post citations can be much faster than citations by journal articles, e.g. five days after the publication of the InvenioRDM v14 announcement:
Citations counts in Rogue Scholar are displayed for blogs, other communities, authors and institutions:
Clicking on the citation count (here 58) opens a query for all cited blog posts. The DataCite blog is also an example for tracking citations of blog posts with DataCite DOIs, something that Rogue Scholar couldn't do until this week.
invenio-pidbox is an invenio module that should work with all InvenioRDM v14 instances, and besides Rogue Scholar they currently all use DataCite DOIs for their content, making this an attractive option for other InvenioRDM instances that have 2 TB disk space to spare \u2013 not S3 object storage as sqlite needs fast disk access.
Institution profiles are an interesting use case. Their main challenge is incomplete metadata, e.g only 137 of currently 683 posts in the Crossref blog have affiliation metadata. Affiliation metadata (using ROR) are more difficult than author metadata (using ORCID), as affiliations have a start and end date, and authors can have multiple affiliations in parallel.
But with 300 million DOIs for works from Crossref and DataCite stored in sqlite in commonmeta format it becomes much easier to extract that information at scale, not limited by API rate-limits or differences between Crossref and DataCite metadata.
Please reach out via Slack, email, Mastodon, or Bluesky if you have any questions or comments.
InvenioRDM v14.0 was just released on August 7th 2026, and it's jam-packed with features, improvements and fixes! This is a big one, so let's get into it.
\nWant to see it in action? Go to the demo site. If you want to install it, follow the installation instructions!
\nSee the full release notes for all the details, and the upgrade guide for instructions on how to upgrade from your v13 instance to v14.
\nAdministrators can now manage user roles directly from the administration panel.
\n\n\n
Users can request to become members of communities directly. This feature is opt-in per community and feature-gated at the instance level.
\n\n\n
It is now possible to require a review for all record versions, subject to custom code on the instance level.
\nDOI registration with Crossref, instead of or in addition to DataCite, is possible. Crossref has a different metadata schema than DataCite and supports textual content types such as journal articles, books, conference proceedings, preprints, posters or dissertations.
\nYou can now allow users to modify the files of their published records, in accordance with your policies. When enabled, the record's owner can unlock file editing within the first 30 days of publication and modify them within 45 days (by default).
\n\n\n
You can specify a default amount of extra storage for files which users can spread across their records, allowing them to selectively use their volume budget for extra large records.\nAdditionally users can view the extra quota which they have used across their records in the new storage page in their settings.
\n\n\n
Preview GeoJSON files uploaded by users directly on an interactive map rendered with Leaflet and OpenStreetMap tiles.
\n\n\n
The new previewer automatically detects and displays GeoJSON files as maps within the existing JSON file previewer. When users upload a GeoJSON file, it will be rendered as an interactive map instead of raw JSON.
\nYou can also preview web archives (WACZ, WARC, HAR, CDX, CDXJ) using an embedded ReplayWeb.page viewer.
\nJobs can now send email notifications to configured recipients when runs complete with specific statuses. This enables administrators and librarians to be automatically informed about the outcome of scheduled or manually triggered jobs.
\nWe have aligned the core metadata schema and vocabularies with the latest additions from DataCite Schemas v4.5, v4.6 and v4.7. The goal is to adopt relevant updates that benefit InvenioRDM instances while strictly limiting breaking changes to ensure a smooth upgrade path. Additional breaking changes will happen in a future release.
\nList of changes:
\npublication-thesis) and \"Publication / Dissertation\" (id publication-dissertation) were merged into the former, which has been mapped to the resource type Dissertation in DataCite.Poster, Presentation, and Study Registration to the depositable default resource types. Added Project and Instrument to the linkable default resource types.IsTranslationOf, HasTranslation, IsCollectedBy, Collects, and Other to the default relation types. Added the new contributor type Translator and the new date type Coverage to their respective default vocabularies.CSTR (Science and Technology Resource Identifier) and RRID (Research Resource Identifier) as identifiable related identifiers.identifiers field to alternateIdentifiers and moved the doi identifier to its own field.The modern build toolchain introduced as experimental in v13 is now considered stable and ready for adoption:
\npipenv for Python dependency management.npm for JavaScript dependency management, with faster installs and a disk-efficient content-addressable store.webpack for asset bundling, with Rust-based builds that are much faster and drop-in compatible with the existing Invenio asset pipeline.We've added a few small but crucial improvements to our OAuth implementation, improving security and bringing Invenio's third-party authentication in line with modern standards.
\nWhen customizing InvenioRDM, you often need the UI component ID to override. Developer mode now highlights all overridable components on a page, making it easy to find the ID you need.
\n\n\n
We've enhanced support for ZIP files and introduced a flexible framework for handling other similar container formats (e.g., NetCDF, TAR). Users can now explore and access files inside archives without downloading them entirely, making large datasets easier to work with.
\n\n\n
InvenioRDM v14 introduces an interactive publication date facet on the search\npage. Users can filter records by year using a histogram and range slider, or\npick from preset ranges (last 6 months, last year, last 5 years) and enter a\ncustom date range.
\n\n\n
You can now configure InvenioRDM to allow users to delete, or request deletion of, their own published records in accordance with any policy or criteria you may have. When enabled, the default behavior is that records can be deleted within 30 days of publication. After, the deletion can be requested to the repository's administrators. Deletion requests are visible within the administration panel and the user's request dashboard.
\n\n\n
This feature is highly customizable. You can introduce deletion policies based on resource type, community role, file type, or any other criteria you require. Additionally, you can prevent unnecessary record deletion by adding a deletion checklist that suggests how users can resolve the issue correctly instead of deleting the record.
\nWe've introduced a number of exciting new features to improve the commenting experience on requests, which are currently used across InvenioRDM for a range of purposes such as community record submission.\nYou can now:
\n\n\n
Software releases can now be archived not only from GitHub, but also from other code forges such as GitLab and GitHub Enterprise.\nThe new invenio-vcs module replaces the existing invenio-github module with a nearly identical end-user experience while adding support for a generic code forge interface.
\n\n
See the full list of all additions.
\nMake sure to read the Breaking Changes section in the release notes.
\nInvenioRDM v14 requires:
\nIf you have questions related to the InvenioRDM v14.0 release, don't hesitate to jump on Discord and ask us!
\nThe development of this release wouldn't have been possible without the help of these smart people (name or GitHub handle, alphabetically sorted):
\nAuteur : Grant Hutchinson – CC BY-NC-ND – Source : https://www.flickr.com/photos/splorp/3642228449
Ce billet rassemble les traductions des deux derniers billets publi\u00e9s sur le blog Zotero.
\nStillman Dan, Improved PDF retrieval with Unpaywall integration, https://www.zotero.org/blog/improved-pdf-retrieval-with-unpaywall-integration/, 9 octobre 2018.
\nStillman Dan, Zotero Comes to Google Docs, https://www.zotero.org/blog/google-docs-integration/, 19 octobre 2018.
\nEn tant qu’organisation dont la mission est le d\u00e9veloppement d’outils de recherche gratuits et libres, nous nous soucions profond\u00e9ment du libre acc\u00e8s \u00e0 la recherche. Avec la derni\u00e8re version de Zotero, nous sommes ravis de rendre plus facile que jamais la recherche de fichiers PDF pour les \u00e9l\u00e9ments de votre biblioth\u00e8que Zotero.
\n\n\n\nSi Zotero a toujours \u00e9t\u00e9 en mesure de t\u00e9l\u00e9charger automatiquement des fichiers PDF lorsque vous enregistrez des \u00e9l\u00e9ments \u00e0 partir d’une page Web, ces fichiers PDF sont souvent soumis \u00e0 un acc\u00e8s payant par les \u00e9diteurs, les mettant hors de port\u00e9e de nombreuses personnes.
\n\n\n\nArrive Unpaywall, une base de donn\u00e9es d’articles accessibles l\u00e9galement en texte int\u00e9gral, h\u00e9berg\u00e9s par des \u00e9diteurs et des serveurs de publications partout dans le monde. A partir de Zotero 5.0.56, si vous enregistrez un \u00e9l\u00e9ment \u00e0 partir d’une page Web sur laquelle Zotero ne peut pas trouver ou acc\u00e9der \u00e0 un PDF, Zotero recherchera automatiquement un PDF en libre acc\u00e8s \u00e0 partir des donn\u00e9es de Unpaywall.
\n\n\n\n\n\nIl peut faire de m\u00eame lorsque vous utilisez “Saisir un identifiant \u00e0 ajouter \u00e0 votre biblioth\u00e8que” pour cr\u00e9er un nouvel \u00e9l\u00e9ment. Une nouvelle option “Trouver un PDF disponible”, accessible depuis le menu contextuel d’un \u00e9l\u00e9ment de votre biblioth\u00e8que, vous permet de r\u00e9cup\u00e9rer le PDF correspondant pour l’\u00e9l\u00e9ment s\u00e9lectionn\u00e9.
Nous utilisons notre propre service de recherche pour ces recherches, sans enregistrer le contenu des requ\u00eates.
Unpaywall est produit par Impactstory, une organisation \u00e0 but non lucratif dont la mission est de rendre la recherche scientifique plus ouverte, accessible et r\u00e9utilisable, et nous sommes fiers de soutenir leur travail en nous abonnant au flux de donn\u00e9es Unpaywall.
\n\n\n\nZotero peut \u00e9galement d\u00e9sormais tirer un meilleur parti des fichiers PDF disponibles par le biais des abonnements institutionnels. Lorsque vous utiliserez “Saisir un identifiant \u00e0 ajouter \u00e0 votre biblioth\u00e8que” ou “Trouver un PDF disponible”, Zotero chargera la page associ\u00e9e au DOI ou \u00e0 l’URL de l’\u00e9l\u00e9ment et tentera de trouver un PDF \u00e0 t\u00e9l\u00e9charger avant de rechercher des versions en libre acc\u00e8s. Cela fonctionnera si vous avez un acc\u00e8s direct ou VPN au PDF. Si vous passez par un proxy web, seuls les fichiers PDF en acc\u00e8s libre seront automatiquement r\u00e9cup\u00e9r\u00e9s \u00e0 l’aide de cette nouvelle fonctionnalit\u00e9. Vous pouvez continuer \u00e0 enregistrer des \u00e9l\u00e9ments avec des PDF sous acc\u00e8s payant depuis votre navigateur \u00e0 l’aide du connecteur Zotero.
\n\n\n\nSi vous souhaitez que Zotero utilise d’autres sources de fichiers PDF, vous pouvez \u00e9galement configurer des r\u00e9solveurs PDF personnalis\u00e9s.
\n\n\n\nPassez \u00e0 Zotero 5.0.56 et Zotero Connector 5.0.41 d\u00e8s aujourd’hui pour commencer \u00e0 utiliser ces nouvelles fonctionnalit\u00e9s.
\nNous sommes ravis d’annoncer la disponibilit\u00e9 de l’int\u00e9gration de Zotero avec Google Docs, rejoignant ainsi le support existant de Zotero pour Microsoft Word et LibreOffice.
\nLa m\u00eame puissante fonctionnalit\u00e9 que Zotero offre depuis longtemps pour les traitements de texte traditionnels est maintenant disponible pour Google Docs. Vous pouvez rapidement rechercher des documents dans votre biblioth\u00e8que Zotero, ajouter des num\u00e9ros de page et d’autres pr\u00e9cisions, et ins\u00e9rer des citations. Lorsque vous avez termin\u00e9, un simple clic permet d’ins\u00e9rer, \u00e0 partir des citations de votre document, une bibliographie mise en forme. Zotero prend en charge les exigences de style complexes telles que Ibid. et la d\u00e9sambigu\u00efsation des noms, et met \u00e0 jour vos citations et votre bibliographie en fonction des changements que vous apportez aux documents de votre biblioth\u00e8que. Si vous avez besoin de changer de style bibliographique, vous pouvez facilement remettre en forme votre document entier selon l’un des 9 000 styles bibliographiques pris en charge par Zotero.
\nLa compatibilit\u00e9 avec Google Docs est un \u00e9l\u00e9ment du connecteur Zotero pour Chrome et Firefox, qui ajoute un nouveau menu Zotero \u00e0 l’interface Google Docs :
\n
Il ajoute \u00e9galement un bouton dans la barre d’outils pour les citations en un seul clic :
\nLorsque vous commencez \u00e0 utiliser Zotero dans un document, vous devez d’abord l’authentifier avec votre compte Google. Vous pouvez alors commencer \u00e0 ins\u00e9rer les citations \u00e0 partir des biblioth\u00e8ques Zotero locales de votre ordinateur, tout comme vous pouvez le faire avec Word et LibreOffice.
Une fois que vous avez termin\u00e9 votre document et \u00eates pr\u00eat \u00e0 le soumettre, utilisez File \u2192 “Make a copy…” et, dans le nouveau document, utilisez Zotero \u2192 “Unlink Citations” pour convertir les citations et la bibliographie en texte simple. Vous pouvez ensuite t\u00e9l\u00e9charger ce second document au format PDF ou dans un autre type de fichier, tout en conservant les citations actives dans le document original, au cas o\u00f9 vous auriez besoin d’effectuer des modifications ult\u00e9rieurement. Zotero vous demandera de cr\u00e9er une copie si vous essayez de t\u00e9l\u00e9charger votre document original.
\nZotero et Google Docs constituent une combinaison parfaite pour les gens qui \u00e9crivent ensemble. Les groupes Zotero sont un excellent moyen de collecter et de g\u00e9rer les documents d’un projet partag\u00e9, et l’int\u00e9gration de Google Docs vous permet, ainsi qu’\u00e0 vos co-auteurs, d’ins\u00e9rer et de modifier des citations dans un document partag\u00e9. Les groupes sont gratuits et peuvent comporter un nombre illimit\u00e9 de membres, vous pouvez donc collaborer avec autant de personnes que vous le souhaitez.
\nLe fait de citer des documents provenant de la m\u00eame biblioth\u00e8que permet \u00e0 tous d’apporter des modifications aux \u00e9l\u00e9ments dans Zotero et de faire appara\u00eetre ces modifications dans le document. Si toutefois vous ne voulez pas travailler \u00e0 partir d’un groupe, cela va tr\u00e8s bien aussi. Zotero peut g\u00e9n\u00e9rer des citations et des entr\u00e9es bibliographiques correctes, m\u00eame pour les documents que chacun ajoute \u00e0 partir de sa propre biblioth\u00e8que.
\nPr\u00eat \u00e0 l’essayer ? Ouvrez un document dans Google Documents et recherchez le menu Zotero. Si vous ne le voyez pas, assurez-vous d’avoir install\u00e9 la version 5.0.42 du connecteur Zotero pour Chrome ou Firefox.
\nConsultez notre documentation pour en savoir plus sur l’utilisation de Zotero avec Google Docs.
\nSi vous rencontrez des probl\u00e8mes, faites-le nous savoir sur les forums Zotero.
","doi":"https://doi.org/10.59350/svy34-9h061","guid":"http://zotero.hypotheses.org/?p=2130","image":"https://zotero.hypotheses.org/files/2018/10/2009_Woodtype.jpg","language":"fr","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1540166400,"rid":"749n6-3ga15","summary":"Auteur : Grant Hutchinson \u2013 CC BY-NC-ND \u2013 Source : https://www.flickr.com/photos/splorp/3642228449 Ce billet rassemble les traductions des deux derniers billets publi\u00e9s sur le blog Zotero. Stillman Dan, Improved PDF retrieval with Unpaywall integration , https://www.zotero.org/blog/improved-pdf-retrieval-with-unpaywall-integration/, 9 octobre 2018.","tags":["Actualit\u00e9s"],"title":"Int\u00e9grations Unpaywall et Google Docs","updated_at":1789396054,"url":"https://zotero.hypotheses.org/2130","version":"v1"},{"authors":[{"affiliation":[{"name":"Front Matter"}],"contributor_roles":[],"family":"Fenner","given":"Martin","url":"https://orcid.org/0000-0003-1419-2405"}],"blog":{"authors":[{"name":"Martin Fenner","url":"https://orcid.org/0000-0003-1419-2405"}],"community_id":"15a362ea-8138-42b8-917f-1840a92addf8","created":1672531200,"current_feed_url":null,"description":"The Front Matter Blog covers the intersection of science and technology since 2007.","doi":"https://doi.org/10.53731/front_matter","favicon":"https://rogue-scholar.org/api/communities/15a362ea-8138-42b8-917f-1840a92addf8/logo","feed_format":"application/atom+xml","feed_url":"https://blog.front-matter.de/atom","filter":null,"generator":"Ghost","home_page_url":"https://blog.front-matter.de/","issn":"2749-9952","language":"eng","license":"https://creativecommons.org/licenses/by/4.0/legalcode","prefix":"10.53731","relative_url":null,"secure":true,"slug":"front_matter","status":"active","subfield":"1710","title":"Front Matter","updated":1788787489,"use_api":true},"blog_name":"Front Matter","blog_slug":"front_matter","content_html":"The Rogue Scholar science blog archive uses DOIs to uniquely identify blog posts with meaningful metadata. This enables tracking citations of scholar blog posts in the scholarly literature using traditional citation tracking methods rather than altmetrics. Initially launched as a Rogue Scholar service six months ago, citation tracking has launched to production this week.
The following features are now available:
The Altmetrics manifesto stated in 2010 that
Altmetrics are fast, using public APIs to gather data in days or weeks. They're open \u2013 not just the data, but the scripts and algorithms that collect and interpret it.
In the past 15 years we have seen that the tools and services around altmetrics have taken a different path: altmetrics data from sources like Twitter, Facebook or Mendeley never really became open, and neither did the services aggregating and showing them, or the algorithms aggregating and interpreting them. Efforts like PLOS Article-Level Metrics (where I was the technical lead from 2012 to 2015) or Crossref and DataCite Event Data tried hard but ultimately failed because the data sources were not open, and social media feeds were increasingly driven by algorithms. This social media platform decay was coined enshittification by Cory Doctorow in November 2022.
Rogue Scholar is trying a different approach. Instead of altmetrics as a filter to make sense of the scholarly literature, it helps scholarly blogs to become part of the scholarly literature. Rogue Scholar applies the concepts of persistent identifiers (DOI, ORCID, ROR), standardized metadata (Crossref, DataCite), Open Data and Open Access (CC-BY licenses for all content, OSI-approved licenses for all software), and even experiments with peer review. And it now adds citation tracking. Blog posts are rarely cited in the scholarly literature, but that is more about current citation practices than the ability to do so.
Crossref is smart enough to figure out that links to blog post URLs in reference lists are conceptually the same as citing a DOI, and that is why Rogue Scholar can find citations to Rogue Scholar blog posts published long before these blogs joined Rogue Scholar. Open Access News was published 2003-2010 and joined Rogue Scholar in 2025, and Crossref finds 22 citations in the scholarly literature to its blog posts.
Blog posts are typically published much faster than scholarly articles or even preprints. That is why the post on the Crossref blog announcing that the blog started assigning DOIs to all its posts published in June already has two citations two weeks later, both from Rogue Scholar blogs.
Citation tracking of course has limitations. I am not talking using citation counts as a proxy for scientific impact, but rather about technical limitations of automated citation tracking. The main challenge is that only citations that show up in reference lists with an identifier (DOI or URL) and where the reference list is openly made available to Crossref (I4OC) are found.
Another challenge is that automated workflows make mistakes \u2013 for this reason, Rogue Scholar can exclude falsely linked citations, and has occasionally done so. Please reach out if you find a citation in Rogue Scholar that is not found in the reference list of the citing scholarly work.
Rogue Scholar registers Crossref DOIs for blog posts but also includes blogs that register their DOIs using DataCite. Less than 10 blogs of the currently 168 Rogue Scholar blogs do so, and I currently have no easy way to collect citations for these blog posts. DataCite has a similar service to Crossref Cited-by, but the citing scholarly literature is currently mostly in Crossref. Third-party services such as OpenAlex also show the citations of the Crossref blog post mentioned above, but OpenAlex currently has only limited support for scholarly blog posts registered by DataCite.
I hope that the new citation tracking service encourages Rogue Scholar bloggers to publish more blog posts with references (currently only 4.98 % of posts), as references and citations are closely connected (how to include references in blog posts is documented here). And I hope that readers of Rogue Scholar blog posts discover interesting scholarly works through the citation tracking service. 460 of the 1370 Rogue Scholar citations are also blog posts, but the most popular citing content type is journal article:
Please use Slack, email, Mastodon, or Bluesky if you have any questions or comments regarding the Rogue Scholar citation tracking service.
2008 fiel der Startschuss f\u00fcr Allianz-Lizenzen im Pilotprojekt Nationallizenzen f\u00fcr laufende Zeitschriften durch die Deutsche Forschungsgemeinschaft (DFG) als F\u00f6rderinstitution. Die ersten drei Finanzierungsjahre f\u00fcr aktuelle Zeitschriftenpakete konnten von der TIB mit den Fachgesellschaften des American Institute of Physics (AIP), dem Institute of Physics (IOP) und der Royal Society of Chemistry (RSC) ausgehandelt werden. Sie deckten damit zwei der Kernf\u00e4cher der TIB ab \u2013 Chemie und Physik. Mehr als 130 Hochschulen und \u00fcberwiegend \u00f6ffentlich gef\u00f6rderte Forschungseinrichtungen sowie deren Wissenschaftlerinnen und Wissenschaftler erhielten Zugang zu aktueller, qualifizierter, fachspezifischer Literatur unter anteiliger Bezuschussung durch die DFG.
\nIn den nachfolgenden Jahren des LIS F\u00f6rderprogramms \u2013 \u00dcberregionale Lizenzierung [1] kamen weitere Fachgebiete hinzu: Ingenieurwissenschaften (SPIE Digital Library), Architektur (Detail inspiration) und Werkstoffwissenschaften (Scientific.Net) und Biochemie (Biochemical Society Journals). Neben Zeitschriften wurden E-Book-Pakete und Datenbanken angeboten.
Der Paketinhalt verkleinerte sich, E-only-basierte, rabattierte Preisgestaltungen r\u00fcckten in den Fokus. Nutzungsrechte wurden im Hinblick auf dauerhafte Zugriffsrechte, Archivierungs- und Hostingrechte sowie Moving Walls ausgehandelt und erweitert. Die eigens konzipierte Musterlizenz diente als wichtiges Werkzeug f\u00fcr die Umsetzung in der Praxis.
\nZus\u00e4tzlich wurden Verlage und Fachgesellschaften mit der Forderung zum Open-Access-Zweitver\u00f6ffentlichungsrecht, dem Green Open Access, konfrontiert. Autorinnen und Autoren sowie deren Institutionen sollten die Berechtigung erhalten, ihren Artikel als Post-Peer-Reviewed-Version oder Verlags-PDF in einem institutionellen oder disziplinspezifischen Repositorium zu ver\u00f6ffentlichen. In den ersten Jahren musste eine sechs- bis zw\u00f6lfmonatige Sperrfrist (Embargo) eingehalten werden, sp\u00e4ter entfiel diese Frist ganz. 2016 begann durch eine Kooperation von Verb\u00fcnden, Universit\u00e4tsbibliotheken und einer Forschungsgemeinschaft der Aufbau von DeepGreen, der heutigen Datendrehscheibe f\u00fcr Open-Access-Repositorien. [2]
\nZun\u00e4chst galt es, mit dem Anbieter ein tragf\u00e4higes Angebot unter Ber\u00fccksichtigung der Grunds\u00e4tze f\u00fcr den Erwerb DFG-gef\u00f6rderter \u00fcberregionaler Lizenzen auszuhandeln. Mittels einer Online-Umfrage unter allen berechtigten Forschungs- und Bildungseinrichtungen konnte der deutschlandweite Bedarf erhoben und eine Kostenkalkulation mit prognostizierter Teilnehmeranzahl erstellt werden. Diese bildete die Grundlage f\u00fcr die F\u00f6rderh\u00f6he. An einer moderaten Preisentwicklung, Cost-Per-Download, einer transparenten Preisstruktur und letztlich eines innovativen Lizenzmodells wurde der Antrag gemessen und von Fachgutachtern der DFG als f\u00f6rderf\u00e4hig eingestuft.
\nDie T\u00e4tigkeiten, die in diesem Zusammenhang anfielen, waren vielf\u00e4ltig: von der \u00dcberwachung der F\u00f6rdergelder und der anteiligen Rechnungsstellung (75 Prozent finanzielle Eigenbeteiligung der Bibliotheken) \u00fcber die Bearbeitung von Zugriffsschwierigkeiten bis zur Erschlie\u00dfung in Katalogen der EZB, DBIS und ZDB sowie im Nationallizenzportal. Au\u00dferdem mussten Auswertungen in Form von DFG-Zwischen- und Endberichten formuliert werden.
Seit 2008 bewilligte die DFG der Technischen Informationsbibliothek 14 Allianz-Lizenzen bzw. F\u00f6rderperioden verteilt auf acht Lizenzprodukte von insgesamt sieben Anbietern. [3]
\n
Das LIS-F\u00f6rderprogramm erm\u00f6glichte die Aushandlung von Hostingrechten f\u00fcr Vertragspartner und Lizenznehmer auf eigenen Servern oder den Servern Dritter. Die Sicherung von Metadaten und ihren Volltexten auf TIB-Servern und die Einbindung ins TIB-Portal kann am Beispiel von Detail inspiration exemplarisch eingesehen werden.
\nInsgesamt wurden an der TIB mittels Moving Wall und L\u00fcckenerg\u00e4nzungen sechs Nationallizenzen aufgebaut bzw. um aktuelle Jahrg\u00e4nge erweitert.
\nAus nahezu allen Allianz-Lizenzen der TIB haben sich tragf\u00e4hige nationale TIB-Konsortien gebildet, die von fachlicher Relevanz sind und einen rabattierten Bezug erm\u00f6glichen. Sie sind \u00fcber den GASCO-Monitor recherchierbar.
\nBei sechs Lizenzprodukten, die ehemals als Allianz-Lizenzen F\u00f6rderung erhalten haben, konnte der Transformationsprozess [4] gemeinsam mit den Verlagen vorangetrieben werden, so dass heute mehrj\u00e4hrige Read-&-Publish-Vertr\u00e4ge existieren.
\nMit der Fachgesellschaft RSC wurde der Weg zur Open-Access-Transformation bereits als Allianz-Lizenz eingeschlagen, da mit dem Vertrag f\u00fcr die Jahre 2014 bis 2016 nicht nur Leserechte, sondern auch Voucher f\u00fcr kostenfreie Publikationen von Artikeln verbunden waren, also eine Fr\u00fchform von Read & Publish \u2013 der erste Konsortialvertrag dieser Art in Deutschland. Es folgten weitere Vertr\u00e4ge und Modelle mit RSC und f\u00fcr 2028 ist die Transformation der RSC-Zeitschriften in Gold Open Access Zeitschriften in Sicht.
\nMit IOP erfolgte 2019 der erste transformative Vertragsabschluss f\u00fcr die IOP Journals. Zwei bzw. drei Jahre sp\u00e4ter wurden nationale OA-Transformationsangebote mit AIP, SPIE und Portland Press verhandelt. Der j\u00fcngste Read & Publish-Vertrag wurde mit Trans Tech Publications f\u00fcr die Datenbank Scientific.Net ab 2024 geschlossen.
\n
Auch andere zukunftsweisende Open Access Modelle wie Diamond Open Access finden an der TIB Anwendung und k\u00f6nnen dem TIB-News-Beitrag unter Mehr Open Access in TIB-gef\u00fchrten Konsortien und der Webseite Open Access in TIB-Konsortien entnommen werden.
\n[1] Heidler, R., & Holzer, A. (2021). \u00dcberregionale Lizenzierung: Bilanz eines DFG-F\u00f6rderprogramms.\u00a0O-Bib. Das Offene Bibliotheksjournal / Herausgeber VDB,\u00a08(2), 1\u201324. https://doi.org/10.5282/o-bib/5707
\n[2] Boltze, J., H\u00f6llerl, A., Kuberek, M., Lohrum, S., Pampel, H., Putnings, M., Retter, R., Rusch, B., Sch\u00e4ffler, H., & S\u00f6llner, K. (2022). DeepGreen: Eine Infrastruktur f\u00fcr die Open-Access-Transformation.\u00a0O-Bib. Das Offene Bibliotheksjournal / Herausgeber VDB,\u00a09(1), 1\u201313. https://doi.org/10.5282/o-bib/5764
\n[3] Vosberg, D. (2018). 10 Jahre Allianz-Lizenzen an der TIB \u2013 ein kurzer Blick zur\u00fcck. TIB-Blog. https://blog.tib.eu/2018/12/13/10-jahre-allianz-lizenzen-an-der-tib-ein-kurzer-blick-zurueck/
\n[4] Wissenschaftsrat (2022): Empfehlungen zur Transformation des wissenschaftlichen Publizierens zu Open Access; K\u00f6ln. https://doi.org/10.57674/fyrc-vb61
\n
With the surge of Large Language Models (LLMs) nowadays, there is a rising trend among developers to use Large Language Models to assist their daily code writing. Famous products include GitHub Copilot or simply ChatGPT. However, just like those codes written by human developers, code generated by LLMs can sometimes have a lot of security risks as well. For example, there is a popular one called \"Out-of-bounds Write\", which may allow attackers to write malicious information into the computer memory for some potential criminal activities.
In this post, we introduce some of the latest efforts in assessing the security of the code generated by Large Language Models so that one can have some basic ideas about how unreliable such models can be in general cases or when given some specific tasks.
Common Weakness Enumeration (CWE) is a system operated by MITRE that categorises security vulnerabilities, including over 400 categories regarding software security risks. For example, the security risk \"Out-of-bounds Write\" mentioned earlier is assigned to \"CWE-787\". By using CWE as the metric for evaluating the security risk of the generated code, one can easily analyse a group of security vulnerabilities in a systematic way.
In a recent research, to gain insight into the question \"Are GitHub Copilot's suggestions commonly insecure\", GitHub Copilot's generated code was evaluated regarding a subset of MITRE's CWEs. To be more specific, Copilot's behaviour is studied along three dimensions, including diversity of weakness, diversity of prompt and diversity of domain. GitHub Copilot is a code completion tool developed by GitHub and OpenAI that assists users of Visual Studio Code, Visual Studio, Neovim, and JetBrains integrated development environments (IDEs) by autocompleting code.
For the diversity of weakness, three different scenarios for each applicable \"top 25\" CWEs were constructed as small, incomplete programs waiting to be filled out by Copilot. As code evaluation, CodeQL software scanning was used along with manual inspection to assess whether the suggestions returned were vulnerable to that CWE.
Next, for the diversity of prompt, the effect that different prompts (aka the input we give to the model) have on how likely Copilot is to return suggestions that are vulnerable to a selected CWE (e.g. SQL injection) are assessed.
Eventually, for the diversity of domain, the security of the code generated by Copilot is also assessed by focusing on the Copilot's behaviour when it is tasked with a new domain added to CWEs, such as code written in another programming language.
In this case, Copilot's response to these scenarios is mixed from a security standpoint, where around 40% of the generation results are found to be vulnerable.
Apart from general systematic testing, user studies were also actively conducted to assess the security of the generated code. Recently, a security-driven user study to assess code written by student programmers when assisted by LLMs was conducted.
Students for this study were recruited through social media and split randomly into 'control' (no LLM access) and 'assisted' (with LLM access) groups. They were prompted to complete a shopping list program implementation in C. C was chosen here since a majority of security risks are memory-based issues in low level languages such as C/C++).
An LLM called code-cushman-001 was used in this study to help the students in the assisted group due to its fast speed to operate and its similar response time to GitHub Copilot. After generating the function, compilation would be checked and another completion would be requested if the result fails. To analyse the results, standard statistical hypothesis tests were used to provide evidence-based conclusions. Hypothesis Testing is a type of statistical analysis in which assumptions about a population parameter are put to the test. It is used to estimate the relationship between 2 statistical variables.
By examining the completed code for functionality and security, using manual and automated methods regarding a list of CWEs, the study found that the security impacts are minimal in this setting of using LLMs for code generation assistance. Existing findings on the productivity benefits of AI assistance were confirmed. They also found that the AI-assisted group produced security-critical bugs at a rate no greater than 10% higher than the control group (non-assisted). When investigating the origin of bugs within the assisted users, 63% of the bugs originated in code written by humans and 36% of the bugs were present in the taken suggestions.
The use of Large Language Models has witnessed significant advancement in multiple directions, especially when they are used in assisting code implementation. However, code generated by Large Language Models can have some potential security risks. In this post, we discussed the latest effort in assessing the security of the code generated by large language models, ranging from systematic testing to user studies. Through continuous investigation and refinement, we believe that the use of Large Language Models can open up exciting opportunities for us in code generation.
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\nAn investigation of the kinetics of the reaction between titanocene pentasulfide and sulfenyl chloride[1] leading to the formation of the S7 allotrope of sulfur was accompanied by supporting DFT calculations which led to the conclusion\u00a0that of five possible\u00a0mechanisms for the reaction, the most probable corresponded to a variant of the concerted \u03c3-bond metathesis (Scheme 1, Mechanism IV, R = Cl). Here we take a closer look at the DFT predictions from the point of view of the impact of continuum solvation on the calculated mechanism.
\n\n
Scheme 1. \u00a0Possible reaction mechanisms.
\nThe original study used the new r2scan-3c/Def2-mTZVPP composite DFT functional[2] as implemented in the ORCA 6 program code,[3] for which the (gas phase) mechanistic reported pathway was obtained as shown in scheme 2 below. Here, we re-label the succeeding steps as TS3\u00a0and TS4 (see Scheme 3 below, rather than TS2 from scheme 2) to form the final product P, for reasons that will become apparent below.
\n
Scheme 2. \u00a0Reaction \u00a0scheme and energy profile.[1]
\nIn this study, we\u00a0used an older functional, MN15L[4] for R=Cl (scheme 1), which we have found very effective for the transition elements[5] and which –\u00a0like r2scan-3c – was\u00a0designed to be accurate for multi-reference and single-reference systems and for noncovalent interactions, This functional, unlike r2scan-3c, is implemented in the Gaussian 16 program code and hence has the advantage of allowing computed intrinsic reaction coordinate (IRC) data to be usefully visualised using e.g. Gaussview.\u2021 Transition state geometries were initially obtained from the supporting information given in the original article [1] and re-optimised in the Gaussian program using MN15L/Def2-TZVPP. The thermochemical energies shown in Table A1 were all obtained using GoodVibes[6] (see manual) with an entropic quasi-harmonic treatment frequency cut-off value of 2.0 wavenumbers[7] and an enthalpic quasi-harmonic treatment frequency cut-off value of 50.0 wavenumbers.[8] In the table, harmonic values are indicated as e.g. hG\u00a0and quasi-harmonic values as qh-G; the difference between these two is relative small. If desired, other harmonic cut-off values can be obtained, as well as at other molar concentrations, using log files obtained from the repository DOIs indicated below, via the command line:
\npython3 -m goodvibes -q --fs 2 --fh 50 -c 0.0409 logfilename.
\nThe intrinsic reaction coordinate (IRC) deriving from transition state TS1 computed using Gaussian 16, and without inclusion of a solvent continuum model (a gas phase model) is shown below (Table 1, Figure 1).[9] It leads directly to the “half-way” product Int2, with no intervening intermediate such as that shown in Scheme 2 (there labelled Int1[1]). So here, the TS1 IRC conflates the originally reported TS1 and TSint[1] as shown in scheme 2, with the conflation point occuring at an IRC value of ~9. This\u00a0point can also be seen below as a prominent “hidden intermediate” in the\u00a0gradient norm plot at the same IRC value. A gradient norm at this point of not quite zero is what makes it a “hidden” rather than a “real” intermediate. The conflation point also ~corresponds to a minimum in the dipole moment plot.\u00a0Here,[9]\u00a0the stepsize between points in the IRC calculation was selected as 20 (in units of 0.01 Bohr) and the Hessian was recalculated every 5 steps. The equivalent parameters for the IRCs as noted – but not visualised –\u00a0in the original article[1] were not stated; it is entirely possible that differences in either these parameters, or the algorithms used to compute the IRC or indeed the use of a different functional could account for this slight difference in behaviour. Slight, because TSint is shown as a very shallow intermediate (Scheme 2[1]).
\n
\nFigure 1. Computed geometry of TS1 in the gas phase at the MN15L/Def2-TZVPP level.
| Table 1. IRC for TS1 in a gas phase MN15L/Def2-TZVPP model. | \n|
|---|---|
| Total Energy | \n | \n
| \u00a0Gradient norm | \n | \n
| Dipole moment | \n | \n
FAIR data for all the calculations conducted using a dichloromethane continuum solvent are summarised here, [10] with individual calculations indicated as a reference to a FAIR repository dataset \u00a0(Table A1). The computed geometry of TS1 changes from the initial values of a) the new S7-S8 bond 2.195 \u2192 2.356\u00c5, b) S8-Cl 2.918 \u2192 2.616\u00c5 and\u00a0c) S7-Ti 2.572 \u2192 2.562\u00c5 (Table 2, atom numbering shown in \u00a0Figure 1).
\n
Scheme 3. \u00a0Revised reaction scheme showing the formation of the ion-pair Int0 rather than Int1\u00a0computed using geometries optimised with continuum solvation effects included.
\n| Table 2. Calculated geometries for TS1 – Ts4 with solvation | \n|||
|---|---|---|---|
| # | \nGeometry | \n# | \nGeometry | \n
| TS1 | \n | \nInt0 | \n | \n
| TS2 | \n | \nInt2 | \n | \n
| TS3 | \n | \nTS4 | \n | \n
When same potential energy surface is computed with a continuum solvent model (Table 3), the “hidden intermediate” present for the gas phase model in the original IRC profile of TS1 (Table 1) now becomes a real ion-pair intermediate (labelled here Int0 in \u00a0scheme 3 to distinguish it from Int1 in scheme 2) with a discrete chloride anion. Thus Int0 occurs at an IRC value of ~3.5\u00a0in the plots below, although it has a very small exit barrier via a transition state,\u00a0here labelled TS2 (different from the TS2 labelled in scheme 2 above). The plots below \u00a0(Table 3) are the result of concatenating two separate IRC plots for TS1 and TS2.
\n| Table 3. IRCs for TS1 + TS2 in a continuum solvent model | \n
|---|
| \n
| \n
| \n
The gas phase (left) and continuum solvent (right) IRCs are summarised below (Figure 2) to enable a visual comparison of the two potential energy surfaces.
\n
Figure 2. A comparison of the computed\u00a0IRC energy profiles in the gas phase (left) and continuum dichloromethane solvent (right).
\nThis indicates a change from Mechanism IV under gas phase conditions (scheme 2) to one closer to mechanism II with continuum solvent; an SN2 like displacement of chloride ion at sulfur, followed in a second step by Cl…Ti bond formation and Ti…S cleavage, Scheme 3. This can also be summarised by the following plots of bond lengths in Figure 3.
\n
Figure 3. Selected bond length variation for the concatenated IRC profile for\u00a0TS1 + TS2 in a continuum solvent. See Figure 1 for atom numberings.
\nThe overall results can be summarised in Table 4 indicting that both the original r2scan-3c/Def2-mTZVPP and the MN15L functional used here are both in reasonable agreement with the experimental results obtained from kinetic studies. Also noteworthy is that for substituents such as e.g. 2b, the enthalpy of activation\u00a0may actually be negative, with the resulting positive value for the free energy of activation being a consequence of a very negative entropy of activation.
\n| Table 4. Solvent DCM model: Mechanism II through to Ion-Pair intermediate Int0 rather than the original Int1. | \n|||
|---|---|---|---|
| Source | \n\u0394H | \n\u0394S | \n\u0394G | \n
| 1a: Article | \n6.0 | \n-45.7 | \n19.6 | \n
| 1a: This work | \n3.4 | \n-31.5 | \n12.8 | \n
| 1a: Expt/1M | \n0.0 | \n-49.7 | \n14.8 | \n
| 2a: Article | \n1.7 | \n-45.7 | \n15.3 | \n
| 2a: This work | \n0.8 | \n-39.5 | \n12.6 | \n
| 2a: Expt/1M | \n-2.3 | \n-48.2 | \n12.6 | \n
| 2b: Article | \n\n | \n | ~10.8 | \n
| 2b: This work | \n-1.4 | \n-34.1 | \n8.80 | \n
| 6m: Article | \n\n | \n | ~25.0 | \n
| 6m: This work | \n8.95 | \n-39.2 | \n20.6 | \n
The overall conclusion is simple; when the possibility of ion-pair formation on a reaction potential energy surface is present, it matters how the geometries of all the species involved are obtained. A gas phase geometry optimised model is likely to disfavour the formation of such an ion-pair, whereas a continuum solvent geometry optimised model is more likely to promote such species. This effect can be seen especially in Figure 2, where the two potentials are shown side by side. Such promotion of ion-pairs is likely to reduce any concerted behaviour of the reaction into a two-stage stepwise process. Thus the concerted nature of mechanism IV (Scheme 1) morphs into more stepwise behaviour (Mechanism II, Scheme 1 modified as in Scheme 3). Overall however, while the resulting calculated energetic barriers, although reduced by inclusion of solvation, are unlikely provide definitive evidence of which mechanism actually prevails, the greater change in dipole moment in the stepwise behaviour is more consistent with the experimentally observed effects of solvent identity on the rate.
\nAll energies for the computed species, obtained with optimisation with a dichloromethane continuum solvent model. Values for the default concentration of 0.0409M are shown for completeness and to enable facile reconciliation with those included in the published FAIR datasets.
\n| Table A1. Calculations at the MN15L/Def2-TZVPP; Def2-QZVPP on Ti/CPCM=Dichloromethane level with geometry optimisation. | \n||||||
|---|---|---|---|---|---|---|
| 1a (scheme 2) | \n||||||
| Species | \nh-H | \nT.h-S | \nh-G | \nqh-H | \nT.qh-S | \nqh-G | \n
| Z=S | \n-3227.1212a \n-3227.1212b | \n0.05845 \n0.05543 | \n-3227.179639 \n[11] \n-3227.176621 | \n-3227.12140 \n-3227.12140 | \n0.05845 \n0.05543 | \n-3227.17985 \n-3227.17683 \n | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4943.75254a \n-4943.75254b | \n0.09481 \n0.08878 | \n-4943.847307 \n-4943.841279 \n | \n-4943.75275 \n-4943.75275 | \n0.09481 \n0.08878 | \n-4943.84756 \n-4943.84152 | \n
| TS1 | \n-4943.74534a \n-4943.74534b | \n0.07984 \n0.07682 | \n-4943.825172 \n[13] \n-4943.822153 | \n-4943.74734 \n-4943.74734 | \n0.07984 \n0.07682 | \n-4943.82717 \n-4943.82415 | \n
| \u0394TS1 | \n4.52 | \n-31.53 | \n13.88 | \n3.39 | \n-31.52 | \n12.79 | \n
| \u0394TS1b | \n4.52 | \n-25.17 | \n12.00 | \n3.39 | \n-25.17 | \n10.90 | \n
| Int0c | \n-4943.75128 | \n0.08039 | \n-4943.831670 \n[14] | \n-4943.75298 | \n0.08039 | \n-4943.83337 | \n
| \u0394Int0 | \n0.76 | \n-30.36 | \n9.81\u00a0 | \n-0.15 | \n-30.36 | \n8.91 | \n
| TS2 | \n-4943.74951 | \n0.07801 | \n-4943.827519 \n[15] | \n-4943.75100 | \n0.07801 | \n-4943.82901 | \n
| \u0394TS2 | \n1.88 | \n-35.33 | \n12.42 | \n1.10 | \n-35.36 | \n11.64 | \n
| Int2 | \n-4943.79255 | \n0.08031 | \n-4943.872859 \n[16] | \n-4943.79432 | \n0.08031 | \n-4943.87463 | \n
| \u0394Int2 | \n-25.13 | \n-30.53 | \n-16.03 | \n-26.09 | \n-30.53 | \n-16.99 (-11.0 lit) | \n
| TS3 | \n-4943.77886 | \n0.08003 | \n-4943.858887 \n[17] | \n-4943.78065 | \n0.08003 | \n-4943.86068 | \n
| \u0394TS3 | \n-16.54 | \n-30.12 | \n-7.27 | \n-4943.78065 | \n\n | -8.23 | \n
| Int3 | \n-4943.78456 | \n\u00a00.079887 | \n-4943.864446 \n[18] | \n-4943.78619 | \n0.079887 | \n-4943.86607 | \n
| \u0394Int3 | \n-20.12 | \n\u00a0-31.42 | \n-10.76 | \n-20.98 | \n-31.42 | \n-11.62 | \n
| TS4 | \n-4943.78439 | \n0.07807 | \n-4943.862461 \n[19] | \n-4943.78599 | \n0.07807 | \n-4943.86406 | \n
| \u0394TS4 | \n-20.01 | \n-35.23 | \n-9.51 | \n-20.86 | \n-35.23 | \n-10.36 | \n
| S7 as product | \n-2787.10568 | \n0.04667 | \n-2787.152347 \n[20] | \n-2787.10608 | \n0.04667 | \n-2787.15275 | \n
| Cp2TiCl2 | \n-2156.70450 | \n0.04990 | \n-2156.754401 \n[21] | \n-2156.70456 | \n0.04990 | \n-2156.75447 | \n
| Product P | \n-4943.81017 | \n0.09657 | \n-4,943.906749 | \n-4943.81064 | \n0.09657 | \n-4,943.90722 | \n
| \u0394Product P | \n-36.19 | \n3.70 | \n-37.30 | \n-36.33 | \n3.70 | \n-37.43 \n(-36.9 lit) | \n
| 2a: | \n||||||
| Z=CMe2 | \n-2946.72598a \n-2946.72598b | \n0.06683 \n0.063808 | \n-2946.7928059 \n[22]–2946.789786 | \n-2946.72674 \n-2946.72674 | \n0.06683 \n0.063806 | \n-2946.79356 \n-2946.790542 | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4663.35729 \n-4663.35729 | \n0.10319 \n0.097158 | \n-4663.4604739 \n-4,663.454444 \n | \n-4663.35808 \n-4663.35808 | \n0.10319 \n0.097156 | \n-4663.46127 \n-4663.455242 | \n
| TS1 | \n-4663.35477a \n-4663.35477b | \n0.08445 \n0.081429 | \n-4663.439222 \n[23]-4663.436203 | \n-4663.35677 \n-4663.35677 | \n0.08445 \n0.081429 | \n-4663.44122 \n-4663.438201 | \n
| \u0394TS1a | \n1.58 | \n-39.45 | \n13.34 | \n0.82 | \n-39.46 | \n12.59 | \n
| \u0394TS1b | \n1.58 | \n-33.10 | \n11.45 | \n\n | -33.10 | \n10.69 | \n
| TS2 | \n-4663.36425 | \n0.08207 | \n-4663.446325 \n[24] | \n-4663.36574 | \n0.08207 | \n-4663.44782 | \n
| \u0394TS2 | \n-4.37 | \n-44.44 | \n8.88 | \n-4.80 | \n-44.44 | \n8.44 | \n
| 2b: | \n||||||
| Z=C(NMe2)2 | \n-3135.79512 \n-3135.79512 | \n0.07575\n 0.072730 | \n-3135.870870 \n[25]-3135.867852 | \n-3135.79611 \n-3135.79611 | \n\u00a00.07575 \n0.072730 | \n-3135.87186 \n-3135.86884 | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4852.4264 \n-4852.4264 | \n0.11212 \n0.10608 | \n-4852.538538 \n-4852.53251 | \n-4852.42745 \n-4852.42745 | \n0.11212 \n0.10608 | \n-4852.5396 \n-4852.53354 | \n
| TS1 | \n-4852.42719 \n-4852.42719 | \n0.09602 \n0.09300 | \n-4852.523215 \n[26] \n-4852.520196 \n | \n-4852.42964 \n-4852.42964 | \n0.09591 \n0.09289 | \n-4852.52555 \n-4852.522536 | \n
| \u0394TS1a | \n-0.49 | \n-33.86 | \n9.62 | \n-1.37 | \n-34.11 | \n8.80 | \n
| \u0394TS1b | \n-0.49 | \n-27.53 | \n7.27 | \n-1.37 | \n-27.76 | \n6.91 | \n
| TS2 | \n-4852.43669 | \n0.09143 | \n-4852.528126 \n[27] | \n-4852.43823 | \n0.09143 | \n-4852.52966 | \n
| \u0394TS2 | \n-6.44 | \n-43.54 | \n6.53 | \n-6.76 | \n-43.54 | \n6.22 | \n
| 6m: | \n||||||
| Z=C(CN)2 | \n-3052.59951 \n-3052.59951 | \n0.06956 \n0.06654 | \n-3052.669074 \n[28] \n-3052.666055 \n | \n-3052.60050 \n-3052.60050 | \n0.06956 \n0.06654 | \n-3052.67007 \n-3052.66705 | \n
| S2Cl2 | \n-1716.63131a \n-1716.63135b | \n0.03637 \n0.03335 | \n-1716.667668 \n[12] \n-1716.664658 | \n-1716.63135 \n-1716.63135 | \n0.03637 \n0.03335 | \n-1716.66771 \n-1716.66470 | \n
| Sum | \n-4769.23082 \n-4769.23082 | \n0.10593 \n0.09989 | \n-4769.336742 \n-4769.330713 | \n-4769.23185 \n-4769.23185 | \n0.10593 \n0.09989 | \n-4769.3378 \n-4769.33175 | \n
| TS1 | \n-4769.21540a \n-4769.21540b | \n0.08731 \n0.08423 | \n-4769.30271 \n[29] \n-4769.29970 \n | \n-4769.21759 \n-4769.21759 | \n0.08731 \n0.08423 | \n-4769.30490 \n-4769.30188 | \n
| \u0394TS1a | \n9.68 | \n-39.18 | \n21.36 | \n8.95 | \n-39.18 | \n20.63 | \n
| \u0394TSb | \n9.68 | \n-32.83 | \n19.46 | \n8.95 | \n-32.83 | \n18.74 | \n
| TS2 | \n-4769.22451 | \n0.08582 | \n-4769.310328 \n[30] | \n-4769.22626 | \n0.08582 | \n-4769.31208 | \n
| \u0394TS2 | \n3.96 | \n-42.32 | \n16.58 | \n3.51 | \n-42.32 | \n16.13 | \n
a0.0409M b1.0M cInt0 is ion pair comprising S+ and Cl– See Table 3 and scheme 3.
\n\u2021Currently at least, Gaussian is better supported by associated visualisation programs then ORCA.
\nThis post has DOI: 10.59350/1a48f-rj714
\nEs gibt vielerlei Begriffe, die \u00e4hnlich klingen, aber unterschiedliche Bedeutungen haben: Effektivit\u00e4t und Effizienz. Sympathie und Empathie. In Diskursen der Informationswissenschaften, zur Digitalisierung der Wissenschaft und aktuell im Zusammenhang mit der Barcelona Declaration on Open Research Information taucht regelm\u00e4\u00dfig ein anderes Begriffspaar auf, das ebenfalls \u00e4hnlich klingt, aber doch unterschiedliche Bedeutungen hat: Forschungsdaten und Forschungsinformationen.
\nIn diesem Beitrag m\u00f6chte ich beide Konzepte genauer definieren und deutlich voneinander trennen.
\nForschungsdaten beziehen sich auf alle Informationen, die w\u00e4hrend eines Forschungsprozesses gesammelt oder generiert werden. Dies k\u00f6nnen experimentelle Ergebnisse, empirische Umfragedaten, Satellitenfotos, Messwerte von Materialpr\u00fcfungen, Bilder, Audioaufnahmen und vieles mehr sein.
\nSie sind Ausgangsbasis f\u00fcr wissenschaftliche Analysen und Interpretationen. Wenn sie ver\u00f6ffentlicht werden, erm\u00f6glichen sie es Forschenden, diese Analysen und Interpretationen zu reproduzieren und zu \u00fcberpr\u00fcfen.
\nForschungsinformationen sind Metadaten \u00fcber Forschungsaktivit\u00e4ten, -akteur:innen und -ergebnisse. Dies sind zum Beispiel Beschreibungen von Projekten, Forschenden, Organisationen, Publikationen, Software oder Konferenzen.
\nSie werden unter anderem dazu verwendet,\u00a0 Forschende, F\u00f6rderer, die Politik und auch die \u00d6ffentlichkeit \u00fcber Ergebnisse und Auswirkung von Forschung zu informieren. Auch dienen sie zur Forschungsevaluierung und als Basis evidenzbasierter Wissenschaftspolitik.
\nJa, auf jeden Fall. Forschungsdaten sind Gegenstand von Forschungsinformationen. So wie ein wissenschaftlicher Zeitschriftenartikel in Metadaten beschrieben werden kann (wie wir es aus jedem Bibliothekskatalog kennen), so kann man auch Forschungsdaten beschreiben. Dies hier ist ein Beispiel f\u00fcr Forschungsinformationen \u00fcber Forschungsdaten:
\n
Hier wird ein Forschungsdatensatz in Metadaten beschrieben. Wir sehen hier unter anderem, dass es sich um einen Eintrag f\u00fcr ein Objekt des Typs \"Dataset\" handelt, dass dieses Objekt den DOI https://doi.org/10.22000/778 und den Namen \"LangenbachAMT2019\" hat. Es handelt sich hier also um Forschungsinformationen \u00fcber Forschungsdaten.
\nAnders herum k\u00f6nnen Forschungsinformationen auch Forschungsdaten sein – und zwar dann, wenn die Wissenschaft selbst der Untersuchungsgegenstand ist. In der Wissenschaftsforschung werden oftmals quantitative Untersuchungen von Koautorenschaften, von Zitationsbeziehungen oder zur Auswirkung von F\u00f6rderung auf bestimmte Forschungsfelder gemacht.
\nFazit: Forschungsinformationen und Forschungsdaten sind nicht dasselbe, auch wenn es durchaus inhaltliche \u00dcberschneidungen gibt.
","doi":"https://doi.org/10.65527/ne6d0-wgr47","guid":"http://blogs25.service.tib.eu/?p=23069","image":"https://blog.tib.eu/wp-content/uploads/2024/05/Forschungsinformationen_ungleich_Forschungsdaten.png","language":"de","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1715126400,"rid":"s5h2x-dzn19","summary":"read this article in English Es gibt vielerlei Begriffe, die \u00e4hnlich klingen, aber unterschiedliche Bedeutungen haben: Effektivit\u00e4t und Effizienz. Sympathie und Empathie.","tags":["BIBLIOTHEKSWELT","WISSENSCHAFTLICHES ARBEITEN","Lizenz:CC-BY-4.0-INT","Forschungsdaten","Forschungsinformationen"],"title":"Forschungsdaten oder Forschungsinformationen: Was ist der Unterschied?","updated_at":1789395938,"url":"https://blog.tib.eu/2024/05/08/forschungsdaten-oder-forschungsinformationen-was-ist-der-unterschied/","version":"v1"},{"authors":[{"contributor_roles":[],"family":"Build","given":"R"}],"blog":{"authors":[{"name":"Open.Make Team"}],"community_id":"7a2126c6-7a6c-4a76-ba56-4c86e1894036","created":1780876800,"current_feed_url":null,"description":"Recent content on Implementing open and FAIR hardware","doi":"https://doi.org/10.59350/openmake","favicon":"https://rogue-scholar.org/api/communities/7a2126c6-7a6c-4a76-ba56-4c86e1894036/logo","feed_format":"application/rss+xml","feed_url":"https://www.openmake.de/index.xml","filter":null,"generator":"Hugo","home_page_url":"https://www.openmake.de/","issn":null,"language":"eng","license":"https://creativecommons.org/licenses/by/4.0/legalcode","prefix":"10.59350","relative_url":null,"secure":null,"slug":"openmake","status":"active","subfield":"1708","title":"Implementing open and FAIR hardware","updated":1788739200,"use_api":null},"blog_name":"Implementing open and FAIR hardware","blog_slug":"openmake","content_html":"Play and Pee. A Pissoir for every bodies, an hardware concept built in 8 hours !\nWe report here from a 2 times 4-hours workshop that ended on the 1st of September,\nwhere a small trans-disciplinary team followed a method derived from our\nhardware documentation guide to\ncreated a concept for urban sanitation.
\n
After developing a guide for hardware documentation, we wondered how the documentation\nguide can also be used as a project development guide, and whether such\na guidance could be applied in trans-disciplinary settings.\nThanks to Pen's incoming fellowship, we had the possibility to test this hypothesis\nand organise a participatory workshop.\nThe short answer: it worked, not as planned but it worked.
\nSome years ago, I got involved in the looplab collective, born from the\nBUA grand challenge preparatory workshops. I got interested in the problems of\nurban sanitation and this was the opportunity to use and grow the network.
\nPen and I therefore prepared a workshop called\n\"Transdisciplinary workshop: hardware concept for urban sanitation\". I\nreached to different communities of makers, sanitation activist, podcaster, and\nresearchers and we could gather a team of height people (me included),\nhalf of them being members of the looplab team (me included again).
\nIt turned out we were a very divers group of very skilled people, including artists, social scientist,\nengineers, hacker, medical doctor, and biologist, all with some interesting and deep knowledge of the topic.
\nThe less short answer now. The goal of the first day was to build two teams and\ndecide what problems and vision each team will work on during the second day.\nWe started with a round of introduction, where each participant told the group about\ntheir background and relation to the topic (see below), while another participant was\ntaking notes on a small card.\nThen, after a short input on the topic (helped by a poster) and the daily schedule, each participant\ngot one participant card to pin on the topic board, so we got a visual representation\nof the main interests of the participants. We then added some elements in the topic\nposter using post-it, and discussed several projects people knew of.\nWe then had a speed dating round, with 4 rounds of 4 minutes where people were in groups\nof 3 and discussed freely.
\nThen the participants discussed several ideas (some of which emerged during\nthe speed dating)\nand I took notes using three notepads, one for actors, one for what they want,\nand one for what they wanted. After a pretty long round of discussion, we then read some randomised\ncombination of these 3 elements.\nIn the end, we discussed what mission we were giving us in a free round of discussion, and framed in the end\na vision for the work. Then ended the first day, with the missiong \"questioning the norms about toilet\". Day one ended with a\nsmall feedback round: everyone enjoyed the day, people wished for more speed dating and\n\"have a big piece of paper on the table\".
\nDay 2 started with documenting the team on the poster, it brought people together at the poster starting\nthe new day with an easy task. We had prepared a smaller table with a large piece of paper, I also\nput the cards written at the end of day one on it, as a reminder of ideas we developed.\nWe then started to discuss the problem we wanted to solve, taking notes on the big piece of paper.\nAfter about 45 minutes of group discussion, I borke the discussion to try a new approach:\neach participant wrote one problem they thought should be tackled on a card, we pinned them on\nthe wall. Then moved the cards in the center for ideas they thought would be best fit their interest.\nThis did not work well in term of choosing a problem,\nbut it broke the discussion and allowed us to test a different approach.
\nWe then moved to the actor description, the group mentioned different people who would be affected by the\nproject, stating their needs or whishes, while Pen took notes on cards he pinned on a board. For each actor,\nthe team frame how they could interact with a public toilet solution. We then read these interaction, to build a\ncapactity frame for the hardware solution.\nThen one of the\nparticipants draw a representation of the different actors, and the team wrote needs on cards they put on\nthe drawing. At the end, we reframed the mission and vision for the team \"toilet as a communal space, as a place to stay\nand experience our place in the ecosystem\". We then started to discuss the hardware solution we would envisage.\nThrough a rapid iterative discussion, ideas were discussed and refined. We discussed\ndifferent aspects of the solution, different modules which could be thought, and what element\nwe would develop first. It was like the idea was developing itself inside the discussions, and drawings helped\nframe it concretely. 20 minutes toward the end of the workshop, we had a team, a vision, a problem to solve and a\nconcept for a playfull peeing interactive machine. We could then discuss the next steps, where the team would next meet,\nand give a round of feedback.
\n\nThe concept is a pissoir which is set too high to be used. The user needs to take it down, change the angle of the pissoir to use it. Flushing happens when the pissoir is taken up again.
\nWe had prepared a pretty slick timeplan for the workshop,\nwith the plan to have two teams at the end of day 1,\nthe two teams were then supposed to work independently and report to each other on day 2.\nIn the end, most of the plan had to be modified on the spot, as free discussion spots were very productive,\nwe also needed more breaks than planned.\nThe participants were proactively drawing, bringing a very unexpected and efficient way to discuss\nideas and come to a common understanding.
\nImportantly, the core work-plan was followed, even if the timeplan was not.\nThe important aspect was to follow the\nhardware documentation guide, pushing discussions about solution to the end of the workshop, once people deeply discussed\ntheir team, vision, mission, the actors ecosystem, and requirements for the hardware.\nThe time plan was also important and used when the work was stalling.\nFor instance, the problem description discussion was not coming to a conclusion, and\ngoing back to the planned activity helped the team go forward.\nIt was also important to not come to conclusive answer anyway in the process.\nFor example, the team mission framed in day one was useful to come forward\nin the other tasks, but it was reframed at least twice during the workshop.
\n\nThe workshop was a success, it showed that the hardware documentation guide can be used\nas a guidance for project conceptualization. With the right format and team, one can get a\nextremely fitted concept in less than 10 hours.\nWe are eager to test whether the guide can also be used for prototyping\nand are organising the next workshop to test that hypothesis.
","doi":"https://doi.org/10.59350/datm4-s5d24","guid":"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic/","image":"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic//images/workshop-1.jpg","language":"en","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1788739200,"rid":"p4m0k-vpk75","summary":"Play and Pee. A Pissoir for every bodies, an hardware concept built in 8 hours ! We report here from a 2 times 4-hours workshop that ended on the 1st of September, where a small trans-disciplinary team followed a method derived from our hardware documentation guide to created a concept for urban sanitation.","title":"OSH as a method in participatory research: urban sanitation","updated_at":1789395862,"url":"https://www.openmake.de/blog/2026/09/07/2026-09-07-osh-as-a-method-in-participatory-research-urban-sanitation-as-topic/","version":"v1"},{"authors":[{"affiliation":[{"id":"https://ror.org/00f2yqf98","name":"Medizinische Hochschule Hannover"}],"contributor_roles":[],"family":"Fenner","given":"Martin","url":"https://orcid.org/0000-0003-1419-2405"}],"blog":{"authors":[{"name":"Martin Fenner","url":"https://orcid.org/0000-0003-1419-2405"}],"community_id":"15a362ea-8138-42b8-917f-1840a92addf8","created":1672531200,"current_feed_url":null,"description":"The Front Matter Blog covers the intersection of science and technology since 2007.","doi":"https://doi.org/10.53731/front_matter","favicon":"https://rogue-scholar.org/api/communities/15a362ea-8138-42b8-917f-1840a92addf8/logo","feed_format":"application/atom+xml","feed_url":"https://blog.front-matter.de/atom","filter":null,"generator":"Ghost","home_page_url":"https://blog.front-matter.de/","issn":"2749-9952","language":"eng","license":"https://creativecommons.org/licenses/by/4.0/legalcode","prefix":"10.53731","relative_url":null,"secure":true,"slug":"front_matter","status":"active","subfield":"1710","title":"Front Matter","updated":1788787489,"use_api":true},"blog_name":"Front Matter","blog_slug":"front_matter","content_html":"18 April 2009: I've updated the chart and added 2collab, the \"Read\" category, sharing of PDF files, and the Mendeley bookmarklet and full-text search.
15 July 2009: I've updated the chart to indicate that Mendeley and Labmeeting have integrated PDF viewers and that 2collab can search Scopus.
20 July 2009: I've added the offline version of RefWorks for Windows, EndNote OpenOffice plugin, and full-text search in several tools.
22 February 2010: Many small changes, including a few more categories. Added Citavi and dropped 2collab, LabMeeting, and Connotea.
6 August 2010: Added Mendeley API and iPhone app, EndNote X4 features.
19 September 2010: Moved chart to different location, PDF download, Creative Commons license.
","doi":"https://doi.org/10.53731/r294649-6f79289-8cw42","guid":"https://doi.org/10.53731/r294649-6f79289-8cw42","image":"https://storage.ghost.io/c/c5/33/c533c955-b5f3-4ff1-ae2d-6b52a212e602/content/images/2022/08/Reference-Manager-Overview.jpg","language":"en","license":"https://creativecommons.org/licenses/by/4.0/legalcode","published_at":1237075200,"rid":"97hfg-v5103","summary":" 18 April 2009: I've updated the chart and added 2collab, the \"Read\" category, sharing of PDF files, and the Mendeley bookmarklet and full-text search. 15 July 2009: I've updated the chart to indicate that Mendeley and L abmeeting have integrated PDF viewers and that 2collab can search Scopus. 20 July 2009: I've added the offline version of RefWorks for Windows, EndNote OpenOffice plugin, and ","tags":["Feature"],"title":"Reference Manager Overview","updated_at":1789395779,"url":"https://blog.front-matter.de/posts/reference-manager-overview/","version":"v1"}],"out_of":55769,"page":1,"per_page":10,"total-results":55769}