In an era when alternative facts and fake news afflict us, the provenance of scientific data becomes ever more important. Especially if that data is available as open access and exploitable by others for both valid scientific reasons but potentially also by those with other motives. Here I consider the audit trail that might serve to establish data provenance in one typical situation in chemistry, the acquisition of NMR instrumental data.
Posts Tagged ‘author’
Tags:Acquisition, Archival science, author, collection software, Company: NMR, data, Data management, data processing software, Evidence law, instrument data collection software, local authentication systems, Mestrenova, MestreNova system, Nuclear magnetic resonance, principal investigator, Provenance, Scientific method, service manager, spectrometer software, supervisor, Technology/Internet, Terminology
Posted in Chemical IT | 2 Comments »
Another conference, a Cambridge satellite meeting of OpenCon, and I quote here its mission: “OpenCon is a platform for the next generation to learn about Open Access, Open Education, and Open Data, develop critical skills, and catalyze action toward a more open system of research and education” targeted at students and early career academic professionals. But they do allow a few “late career” professionals to attend as well!
Tags:Academia, author, chemist, City: Cambridge, Company: Twitter, ELife, Erin McKiernan, keynote speaker, Max Planck Society, programmer, Simon Deakin, Social Media & Networking, speaker, Technology/Internet, Wellcome Trust
Posted in Chemical IT, General | 3 Comments »
This week the ACS announced its intention to establish a “ChemRxiv preprint server to promote early research sharing“. This was first tried quite a few years ago, following the example of especially the physicists. As I recollect the experiment lasted about a year, attracted few submissions and even fewer of high quality. Will the concept succeed this time, in particular as promoted by a commercial publisher rather than a community of scientists (as was the original physicists model)?
Tags:Academia, Academic publishing, article processing charge, author, Data publishing, Data sharing, food, Grey literature, Open access, Open science, PDF, Peter Murray-Rust, pre-print server, Preprint, preprint server, Public sphere, Publishing, Scholarly communication, Technology/Internet
Posted in Chemical IT | 1 Comment »
The university sector in the UK has quality inspections of its research outputs conducted every seven years, going by the name of REF or Research Excellence Framework. The next one is due around 2020, and already preparations are under way! Here I describe how I have interpreted one of its strictures; that all UK funded research outputs (i.e. research publications in international journals) must be made available in open unrestricted form within three months of the article being accepted for publication, or they will not be eligible for consideration in 2020.
Tags:Academia, Academic publishing, Archival science, author, Data management, Digital library, EPrints, Institutional repository, Knowledge, Knowledge representation, Library science, metadata, Open access, PDF, personal web page, Preprint, Publishing, Repository, researcher, ROMEO GREEN, Science, Technology/Internet, United Kingdom, web server
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Blogging in chemistry remains something of a niche activity, albeit with a variety of different styles. The most common is commentary or opinion on the scientific literature or conferencing, serving to highlight what their author considers interesting or important developments. There are even metajournals that aggregate such commentaries. The question therefore occasionally arises; should blogs aspire to any form of permanence, or are they simply creatures of their time.
I reminisced about the wonderfully naive but exciting Web-period of 1993-1994. This introduced the server-log analysis to us for the first time, and hits-on-a-web-page. One of our first attempts at crowd-sourcing and analysis was to run an electronic conference in heterocyclic chemistry and to look at how the attendees visited the individual posters and presentations by analysing the server logs.
Cavities promote reactions, and they can also trap the products of reactions. Such (supramolecular) chemistry is used to provide models for how enzymes work, but it also allows un-natural reactions to be undertaken. A famous example is the preparation of P4 (see blog post here), an otherwise highly reactive species which, when trapped in the cavity is now sufficiently protected from the ravages of oxygen for its X-ray structure to be determined. A colleague recently alerted me to a just-published article by Legrand, van der Lee and Barboiu (DOI: 10.1126/science.1188002) who report the use of cavities to trap and stabilize the notoriously (self)reactive 1,3-dimethylcyclobutadiene (3/4 in the scheme below). Again sequestration by the host allowed an x-ray determination of the captured species!
Tags:author, Barboiu, catalysis, cavity, crystalline calixarene network, cyclobutadiene, Diels Alder, free energy, free energy barrier, gas phase calculation, host/guest, Interesting chemistry, Legrand, pericyclic, Prins, supramolecular, van der Lee, watoc11, X-ray
Posted in Interesting chemistry | 8 Comments »