Open Access examples of articles citing Data identifiers

These are examples of how research data managed at the Department of Chemistry, Imperial College London during the period 2013-2015 has been published and cited in primary research journals.

1. H. S. Rzepa, Chemical datuments as scientific enablers, J. Chemoinformatics, 2013, 4, doi: 10.1186/1758-2946-5-6, shortdoi: 9qg
   • Data is cited as follows: Additional file 1. Interactivity box 1. Data-based object illustrating various aspects of the interaction at the heart of Z-DNA.
   • A footnote in the preceding object cites further data, as: The original complete data set is also available at http://dx.doi.org/10042/to-13541 via a digital repository.
2. M. J. S. Gomes, L. F. V. Pinto, H. S. Rzepa, S. Prabhakar, An. M. Lobo, N-Heteroatom Substitution Effects in 3-Aza-Cope Rearrangements, Chemistry Central, 2013, 7:94. doi: 10.1186/1752-153X-7-94, shortdoi: 9qf
   • Data is cited in interactive Table S1, see doi: 10.14469/hpc/328 using dataDOIs referencing a data repository, as eg http://doi.org/10042/to-8576 and 11 other examples.
3. M. J. Fuchter, Ya-Pei Lo and H. S. Rzepa, Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms, J. Org. Chem., 2013, 78, 11646–11655. doi: 10.1021/jo401316a, shortdoi: 9p3
   • Data is cited in the experimental section, in the following manner: Full details of all calculations are available via the individual digital repository entries associated with Interactivity Box (Web enhanced objects) available with this article (doi 10.6084/m9.figshare.797484, shortdoi: rns) or directly by the following doi resolvers: TS1, http://doi.org/10042/to-13699 and ~40 further entries and the following supplemental data: http://dx.doi.org/10.6084/m9.figshare.777773, shortdoi: rnf.
4. D. C. Braddock, J. Clarke and H. S. Rzepa Epoxidation of Bromoallenes Connects Red Algae Metabolites by an Intersecting Bromoallene Oxide - Favorskii Manifold, Chem. Comm., 2013, 49, 11176-11178. doi: 10.1039/C3CC46720A, shortdoi: 9p2
   • Data is cited as Ref 20 and 21 as an Interactivity box, datadoi: 10.6084/m9.figshare.785756, shortdoi: n6q and further references to individual datasets are available in this object.
5. A. Armstrong, R. A. Boto, P. Dingwall, J. Contreras-García, M. J. Harvey, N. Mason and H. S. Rzepa, The Houk-List Transition states for organocatalytic mechanisms revisited, Chem. Sci., 2014, 5, 2057-2071. doi: 10.1039/C3SC53416B, shortdoi: 9p4
   • Data is cited with the following declaration: Each data table or data Figure is assigned a doi in the Figshare repository (see footnotes), all retrievable as e.g. shortdoi: http://doi.org/qd8.
   • Figure 1. The effect of including a D3-dispersion correction on the calculated geometry of the Houk-List transition state, R=Ph, shortdoi: qd8
   • Table 1. Transition state energies (R=Ph) calculated using the Houk-List method, shortdoi: p9d
   • Table 2. Basis set superposition errors calculated for Houk-List transition state, R=Ph, shortdoi: qd7
   • Table 3. Calculated transition state properties for R=Ph (scheme 2), shortdoi: qcc
   • Table 4. Calculated transition state properties for R=iPr (scheme 2), shortdoi: qcd
   • Table 6. Passive explicit solvation of the Houk-List transition state, R=Ph, shortdoi: qcs
   • Table 7. Proton relay mechanism, R=Ph, shortdoi: qc3
   • Table 8. Houk-List Transition state analogues, shortdoi: qc4
   • Each figure or table contains further data citations (~20 per table).
6. S. Lai, H. S. Rzepa, and S. Díez-González, N-Heterocyclic Carbene or Phosphine-Containing Copper(I) Complexes for the Synthesis of 5-Iodo-1,2,3-Triazoles: Catalytic and Mechanistic Studies, ACS Catalysis, 2014, 4, 2274–2287. doi: 10.1021/cs500326e, shortdoi: 9p5
   • Data is cited as footnotes to individual tables (Table 5, Table 7, Table 9)
   • and in the section Associated content at the end of the article, citing Interactive Tables 1, doi: 10.6084/m9.figshare.865637, Table 2, 10.6084/m9.figshare.865638, Table 3, 10.6084/m9.figshare.865639, Table 4, 10.6084/m9.figshare.1029169 and Table 5,10.6084/m9.figshare.1030188 which themselves cite further datadois.
7. M. J. Harvey, N. J. Mason and H. S. Rzepa, Digital data repositories in chemistry and their integration with journals and electronic laboratory notebooks, J. Chem. Inf. Model., 2014, 54, 2627–2635. doi: 10.1021/ci500302p
   • This article discusses the technology behind five examples of articles which themselves contain citations to data.
8. E. H. Smith, H. S. Rzepa and M. Hii, Asymmetric epoxidation: a twinned laboratory and molecular modelling experiment, J. Chem. Ed., 2015, 2015, 80, 4370–4377. doi:10.1021/ed500398e, shortdoi: 9p6
   • Data is cited as Refs 17 (doi: 10.6084/m9.figshare.988346, shortdoi: tb3) and 18 (doi: 10.6084/m9.figshare.1293562, shortdoi: znk)
9. M. J. Harvey, N. J. Mason, A. McLean and H. S. Rzepa, Standards-based metadata procedures for retrieving data for display or mining utilizing Persistent (data-doi) Identifiers, 2015, J. Cheminformatics, doi:10.1186/s13321-015-0081-7, shortdoi: 73z
   • Data and software is cited as references 27 (10.6084/m9.figshare.1266197, shortdoi: xn3) and 28 (10.6084/m9.figshare.1342036, shortdoi: 2zb).
10. T. Lanyon-Hogg, M. Ritzefeld, N. Masumoto, A. I. Magee, H. S. Rzepa and E. W. Tate, Modulation of cis-Trans Amide Bond Rotamers in 5-Acyl-6,7-dihydrothieno[3,2-c]pyridines, Org. Chem., 2015, 80, 4370–4377. doi: 10.1021/acs.joc.5b00205, shortdoi: 9p9
    • Data is cited as ref 15, in the form: An interactive table corresponding to the data for these calculations and the experimental details can be retrieved from a digital repository: Rzepa, H. S.; Lanyon-Hogg, T.; Ritzefeld, M.; Masumoto, N.; Magee, A. I.; Tate, E. W. Figshare 2014, doi:10.6084/m9.figshare.1181739, shortdoi: vz9. NCI surfaces were created using the resource doi:10.6084/m9.figshare.811862, shortdoi: n5b. Retrieved 08:15, Nov 08, 2014 (GMT).
11. M. J. Harvey, N. J. Mason, A. Mclean and H. S. Rzepa, Digital repository curation. SWORD-endpoint creation and Data Visualisations using metadata exchange standards, 2015, J. Cheminformatics, doi: 10.1186/s13321-015-0093-3, shortdoi: 73x
    • Data is cited as refs 36 ( doi:10.6084/m9.figshare.1342036, shortdoi: 2zb) and ref 50 (10.6084/m9.figshare.1330063, shortdoi:6cq).
12. C. Romain, Y. Zhu, P. Dingwall, S. Paul, H. S. Rzepa, A. Buchard and C. K. Williams, Chemo-Selective Polymerizations Using Mixtures of Epoxide, Lactone, Anhydride and CO2, J. Am. Chem. Soc., 2016, doi: 10.1021/jacs.5b13070
    • Data is cited in the captions to Figures 4 (doi: 10.14469/hpc/275) and 5 (doi: 10.14469/hpc/278), in the interactive versions of Figures 10 (also doi: 10.14469/hpc/255) and 11 (also doi: 10.14469/hpc/256) and in the supporting information (doi: 10.14469/hpc/244).

Subscription (non-open) Access examples of articles citing Data identifiers

There are numerous further examples of data citation using persistent (digital object) identifiers (DOIs) in subscription-only journals dating back to 2006. For a list and further examples dating back to 1994, see e.g. http://www.ch.imperial.ac.uk/rzepa/blog/?p=701 and doi: 10.15200/winn.144913.32187, shortdoi: 9qh