Archive for August, 2016
Wednesday, August 17th, 2016
In the previous post, I noted that a chemistry publisher is about to repeat an earlier experiment in serving pre-prints of journal articles. It would be fair to suggest that following the first great period of journal innovation, the boom in rapid publication “camera-ready” articles in the 1960s, the next period of rapid innovation started around 1994 driven by the uptake of the World-Wide-Web. The CLIC project[1] aimed to embed additional data-based components into the online presentation of the journal Chem Communications, taking the form of pop-up interactive 3D molecular models and spectra. The Internet Journal of Chemistry was designed from scratch to take advantage of this new medium.[2] Here I take a look at one recent experiment in innovation which incorporates “augmented reality”.[3]
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References
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D. James, B.J. Whitaker, C. Hildyard, H.S. Rzepa, O. Casher, J.M. Goodman, D. Riddick, and P. Murray‐Rust, "The case for content integrity in electronic chemistry journals: The CLIC project", New Review of Information Networking, vol. 1, pp. 61-69, 1995. http://dx.doi.org/10.1080/13614579509516846
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S.M. Bachrach, and S.R. Heller, "TheInternet Journal of Chemistry:A Case Study of an Electronic Chemistry Journal", Serials Review, vol. 26, pp. 3-14, 2000. http://dx.doi.org/10.1080/00987913.2000.10764578
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S. Ley, B. Musio, F. Mariani, E. Śliwiński, M. Kabeshov, and H. Odajima, "Combination of Enabling Technologies to Improve and Describe the Stereoselectivity of Wolff–Staudinger Cascade Reaction", Synthesis, vol. 48, pp. 3515-3526, 2016. http://dx.doi.org/10.1055/s-0035-1562579
Tags:Academia, Academic publishing, Boom, Design, Design Services, General, Innovation, Internet Journal, online presentation, Preprint, Publishing, reaction energy profile, technology helps, Web browser, web-based molecular viewer
Posted in Uncategorised | 1 Comment »
Tuesday, August 16th, 2016
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)?
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Tags:Academia, Academic publishing, article processing charge, author, Chemical IT, 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
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Monday, August 8th, 2016
The previous post contained an exploration of the anomeric effect as it occurs at an atom centre X for which the effect is manifest in crystal structures. Here I quantify the effect, by selecting the test molecule MeO-X-OMe, where X is of two types:
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Tags:Anomer, Anomeric effect, Atomic orbital, Carbohydrate chemistry, Carbohydrates, Chemical bond, chemical bonding, Chemistry, Hydrogen bond, interaction energy, Interesting chemistry, Lone pair, Physical organic chemistry, Quantum chemistry
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Saturday, August 6th, 2016
In the last few posts, I have explored the anomeric effect as it occurs at an atom centre X. Here I try to summarise the atoms for which the effect is manifest in crystal structures.
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Tags:Acetals, Alkane stereochemistry, Anomer, Anomeric effect, Atomic orbital, Carbohydrate chemistry, Carbohydrates, Chemical bond, Chemistry, interaction energy, Interesting chemistry, Lone pair, Physical organic chemistry, Stereochemistry
Posted in crystal_structure_mining | No Comments »
Monday, August 1st, 2016
In March, I posted from the ACS meeting in San Diego on the topic of Research data: Managing spectroscopy-NMR, and noted a talk by MestreLab Research on how a tool called Mpublish in the forthcoming release of their NMR analysis software Mestrenova could help. With that release now out, the opportunity arose to test the system.
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Tags:Acrobat, analysis software, chemical, Chemical IT, Chemistry, City: San Diego, format type chemical/x-mnpub, media type, Mestrenova, non-commercial open software packages, Nuclear magnetic resonance, Nuclear magnetic resonance spectra database, Nuclear magnetic resonance spectroscopy, PDF, public key, Science, Scientific method, spectroscopy, Technology/Internet
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