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Physical Sciences and Mathematics Commons™
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Articles 1 - 9 of 9
Full-Text Articles in Physical Sciences and Mathematics
Open Data, Open Source, And Open Standards In Chemistry: The Blue Obelisk Five Years On, Andrew Lang, Noel M. O'Boyle, Rajarshi Guha, Egon Willighagen, Samuel Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jerome Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust
Open Data, Open Source, And Open Standards In Chemistry: The Blue Obelisk Five Years On, Andrew Lang, Noel M. O'Boyle, Rajarshi Guha, Egon Willighagen, Samuel Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jerome Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust
College of Science and Engineering Faculty Research and Scholarship
Background: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by promoting interoperability between chemistry software, encouraging cooperation between Open Source developers, and developing community resources and Open Standards. Results: This contribution looks back on the work carried out by the Blue Obelisk in the past 5 years and surveys progress and remaining challenges in the areas of Open Data, Open Standards, and Open Source in chemistry. Conclusions: We show that the Blue …
Chemistry In Second Life. Part 2. A World Of Education And Networking, Andrew Lang, Jean-Claude Bradley
Chemistry In Second Life. Part 2. A World Of Education And Networking, Andrew Lang, Jean-Claude Bradley
College of Science and Engineering Faculty Research and Scholarship
Second Life visualisations can be scripted for immersive educational activities and real-life collaborative research. Social networking through Second Life is another spin-off for both chemists and chemistry students.
Chemistry In Second Life. Part 1. A World Of Visualisation, Andrew Lang, Jean-Claude Bradley
Chemistry In Second Life. Part 1. A World Of Visualisation, Andrew Lang, Jean-Claude Bradley
College of Science and Engineering Faculty Research and Scholarship
The multi-user virtual environment of Second Life is not limited tothe realms of role-play or romance. It can be a platform for the interactive and collaborative visualisation of molecules, spectraand experimental data.
Open Notebook Science Challenge Solubilities Of Organic Compounds In Organic Solvents, Andrew Lang, Jean-Claude Bradley, Cameron Neylon, Rajarshi Guha, Antony J. Williams, Bill Hooker, Brent Friesen
Open Notebook Science Challenge Solubilities Of Organic Compounds In Organic Solvents, Andrew Lang, Jean-Claude Bradley, Cameron Neylon, Rajarshi Guha, Antony J. Williams, Bill Hooker, Brent Friesen
College of Science and Engineering Faculty Research and Scholarship
The Open Notebook Science Solubility Challenge Solubility is an important consideration for many chemistry applications. Synthetic chemists usually use a solvent to perform reactions and knowledge of the solubility of the starting materials or products can be very useful to pick an appropriate solvent. Analytical chemists can use solubility to design separation techniques and factor in dynamic range considerations. Physical chemists can create and evaluate their models of how molecules interact in the solubilization and precipitation processes. Solubility data can be obtained from a variety of online and offline sources. As with all chemical data, it can be a challenge …
Chemistry In Second Life, Andrew Lang, Jean-Claude Bradley
Chemistry In Second Life, Andrew Lang, Jean-Claude Bradley
College of Science and Engineering Faculty Research and Scholarship
This review will focus on the current level on chemistry research, education, and visualization possible within the multi-user virtual environment of Second Life. We discuss how Second Life has been used as a platform for the interactive and collaborative visualization of data from molecules and proteins to spectra and experimental data. We then review how these visualizations can be scripted for immersive educational activities and real-life collaborative research. We also discuss the benefits of the social networking affordances of Second Life for both chemists and chemistry students.
Chemistry In Second Life, Andrew Lang, Jean-Claude Bradley
Chemistry In Second Life, Andrew Lang, Jean-Claude Bradley
College of Science and Engineering Faculty Research and Scholarship
This review will focus on the current level on chemistry research, education, and visualization possible within the multi-user virtual environment of Second Life. We discuss how Second Life has been used as a platform for the interactive and collaborative visualization of data from molecules and proteins to spectra and experimental data. We then review how these visualizations can be scripted for immersive educational activities and real-life collaborative research. We also discuss the benefits of the social networking affordances of Second Life for both chemists and chemistry students.
The Spectral Game: Leveraging Open Data And Crowdsourcing For Education, Andrew Lang, Jean-Claude Bradley, Robert J. Lancashire, Anthony J. Williams
The Spectral Game: Leveraging Open Data And Crowdsourcing For Education, Andrew Lang, Jean-Claude Bradley, Robert J. Lancashire, Anthony J. Williams
College of Science and Engineering Faculty Research and Scholarship
We report on the implementation of the Spectral Game, a web-based game where players try to match molecules to various forms of interactive spectra including 1D/2D NMR, Mass Spectrometry and Infrared spectra. Each correct selection earns the player one point and play continues until the player supplies an incorrect answer. The game is usually played using a web browser interface, although a version has been developed in the virtual 3D environment of Second Life. Spectra uploaded as Open Data to ChemSpider in JCAMP-DX format are used for the problem sets together with structures extracted from the website. The spectra are …
Visualizing Atomic Orbitals Using Second Life, Andrew Lang, David C. Kobilnyk
Visualizing Atomic Orbitals Using Second Life, Andrew Lang, David C. Kobilnyk
College of Science and Engineering Faculty Research and Scholarship
No abstract provided.
Visualizing Atomic Orbitals Using Second Life, Andrew Lang, David C. Kobilnyk
Visualizing Atomic Orbitals Using Second Life, Andrew Lang, David C. Kobilnyk
College of Science and Engineering Faculty Research and Scholarship
We demonstrate the usefulness of Second Life as a platform for enlivening major concepts in chemistry education. These concepts include absorption spectra, selection rules, quantum numbers, and atomic orbital shapes. We have built several exhibits in Second Life which provide 3-dimensional interactivity for each of those areas: an interactive experiment showing the absorption spectrum of hydrogen, an interactive model of selection rules showing allowed and forbidden transitions for each state, a 3-dimensional grid of orbitals showing the constraints on the values of quantum numbers, and a large-scale interactive orbital display allowing the user to choose and rotate to-scale atomic orbitals …