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Code:
PC
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Time Slot/Poster Number:
054
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Session:
Education/Facilities, Poster
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The Spectral Game – Teaching NMR Spectroscopy Via a Web Browser
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| Antony Williams1; Jean-Claude Bradley2; Robert Lancashire3; Andrew Lang4
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1Royal Society of Chemistry, Wake Forest, NC; 2Drexel University, Department of Chemistry, Philadelphia, Pennsylvania; 3The University of the West Indies, Kingston, Jamaica; 4Oral Roberts University, Tulsa, Oklahoma
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| Abstract |
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. Each correct selection earns the player one point and play continues until the player supplies an incorrect answer. The game is played using a web browser interface using spectra from the ChemSpider database (www.chemspider.com) for the problem sets together with structures extracted from the website. Spectra are displayed using JSpecView, an Open Source spectrum viewing applet which affords zooming and integration of JCAMP spectra. Players of the game provide both active and passive feedback regarding the quality of the spectral data resulting in crowd sourced curation and validation of the data.
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Code:
PC
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Time Slot/Poster Number:
055
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Session:
Education/Facilities, Poster
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ChemSpider – Building an Online Database of Open Spectra
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| Antony Williams; Valery Tkachenko
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Royal Society of Chemistry, Wake Forest, NC
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| Abstract |
ChemSpider is an online database of over 20 million chemical compounds sourced from over 300 different sources including government laboratories, chemical vendors, public resources and publications. Developed with the intention of building community for chemists ChemSpider allows its users to deposit data including structures, properties, links to external resources and various forms of spectral data. Over the past three years ChemSpider has aggregated almost 3000 high quality NMR spectra and continues to expand as the community deposits additional data. The majority of spectral data is licensed as Open Data allowing it to be downloaded and reused in presentations, lesson plans and for teaching purposes.
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Code:
PC
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Time Slot/Poster Number:
056
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Session:
Education/Facilities, Poster
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NMR facility opening at the North Carolina Research Campus
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| Kevin Knagge
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David H. Murdock Research Institute, Kannapolis, NC
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| Abstract |
Recently, the David H. Murdock Research Institute has opened an NMR facility in Kannapolis, North Carolina. The NMR facility contains a Bruker 950 MHz equipped with Avance III console and TCI cryoprobe. The facility also contains other Bruker instruments with LC-NMR tandem experiment capabilities and a Bruker SampleJet with capabilities of automating data collection for up to 480 samples. The NMR facility is open to all scientists with many models for collaboration. Current projects include analysis of natural products for anti-malaria and anti-colon cancer drugs, analysis of protein structure and binding in application of anti-HIV drugs, water diffusion studies in food drying and preparation analysis, and Metabolomics studies. The DHMRI also includes a variety of other core laboratory facilities.
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Code:
PC
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Time Slot/Poster Number:
057
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Session:
Education/Facilities, Poster
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Technologies for Tomorrow: Expanded Capabilities at the EMSL User Facility Supporting Innovative Solid- and Liquid-State Research in Biosystems and Materials
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| Nancy Isern1; Hardeep Mehta1; David Hoyt1; Jesse Sears1; Eric Walter1; Sarah Burton1; Joseph Ford1; Donald Rommereim1; Michael Froehlke1; Andrew Lipton2; Jian Zhi Hu2; Paul Majors2; Kevin MInard2; Paul Ellis2
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1Environmental Molecular Sciences Lab, PNNL, Richland , Washington; 2Pacific Northwest National Laboratory, Richland, Washington
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| Abstract |
EMSL, the Environmental Molecular Sciences Laboratory, is a Department of Energy national scientific user facility located at Pacific Northwest National Laboratory in Richland, Washington. EMSL houses an array of cutting-edge scientific equipment for research critical to our nation’s needs, available on a peer-reviewed proposal basis to researchers worldwide. Capabilities include cell isolation and systems analysis, deposition and microfabrication, mass spectrometry, microscopy, molecular science computing, NMR and EPR, spectroscopy and diffraction, and subsurface flow and transport. EMSL instrumentation and expertise facilitate research in diverse fields, including materials development, catalysis, structural biology and metabolomics. This year EMSL would like to announce significant expected capability enhancements, including new high-field EPR and solid-state NMR capabilities; in addition, we will present selected user research.
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