HClark+Log

Chem Info Retrieval 2011

Log

10/19/2011

Assignment #1 Chemical Properties


 * **Compound** || **Picture** || **CSID** || L**ink to CS Entry** || **Smiles** || **CAS** || **Credit** ||
 * Dimethyl Sulfide || [[image:cheminfo2011/1039.png]] || 1039 || http://www.chemspider.com/1039 || S(C)C || 75-18-3 || H.J.Clark ||
 * Property 1: Melting Point**


 * **Data Source** || **Experimental or Predicted** || **Source Value** || **Source Units** || **Common Value** || **Common Units** || **Link** || **Data Source Type** || Image ||
 * Oxford || Experimental || -98 || C || 175.15 || K || http://msds.chem.ox.ac.uk/ME/methyl_sulfide.html || Academic Site ||  ||
 * Alfa Aesar || Experimental || -83 ||  || 190.15 || K || http://www.alfa.com/en/GP100w.pgm?DSSTK=022949 || Chemical Vendor ||   ||
 * Osborne, Darrell W., Russell N. Doescher, and Don M. Yost. 1942. The heat capacity, heats of fusion and vaporization, vapor pressure and entropy of dimethyl sulfide. //Journal of the American Chemical Society// 64 (1) (01/01; 2011/11): 169-72. || Experimental || -98.31 || C || 175.46 || K || http://pubs.acs.org/doi/abs/10.1021/ja01253a045 || Peer Reviewed Journal ||  ||
 * Palko, A. A., Drury, J.S. Separation of Boron Isotopes. IV. The Methyl Sulfide-BF3 System. //Journal of Chemical Physics//. 33. 3. 779. || Experimental || -98.3 || C || 174.85 || K || [] || Peer Reviewed Journal ||  ||
 * McAllan, D. T., T. V. Cullum, R. A. Dean, and F. A. Fidler. 1951. The preparation and properties of sulfur compounds related to petroleum. I. the dialkyl sulfides and Disulfides1. //Journal of the American Chemical Society// 73 (8) (08/01; 2011/11): 3627-32. || Experimental || -98.25 || C || 174.9 || K || http://pubs.acs.org/doi/abs/10.1021/ja01152a021 || Peer Reviewed Journal ||  ||
 * Property 2: Boiling Point**

Reviewed Journal || Reviewed Journal ||
 * **Data Source** || **Experimental or Predicted** || **Source Value** || **Source Units** || **Common Value** || **Common Units** || **Link** || **Data Source Typ** ||
 * OXford || Experimental || 38 || C || 311.15 || K || http://msds.chem.ox.ac.uk/ME/methyl_sulfide.html || Academic Site ||
 * Chemical Land || Experimental || 36-37 || C || 309.15-310.15 || K || http://chemicalland21.com/industrialchem/solalc/DIMETHYL%20SULFIDE.htm || Chemical Vendor ||
 * Detty, Michael R., and Mark D. Seidler. 1982. Bis(trialkylsilyl) chalcogenides. 1. preparation and reduction of group VIA oxides. //The Journal of Organic Chemistry// 47 (7) (03/01; 2011/11): 1354-6. || Experimental || 38-40 || C || 311.15-313.15 || K || http://pubs.acs.org/doi/abs/10.1021/jo00346a041 || Peer Reviewed Journal ||
 * Farwell, S. O., S. J. Gluck, W. L. Bamesberger, T. M. Schutte, and D. F. Adams. 1979. Determination of sulfur-containing gases by a deactivated cryogenic enrichment and capillary gas chromatographic system. //Analytical Chemistry// 51 (6) (05/01; 2011/11): 609-15. || Experimental || 37.3 || C || 310.20 || K || http://pubs.acs.org/doi/abs/10.1021/ac50042a007 || Peer
 * Detty, Michael R. 1979. Mild reductions of oxides of the group 6a elements sulfur, selenium, and tellurium with (phenylseleno)trimethylsilane. //The Journal of Organic Chemistry// 44 (25) (12/01; 2011/11): 4528-31. || Experimental || 35-37 || C || 308.15-310.15 || K || http://pubs.acs.org/doi/abs/10.1021/jo00393a015 || Peer
 * Property 3: Flash Point**


 * **Data Source** || **Experimental or Predicted** || **Source Value** || **Source Units** || **Common Value** || **Common Units** || **Link** || **Data Source Type** ||
 * Oxford || Experimental || -36 || C ||  || K || http://msds.chem.ox.ac.uk/ME/methyl_sulfide.html || Academic Site ||
 * Alfa Aesar || Experimental || -48 || C ||  || K || http://www.alfa.com/en/GP100w.pgm?DSSTK=022949 || Chemical Vendor ||
 * ChemBlink || Experimental || -37 || C ||  || K || http://www.chemblink.com/products/75-18-3.htm || Chemical Vendor ||
 * OSHA || Experimental || -49 || C ||  || K || http://www.osha.gov/dts/chemicalsampling/data/CH_236505.html || Government Database ||
 * TomsonChem || Experimental || -34 || C ||  || K || http://www.tomsonchem.com/contract_show.asp?cas=75-18-3 || Chemical Vendor ||
 * Property 4: Density**


 * **Data Source** || **Experimental or Predicted** || **Source Value** || **Source Units** || **Temperature** || **Units** || **Link** || **Data Source Type** ||
 * Oxford || Experimental || 0.846 || g cm^-3 || 20 || C || http://msds.chem.ox.ac.uk/ME/methyl_sulfide.html || Academic Site ||
 * Alfa Aesar || Experimental || 0.845 || g cm^-3 || 20 || C || http://www.alfa.com/en/GP100w.pgm?DSSTK=022949 || Chemical Vendor ||
 * Chemical Land || Experimental || 0.848 || g cm^-3 || 20 || C || http://chemicalland21.com/industrialchem/solalc/DIMETHYL%20SULFIDE.htm || Chemical Vendor ||
 * Palko, A. A., Drury, J.S. Separation of Boron Isotopes. IV. The Methyl Sulfide-BF3 System. //Journal of Chemical Physics//. 33. 3. 779. || Experimental || 0.847 || g cm^-3 || 20 || C || [] || Peer Reviewed Journal ||
 * McAllan, D. T., T. V. Cullum, R. A. Dean, and F. A. Fidler. 1951. The preparation and properties of sulfur compounds related to petroleum. I. the dialkyl sulfides and Disulfides1. //Journal of the American Chemical Society// 73 (8) (08/01; 2011/11): 3627-32. || Experimental || 0.8483 || g cm^-3 || 20 || C || http://pubs.acs.org/doi/abs/10.1021/ja01152a021 || Peer Reviewed Journal ||
 * Property 5: Refractive Index**


 * **Data Source** || **Experimental or Predicted** || **Temperature** || **Units** || **Source Value** || **Link** || **Data Source Type** ||
 * Alfa Aesar || Experimental || 20 || C || 1.4351 || http://www.alfa.com/en/GP100w.pgm?DSSTK=022949 || Chemical Vendor ||
 * McAllan, D. T., T. V. Cullum, R. A. Dean, and F. A. Fidler. 1951. The preparation and properties of sulfur compounds related to petroleum. I. the dialkyl sulfides and Disulfides1. //Journal of the American Chemical Society// 73 (8) (08/01; 2011/11): 3627-32. || Experimental || 20 || C || 1.4353 || http://pubs.acs.org/doi/abs/10.1021/ja01152a021 || Peer Reviewed Journal ||
 * Palko, A. A., Drury, J.S. Separation of Boron Isotopes. IV. The Methyl Sulfide-BF3 System. //Journal of Chemical Physics//. 33. 3. 779. || Experimental || 20 || C || 1.4349 || [] || Peer Reviewed Journal ||
 * wikipedia || Experimental || 20 || C || 1.435 || http://en.wikipedia.org/wiki/Dimethyl_sulfide || Crowd sourced database ||
 * Chemical Land || Experimental || 20 || C || 1.4350-1.4365 || http://chemicalland21.com/industrialchem/solalc/DIMETHYL%20SULFIDE.htm || Chemical Vendor ||


 * [Put in Cheminfo Sheet and I will grade it there]**


 * Research Topic**

Direct sampling ionization specifically focusing on the technique of paper spray mass spectrometry

Jiangjiang Liu, He Wang, Nicholas E. Manicke, Jin-Ming Lin, R. Graham Cooks, and Zheng Ouyang. Development, Characterization, and Application of Paper Spray Ionization. //Analytical Chemistry//. 2010. 82 (6). pp 2463-2471.
 * Assignment #2**

http://pubs.acs.org/doi/abs/10.1021/ac902854g
 * [Full Marks JCB]**


 * Development of portable mass spectrometry devices and fast ionization techniques are becoming more important for qualitative analysis.
 * Paper allows for direct analysis of biological fluids such as blood and urine with separation on the paper.
 * Paper spray ionization allows for a fast and cost effective quantitative analysis on blood samples.
 * Paper spray can have disposable cartridges for sampling and analysis, which can not be done for ESI or nanospray ionization.
 * Six different paper types with varying pore size were sampled with Bovine whole blood and analyzed by MS.
 * Added to the blood was 10 micrograms per milliliter 1 nanogram per milliliter of heroin in 10 microliters of methanol water solution. The heroin sample was confirmed by MS and MS/MS spectra.
 * Another test added cocaine to the papers, in the spectra of cocaine it was noted that peaks from additives in the paper making process are present.
 * The poorest performing paper was glass fiber paper and the best was chromatography paper.
 * The paper is reusable after by adding solution to the paper and reproducible spectra are obtained.
 * The potential of paper spray ionization looks promising with the biofluid analysis and compound identification providing good results.
 * The application of miniature MS for direct analysis gains more support with the success of paper spray and the low cost of operation of such techniques.
 * Further analysis of the method of ionization in the positive and negative ion modes are being studied as well.


 * Assignment #3**

3 Sources for Atmospheric chemical data
1. NATChem database - The Nation Atmospheric Chemistry database archives data from greenhouse gaes, precipitation, particulate matter, as well as other analysis. The database is ran by Environmental Canada. All data is from North American contributors. Data is contributed from many networks, but the network is required to have operated for at least two years with a wide area of coverage with regionally represented sites. []

2. PMEL Atmospheric Data Server - The Pacific Environmental Laboratory (PMEL) data server is a National Ocean and Atmospheric Administration project that compiles data from many field experiments affliated with with both PMEL and NOAA.The database represents field experiments that took place in various parts of the world. This open data is allowed to be referenced in other material as long as the principal investigator (PI) is given create for the data. If the data is used for a significant portion of material it is recommended tha the PI receive co-authorship. []

3. IUPAC Subcommittee for Gas Kinetic Evaluation - The Gas Kinetic Evaluation contains data for kinetic and photochemical reactions of many gases. Many of the reactions cataloged are contained in atmospheric studies. All data contained is evaluated by memeber of the IUPAS subcommittee, much of the data can also be found in Atmospheric Chemistry and Physics (ACP) journal publications. The reactions found in ACP are summarized in tables on the website. Any data that is found to be different than the publications are noted. []