Analytical chemistry database

An up-to-date bibliographic search from 1980 to July 2006 using analytical chemistry databases revealed more than 30 publications focusing on hair-dye determination in hair-dye products. Table 4.3.6 gives a chronological summary of the experimental details of published papers on hair-dye determination. Those papers that do not deal with cosmetic samples are not included. It should be emphasized that the non-English publications have been reviewed on the basis of their respective abstracts, and thus, several data could be incomplete as shown by some blank cells in the aforanentioned table. 

On the other hand, most papers on preservative analyses can be found in the analytical chemistry databases, most of which are focused on food products, given the major implications of these products have on health. However, a relatively high number of articles have reported the analysis of preservatives in cosmetic products for external use. For easy consultation. Table 5.1.2 summarizes the methods reported in literature chronologically for each paper it shows the preservative studied, the cosmetic matrix, the employed analytical technique, a brief description of sample pretreatment and, when present, the results of the analysis in terms of limit of detection (LOD) and limit of quantification (LOQ). 

Analytical Chemistry Databases Gas Chromatography Ion Kinetics and Energetics Liquid Chromatography Mass Spectrometry in Forensic Science... 

Junghans, M. and Pretsch, E. (1997) Estimation of partition coefficients of organic compounds local database modeling with uniform-length structure descriptors. Fresenius Journal of Analytical Chemistry, 359, 88-92. 

Electronic Tools Green Chemistry Alternative Selection Protocol NEMI Analytical Method Database Green Chemistry Institute Kathryn Parent... 

CJAOAC was a database of full-text articles published in the Journal of AO AC International on analytical chemistry during the period from 1987 through 1993. It is no longer available via STN. 

Wilkins MR, Williams KL, Appel RD, Hochstrasser DF (1997) Proteome research new frontiers in functional genomics. Springer Verlag, Berlin Heidelberg Yates JR, Speicher S, Griffin PR, Hunkapiller T (1993) Peptide mass maps A highly informative approach to protein identification. Anal Biochem 214 397—408 Yates JR, Eng JK, McCormack AL, Schieltz D (1995) Method to correlate tandem mass spectra of modified peptides to amino acid sequences in the protein database. Analytical Chemistry 67 1426-1436. 

Refs. [i] Sillen LG, Martell AE (1964) Stability constants of metalion complexes, 2ni edn. Hie Chemical Society, London [ii] Sillen LG, Martell AE (1971) Stability constants of metal-ion complexes, supplement no. 1. 7he Chemical Society, London [Hi] Kotrly S, Sticha L (1985) Handbook of chemical equilibria in analytical chemistry. Ellis Horwood, Chichester [iv] 7he IUPAC stability constants database http //www.iupac.org/dhtml home.html [v]GalusZ(1994)Fundamentals of electrochemical analysis, 2ni edn. Ellis Horwood, New York, Polish Scientific Publ PWN, Warsaw... 

Applying Database Management in the Analytical Chemistry Laboratory... 

Otto s book on chemometrics [4] is a welcome recent text, that covers quite a range of topics but at a fairly introductory level. The book looks at computing in general in analytical chemistry including databases, and instrumental data acquisition. It does not deal with the multivariate or experimental design aspects in a great deal of detail but is a very clearly written introduction for the analytical chemist, by an outstanding educator. 

NIST Resources. The National Institute of Standards and Technology has a Standard Reference Data Program that maintains electronic databases on Analytical chemistry, Atomic and molecular physics, Biotechnology, Chemical and crystal structure. Fluids, Materials properties. Surface data, and Thermochemical data. Some of these databases are available at moderate cost as PC products (diskettes, CD-ROMs, or Internet downloads) and some are free online systems. Further information is available on the website www. nist.gOv/srd/ begin.htm. 

Actually, chemoinformatics is not only related to drug design, but embraces under a unique umbrella all the classical chemical disciplines such as organic chemistry, analytical chemistry, physical chemistry, theoretical chemistry, medicinal chemistry, environmental chemistry, chemometrics, and so on, and more recent fields such as web-chemistry, chemical database managements, and library searching. 

The Analytical Forum on ChemWeb (http //analytical. chemweb.com/search/search.exe) gives access to probably one of the most interesting sites of analytical chemistry on the web. Extensive search options in the Analytical Abstracts Database (AA) , as well as in a literature database (collection of analytical journals) are provided after registration (free). Articles of AA can be purchased online references from the literature database generally also available as abstracts without cost. 

Chemical databases serve different purposes, such as the search for scientific and patent-related literature or retrieval of facts about chemical compounds. In analytical chemistry, the databases that are of interest are those that contain either original measurements (spectra and chromatograms) or derived data, such as concentrations or chemical structures. These data can be retrieved online via network from a host, for example, STN International. On the other hand, databases can be stored at individual PCs or in connection with an analytical instrument. 

Mann, M. and Wihn, M., Error-tolerant identification of peptides in sequence databases by peptide sequence ta.gs. Analytical Chemistry, 66, 4390-4399, 1994. 

Keller, A., Nesvizhskii, A.I., Kolker, E., Aebersold, R. (2002) Empirical statistical model to estimate the accuracy of peptide identifications made by MS/MS and database search. Analytical Chemistry, 74,5383-5392. 

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