Database references from

Structure and Nomenclature Search System. This system links the collection of chemical databases found in the Chemical Information System (CIS), one of the first interactive systems for stmcture and substmcture searching. References from the separate files can be retrieved by SANSS using CAS Registry Numbers, and the database of stmctures may be searched for stmctures or substmctures. An adaptation of the SANSS software for substmcture searching has been incorporated in the Dmg Information System of the National Cancer Institute for its own use (54). 

In order to meet the rising demand for information thousands of databases are available worldwide. Nearly all supply technical literature, economic information, patent references, and manufacturers addresses. Materials databases with numerical values are a relatively small part of these programs. Because the majority of these databases are from individual manufacturers of plastics, there is only limited comprehensive, neutral information on most materials in these software programs. 

The importance of adequate support by database reference material is well illustrated with the following case. After chromatographic separation (TLC, CC), the combination of >H/13C NMR, DI-MS (El), FTIR and HPLC (IJV/VIS, DAD and MS) a flame retardant in a Japanese polypropylene TV cabinet on the European market was identified as tetrabromobisphenol-,S -bis-(2,3-dibromopropyl ether) (TBBP-S) [168]. The result was verified by synthesis of reference material the product was finally identified as Non Nen 52 from Marubishi Oil Chemical Co., Ltd (Osaka), not registered in any spectral database. 

Figure 2.4 Sample entry for human insulin as present in the Swiss-Prot database. Refer to text for further details. Reproduced from the Swiss-Prot database on the Uniprot website htt //www.ebi.uniprot.org/...

The area of ruthenium and osmium coordination chemistry is vast and I am grateful to Professor Edwin Constable for carrying out the initial search of the literature and generating a database of over 12,000 references from which to start the pruning process. 

Thermodynamic data at 298.15 K were mostly taken from Wagman et al.3 High temperature data for the above-mentioned three sulfites were taken from the HSC database referred to in Chapter 1.1. No thermodynamic data for oxides are included, since they were already given in Chapter 2, and sulfates, which may also be decomposition products, are described in Chapter 4. Therefore, when only minimal data are available, they are given in the text rather than in individual tables. 

The UniProt KB is an automatically and manually annotated protein database drawn from translation of DDBJ/EMBL-Bank/GenBank coding sequences and directly sequenced proteins. Each sequence receives a imique, stable identifier allowing unambiguous identification of any protein across datasets. The KB also provides cross-references to external data collections such as the underlying DNA sequence entries in the DDBJ/EMBL-Bank/GenBank nucleotide sequence databases, 2D PAGE and 3D protein structure databases, various protein domain... 

USDA. 2011. USDA National Nutrient Database for Standard Reference, from http // www.nal.usda.gov/fnic/foodcomp/search/. accessed May 2011. 

G. Mallard, NIST Chemical Kinetics Database, available from Standard Reference Data, NIST, 221/A320 (Gaithersburg, Maryland, USA). 

CAplus. 1907-. Columbus, OH Chemical Abstracts Service. Daily. The bibliographic database from Chemical Abstracts. Provides worldwide references from over 9500 scientific journals and patent references from more than 50 patent-issuing authorities. Scope includes all areas of chemistry, biomedical sciences, engineering, and materials science, as well as other scientific disciplines. In addition to journals, conference proceedings, technical reports, books, dissertations, and meeting abstracts are fully indexed. Approximately 3000 new records are added daily. 

Science Citation Index . Philadelphia, PA Institute for Scientific Information (ISI). Weekly. Provides bibliographic information, author abstracts, and cited references from over 3700 leading scholarly and technical journals. The unique feature of this database is the ability to perform cited reference searching. ISI offers an expanded version through their Web of Science, which covers over 5800 journals, with files going back to 1945. Available online. 

Toxic Hazards. Either information on the carcinogenic potency of a chemical (Slope Factor, Weight-of-Evidence Class designation), estimates of non-carcinogenic toxic potential (Reference Dose, Uncertainty and Modifying Factors, and Statement of Confidence), or both, can be reported for several hundred chemicals. Values for both inhalation and oral exposure are available. If the desired toxicity value for a chemical has not yet been included in IRIS, an alternative database extracted from the Health Effects Assessment Summary Tables (HEAST) is automatically searched. 

FIGURE 5 View of the a-carbon backbone of calmodulin (blue) bound to calmodulin binding domain peptide (red) of smooth muscle MLCK. This view is derived from the crystal structure (Meador et al, 1992) as deposited in the Brookhaven Protein Database (reference number ICDL). The peptide includes hydrophobic residues (yellow), Trp and Leu, at its N and C termini, respectively. 

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. 

Additionally, under the Europa Environmental Directive 96/82/EC called Saveso II Directive" on the control of major accident hazard involving dangerous substances, information on dangerous substances is inventoried. Of the several interesting literature databases, a process chemist would find the literature references from www.rxeforum.com very useful for the kinetic models and calorimetric data for product development and validation very useful while considering the thermal stability of the reactions. The article The Identification of Decomposition Products in as Industrial Nitration Process under Thermal Runaway Conditions " would have been very useful in developing the direct nitration process. 

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