Royal Society of Chemistry databases

Databases. Sites such as Bath Information and Data Services (BIDS) and web of Science (WOS) provide access to abstracts of recent publications use these to find relevant literature for specific topics. Access is via the websites at http //www.bids.ac.uk/ or http //www.webofscience.com you will need a username and password - check with your department or library. In the case of BIDS, it provides access to databases covering subjects from science, engineering and medicine to economics, politics, education and the arts. Specific databases offered include ISI citation indexes EMBASE (international biomedical information) INSPEC (physics, electronic engineering and computing) international bibliography of the social sciences (IBSS) The Royal Society of Chemistry databases and education databases. See also Table 46.2. 

This database provides scientific and technical information on the environment. The information is compiled from a set of Royal Society of Chemistry databases. Environmental Chemistry, Health Safety contains information on chemicals deemed to cause actual or potential problems to humans or the environment. The subject coverage is broad and includes such varied topics as animal and microbiological hazards, biological effects of chemicals and radiation, corporate environmental issues, legislation and standards, transportation and storage of chemicals, waste management. Environmental Chemistry, Health Safety can be used to document risk assessment, to assess potential environmental, health, and safety problems, and to study a company s environmental and safety experiences. 

An exhaustive study has been carried out based on the abstracts given by Analytical Abstracts (Royal Society of Chemistry) database January 1980-June 2006. A great many keywords covering all types of cosmetic products has been used to carry out the search. It is necessary to indicate that the total number of articles recovered in this search was nearly 1500 and consequently only the information given in the abstracts was processed. 

The compiled data for non-official methods have been obtained from the analytical literature published between January 1980 and June 2006. The Analytical Abstracts (Royal Society of Chemistry) database has been used. 

Figure 5-5. Deviation of semi-empirical interaction energies from S22 and JSCH-2005 database values (kcal mol-1) [1], Reference [43] reproduced by permission of the Royal Society of Chemistry...

This Accelrys provided database is based on the journals of the Royal Society of Chemistry (RSC) (308). It primarily contains information on the metabolic fate of chemicals (including pharmaceuticals, agrochemicals, food additives, and environmental and industrial chemicals) in vertebrates, invertebrates, and plants. New entries can be added, and the database may be searched graphically. This database can be combined with various computational tools from Accelrys for target-specific analysis and modeling. Metabolic pathways are organized alphanumerically, and future releases are scheduled to include a comprehensive survey of the metabolism literature (308,309). 

The comparison can be made manually on the basis of collections of tables (for example, A. Cornu R. Massot Compilation of Mass Spectral Data) or may be effected with computer assistance large databases can be used (e.g. Mass Spectral Data Base, Royal Society of Chemistry, Cambridge). 

Bukingham J, Thompson S (1997) Dictionary of natural products and other information somces for natmal products scientists. In Phytochemical diversity - a somce of new industrial products. Royal Society of Chemistry, London, pp 53-67 (2001) Dictionary of Natmal Products on CD-ROM, Chapman and HaU/CRC Press Laatsch H (1994 and annual updates) AntiBase, A database for rapid structmal determination of microbial natmal products. Chemical Concepts, Weinheim, Germany Breheret S, Talou T, Rapior S, Bessiere JM (1997) J Agric Food Chem 45 831 Schulz S (2001) private commimication, Braunschweig, Germany Burkholder PR, Pfister RM, Leitz FH (1966) Appl Microbiol 14 649 Reid RT, Live DH, Faulkner DJ, Butler A (1993) Nature 366 455... 

P. M. Coutinho, B. Henrissat, in Recent Advances in Carbohydrate Bioengineering (Eds. H.). H.). Gilbert, G. Davies, B. Henrissat, B. Svensson), The Royal Society of Chemistry, Cambridge, 1999, p. 3 P. M. Coutinho, B. Henrissat, Carbohydrate Active Enzymes database http //afmb.cnrs-mrs.ff/CAZY/ 1999. 

A3BNB (Chemical Business NewsBase) is a bibliographic database covering news on the chemical industry worldwide. It is produced by the Royal Society of Chemistry and covers 1984 to date. 

CJRSC (Current Journals of the Royal Society of Chemistry) was a database of full-text articles published in 15 journals published by the U.K. society during the period from 1987 through 1993. It is no longer available via STN. 

Several databases of published biotransformations are commercially available, such as Molecular Design Ltd s Metabolite and the Accelerys Metabolism Database (formerly produced by Synopsis). The former is quite extensive, and contains in vivo and in vitro biotransformation summaries from the literature, while the latter has as its core information based on the U.K. Royal Society of Chemistry s Biotransformations series (Hawkins, 1988-1996) supplemented by additional data from the literature. Both systems are searchable by reaction type. The intelligent use of such databases provides much valuable information on likely metabolic profile. 

C. N. Hegarty, An Introduction to the Management of Laboratory Data A Tutorial Approach Using Borland s Paradox Relational Database, Royal Society of Chemistry, Cambridge, UK, 1992. 

ChemSpider was launched in 2007. It is an open-access service in which constituent databases, the largest of which is Web of Science, are linked on a free-access basis, and which uses algorithms to identify and extract chemical names from documents and web pages and convert them to structures and InChl and SMILES identifiers. Access to the core service is free, but the user may be routed to charging component databases. At launch, ChemSpider contained 21 million compounds. At the time of writing, it was too early to assess the success of the service. It was bought by the Royal Society of Chemistry in 2009. 

For discussions of relative stereochemistry, see the documentation forvarious chemical database systems. For example, MDL stereo-chemistry is described online at http //www. mdli.com/downloads/literature/ctfile.pdf, and Daylight conventions are described at http // WWW. daylight, co m/r el ease/f manuals.html. CAS stereochemical conventions have been described in L. M. Staggenborg in H. Coder, Ed, Recent Advances in Chemical Information, Royal Society of Chemistry, Cambridge, UK, 1998,pp. 89-112. 

The BIDS RSC service provides access to four bibliographic databases and a further two databases (Chemical Safety Data Sheets and the UK Nutrient Databank via the WWW at http //www.bids.ac.uk/websearch.html) are supported by The Royal Society of Chemistry (URL http //www.bids.ac.uk/ Tfedocs/rsc.html). The databases are ... 

The Royal Society of Chemistry Bibliographic Databases and Reference Databanks... 

In addition to the BIDS RSC service. The Royal Society of Chemistry (http // www.rsc.org/is/database/sec serv.htm) also offers a range of bibliographic databases and reference databanks. These are (excluding the ones available via the BIDS RSC service) described below. 

Text extracts from the following databases Analytical Abstracts, Chemical Business NewsBase, Chemical Safety NewsBase, Mass Spectrometry Bulletin, Chemical Safety Data Sheets and Chromatography Abstracts in Chapter 36, Internet resources for chemistry , reproduced by kind permission of The Royal Society of Chemistry. 

With the advent of accurate mass instruments, access to a reference database or library of compounds with the exact masses of precursor and product ions is becoming increasingly important. Many instrument manufacturers, as well as independent companies or institutions, are developing software that allows chemists to manage this type of information for specific applications such as proteomics or chemical contaminants. Examples of online resources that may be useful for searching for unknown residues based on molecular formulas obtained from accurate mass data inciude Metlin from the Scripps Center for Mass Spectrometry and ChemSpider from the Royal Society of Chemistry. " ... 

A. N. Davies, P. S. McIntyre, Spectroscopic Databases, in Computing Applications in Molecular Spectroscopy, eds.W.O. George and D. Steele, 1995, The Royal Society of Chemistry, Cambridge 1995, pp. 41-59. 

For example, using the database prepared by the Chemistry Department at the University of Akron http //ull.chemistry.uakron. edu/erd/) which is considered to an academic work, the flash point of perchloroethylene is reported as 113°F. In addition the Royal Society of Chemistry s data portal Chemspider (http /AA/ww. chemspider.com/Chemical-Structure.29106.html) reports a value of 83.4°F. However, various internet sources, such as Wikipedia http //en.wikipedia.org/wiki/Fetrachloroethylene), the Center for Disease Control s Pocket Guide to Chemical Hazards (http //www. cdc.gov/niosh/npg/npgd0599.html), and most MSDSs report that the flash point value is "NA" which is presumed to mean "none."... 

ChemSpider (Figure 21.30) was developed by the Royal Society of Chemistry (RSC). It is a free chemical structures database that provides rapid test and structure search access to over 30 million structures from hundreds of data sources. 

Authors wishing to submit syntheses for possible publication should write their manuscripts in a style that conforms with that of previous volumes of Inorganic Syntheses (a style guide is available from the Board Secretary). The manuscript should be in English and submitted as an editable electronic document. Nomenclature should be consistent and should follow the recommendations presented in Nomenclature of Inorganic Chemistry, lUPAC Recommendations 2005, published for the International Union of Pure and Applied Chemistry by The Royal Society of Chemistry, Cambridge, 2005. This document is available online (as of 2012) at http //www.iupac.org/fileadmin/user upload/databases/Red Book 2005.pdf. Abbreviations should conform to those used in publications of the American Chemical Society, particularly Inorganic Chemistry. 

Literature Database 420000 abstracts Online, CD-ROM Deutsche Gesellschaft fiir Chemisches Apparatewesen, Chemische Technik und Biotechnologie e.V. The Royal Society of Chemistry monthly... 

In full-text databases the complete articles can be retrieved. They contain the complete text of a documentation unit. In most cases this text is completed with additional data-fields, e.g., descriptor, thesauri, classification code fields. An example of a full-text database is the CJRSC (Chemical Journals of the Royal Society of Chemistry) which is offered by STN. The document, shown in Search Example 2 on the topic of waste removal, is abbreviated. Apart from bibliographic information (author [AU], title [TI], source [SO], abstract [AB]) the full article with tables and figures can be retrieved. The information found is very comprehensive but also expensive in comparison to bibliographic databases (see Chemical Abstracts Service Information System and Inorganic Chemistry Databases). 

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