Chemical screening

Experience has shown that reactive chemistry hazards are sometimes undetected during bench scale and pilot plant development of new products and processes. Reactive chemistry hazards must be identified so they can be addressed in the inherent safety review process. Chemists should be encouraged and trained to explore reactive chemistry of "off-normal operations. Simple reactive chemicals screening tools, such as the interactions matrix described in Section 4.2, can be used by R D chemists. 

Results from this preliminary study suggest that a combined approach based on alternative methods could be positively applied to chemical screening in order to reduce the number of animal testing for carcinogenicity studies. 

OECD Guideline for Testing of Chemicals, "Screening Test for Thermal Stability and Stability in Air," No. 113, Organization for Economic Cooperation and Development, Paris, France (1981). 

Kohlbrand, H. T. (April, 1985). "Reactive Chemical Screening for Pilot Plant Safety." Chemical Engineering Progress, 52-56. 

Training on the use of basic hand-held radiation and/or chemical screening instrumentation... 

Seidenberg JM, Becker RA. 1987. A summary of the results of 55 chemicals screened for developmental toxicity in mice. Teratogenesis Carcinog Mutagen 7 17-28. 

Cleveland, L. Little, E.E. Petty, J.D. Johnson, B.T. Lebo, J.A. Orazio, C.E. Dionne. J. Crockett, A. 1997, Toxicological and chemical screening of Antarctica sediments Use of whole sediment toxicity tests, Microtox, Mutatox, and semipermeable membrane devices (SPMDs). Mar. Pollut. Bull 34 194-202. 

Min, D.H., Tang, W.J., Mrksich, M. Chemical screening by mass spectrometry to identify inhibitors of anthrax lethal factor. Nat. Biotcchnol. 2004, 22, 717-723. 

The primary objective was to perform a systematic chemical screening of the positions available for modifications and later, selection of those available positions, the modification of which retains or even enhances or modifies the biological activity. 

A correlation analysis is a powerful tool used widely in various fields of theoretical and experimental chemistry. Generally, such an analysis, based on a statistically representative mass of data, can lead to reliable relationships that allow us to predict or to estimate important characteristics of still unknown molecular systems or systems unstable for direct experimental measurements. First, this statement concerns structural, thermodynamic, kinetic, and spectroscopic properties. For example, despite the very complex nature of chemical screening in NMR, particularly for heavy nuclei, various incremental schemes accurately predict their chemical shifts, thus providing a structural analysis of new molecular systems. Relationships for the prediction of physical or chemical properties of compounds or even their physiological activity are also well known. 

Information of our chemical and siRNA libraries is stored in a PostgreSQL database. We annotate our validated hits using a DatabaseReader and a Joiner node to obtain either chemical structures for chemical screens or GenelD for RNAi screens. KNIME has many tools for cheminformatics, can visualize the molecule structures, and has tools to retrieve data from external public databases via Web queries to further annotate hits, allowing clustering either by chemical substructures or GO terms. 

Dolma S, Lessnick SL, Hahn WC et al (2003) Identification of genotype-selective antitumor agents using synthetic lethal chemical screening in engineered human tumor cells. Cancer Cell 3 285-296... 

Danovi D, Falk A, Humphreys P et al (2010) Imaging-based chemical screens using normal and glioma-derived neural stem cells. Biochem Soc Trans 38 1067-1071... 

Detection of TATP in the field has been problematic. Technologies have been developed that focus on the peroxide group. Of these tests, the most commonly available are field detection kits that rely on color changes brought on by chemical reactions. Mistral s PDK (Peroxide Detection Kit) offers chemical screening... 

In parallel to the biological screening, a search for chemical and physical properties is widely used This so-called chemical screening takes into account that only an unknown fraction of the total metabolite spectrum shows bioactivity in a given test system, but other potential drugs do not respond. 

Chemical and biological screening complement each other very well The sensitivity of biological methods is much higher than that of chemical analyses and can detect even trace amounts, whereas the chemical screening targets new structures even if they are not obviously bio active. 

The hyperthermophilic archaea of the genus Thermococcus, isolated from marine hydrothermal systems, has been found to be a rich source of cyclic methylene-sulfur [135]. The prokaryotic archaea, established as the third domain of life in addition to eukaryotes and bacteria, grow under extreme conditions such as the absence of oxygen, temperatures of 100 °C and saturated salt solutions. Thus, 23 cyclic polysulfides (145-167) could be isolated from the intact cells of Thermococcus tadjuricus (strain Ob9) and T. mococcus acidaminovorans (strain Vc6bk) by using chemical screening methods. 

Strepta/olin (1), a secondary metabolite of Strvptnmyi es virhlochro mo enes, was discovered and first isolated in 1981 by Drautz and ZaJmcr] in the course of chemical screening. Isolation and purifica tion of the antibiotic proved difficult, however, since in concentrated form it tends to polymerize. 

Tsuda M, Yasuda T, Fukushi E, Kawabata J, Sekiguchi M, Fromont J, Kobayashi J (2006) Agesamides A and B, Bromopyrrole Alkaloids from Sponge Agelas Species Application of DOSY for Chemical Screening of New Metabolites. Org Lett 8 4235... 

Obtain and review reactive chemical screening data as a research project progresses. 

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