By Stephen C. DeVito, Roger L. Garrett
Covers the layout or redecorate of chemical substances with the explicit rationale of constructing them secure for individuals and the surroundings. Explains how commercially invaluable elements of low toxicity should be designed and built via cautious forethought and strategic molecular amendment. Describes how latest commercial chemical compounds which are poisonous might be redesigned to be much less poisonous yet continue their usefulness. Discusses tips on how to merge the disciplines of toxicology and chemistry to layout new, much less poisonous advertisement chemical compounds or redecorate present poisonous advertisement chemical substances to lead to much less poisonous substitutes. presents researchers, builders, and brands of commercial chemical compounds with a reference resource for designing more secure chemical compounds.
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Additional resources for Designing Safer Chemicals: Green Chemistry for Pollution Prevention (ACS Symposium Series)
The chemist who is able to recognize toxicophoric or toxicogenic substituents, or obtain information pertaining to a toxic mechanism is in a much better position to design safer chemicals. From such knowledge one can often infer structural modifications needed to render a new substance much less toxic than the unmodified toxic substance. Structural changes intended to lessen toxicity should, of course, not interfere with the commercial usefulness of the substance. This section discusses a few well-known mechanisms of toxicity of commercial chemical substances and, using specific examples, demonstrates how knowledge of these mechanisms can be used by the chemist for the design of safer substances.
It is often possible to quantify structure-activity relationship data by correlating into a regression equation the biological property with one or more physicochemical properties of a set of analogous substances. In quantitative structure-activity relationships (QSARs) chemical structure is transformed into quantitative numerical values that describe physicochemical properties relevant to a given biological activity. Quantification of structure-activity relationships for a given series of substances depends, therefore, on the successful identification of one or more physicochemical properties correlating with the biological property.
All of them are aromatic, all are liquid, and all are about equal in molecular size and volume. In fact, both 12 and 41 boil at about 81 °C. ch002 12 41 42 Substances that are isosteric equivalents of substances that are toxic or pharmacologically active may also possess these biological properties. It is also possible that biological properties may be bestowed, exacerbated or attenuated when isosteric modifications are made. This point is illustrated by the following examples. 7-Methyl-benzo[a]anthracene (43), is a known carcinogen, while 7-methyl-lfluorobenzo[a]anthracene (44) is not (1).