Aided Synthesis

Mavrovouniotis, M. L., and Stephanopoulos, G. (1990). Computer-aided synthesis of biochemical pathways. Biotechnology and Bioengineering, 36, 1119-1132. 

Vaidyanathan, R., and El-Halwagi, M. M. (1996). Computer-Aided synthesis of polymers and blends with target properties. Ind. Eng. Chem. Res., 35,627-634. 

Foulkes, N. R., Walton, M. J., Andow, P. K., and Galluzzo, M., Computer-aided synthesis of complex pump and valve operations. Compul. Chem. Eng. 12, 1035 (1988). 

We are concerned only with EROS, a unique system for such studies, and this article is in no way an overall review of computer-aided synthesis in general. 

In order to understand the conceptual framework of EROS, it is desirable to consider first the approach to computer-aided synthesis planning which is based on a library of known reactions. 

FUGANTI Microbially Aided Synthesis of Carboi fdrates... 

Also the surface of liposomes can be utilized for facilitating chemical reactions. One example is the liposome-aided synthesis of peptides already mentioned in Chapter 4 (Blocher et al., 2000 2001). In this case, the binding of hydrophobic... 

Siirola, J.J. and Rudd, D.F., "Computer-Aided Synthesis of Chemical Process Designs from Reaction Path Data to the Process Task Network," I EC Fundamentals, Vol. 10, No. 3, pp 353-362, 1971. 

TABLE VI. Some Guest Holecules used to aid Synthesis of ZSM-5 (20)... 

Siirola, J. J. "The Computer-Aided Synthesis of Chemical Proce.ss Designs, Ph.D. Dissertation. University of Wisconsin, Madison (1970),... 

Siirola, J. J., and Rudd, D. F. Computer-Aided Synthesis of Chemical Process Designs, Ind. Eng. Chem. Fundam. 10, 353 (1971). 

OMOLA (Andersson, 1989 Nilsson, 1993) was designed to support the model generation and simulation needs during the computer-aided synthesis and analysis of control systems. It is oriented toward the creation of structured dynamic systems. Its main features can be summarized as follows ... 

This classification limits the combinatorial explosion encountered in conventional computer-aided synthesis approaches, because composite operators know a priori when they apply. For example, the application of bimolecular operators to a list of chemical species results in the selective application of radical-operator to radicals contained in the list and molecule-operator to species that are molecules. 

Mavrovouniotis, M. L.. Stephanopoulos, G., and Stephanopoulos, G., Computer-aided synthesis of biochemical pathways. Biolechnol. Bioeng. 36, 1119-1132 (1990). Mavrovouniotis, M. L., Stephanopoulos, G., and Stephanopoulos, G., Synthesis of biochemical production routes. Comput. Chem. Eng. 16, 605-619 (1992). 

There is another problem that is equally vexing and this relates to drug or pesticide modification. In most cases, the complete structural series and biodata were developed in another laboratory and are unavailable. The only available knowledge may be the structures of the commercial and patented bioactives. No equation is forthcoming unless the entire study is repeated in your own laboratories, a project unlikely to gain approval. How then can one apply computer assisted methods based on QSAR to aid synthesis at any stage in either type of problem ... 

The entry will start with fundamentals, focusing on the rmique properties and the resulting opportunities covered in a generic fashion. Applications in different domains and reactive environments will follow. Some concluding remarks will summarize reactions in supercritical fluids and provide some perspectives for the years to come. Supercritical as well as other reactions can be facilitated through supercritical fiuid aided synthesis and frmctionaliza-tion of catalysts. These are discussed elsewhere in the Encyclopedia. 

HIV reverse transcriptase HIV infection, AIDS Synthesis of a double-stranded DNA from virus RNA for integration into host chromosomal DNA and transcription to viral genomic and messenger RNA Inhibition at allosteric site... 

The available synthetic reactions can be represented as a combination of two half-reactions each. They can be classified according to certain types of half-reactions [4], During efforts to arrive at computer-aided synthesis plan-ning, it was recognized that a rather small number of types of half-reactions suffices to encompass the majority of synthetic methodology. Hendrickson... 

---