AM1 treatment of phenolsulfonephthalein

Date

2000-01-01

Author

Türker, Burhan Lemi

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Different forms of phenolsulfonephthalein (phenol red) were subjected to semiempirical molecular orbital treatment at the level of AM1-RHF type calculations. All the forms considered were found to be stable and exogenic. However. most of the molecular orbital characteristics of these structures are highly different from each other.

Subject Keywords

Phenol red, Estrogenic activity, Bromphenol blue, Liver surface, Model-drugs, Absorption, Culture, Cells, Rats

URI

https://hdl.handle.net/11511/62290

Journal

ACH-MODELS IN CHEMISTRY

Collections

Department of Chemistry, Article

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AM1 treatment of phenylboronic acid esters of glycerol Türker, Burhan Lemi (Elsevier BV, 2004-05-14) Phenylboronic acid esters of glycerol, which involve 1,2- and 1,3-sites of glycerol for esterification followed by complex formation with the remaining -OH group of glycerol have been considered for AM1(RHF) type semiempirical quantum chemical calculations, in vacuum as well as in aqueous medium. All the species were found to be stable and exothermic. The stability order among the various species considered was established. 1,2-type ester in vacuum or aqueous medium was found to be more stable than the resp...
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Citation Formats

B. L. Türker, “AM1 treatment of phenolsulfonephthalein,” ACH-MODELS IN CHEMISTRY, pp. 643–652, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62290.