AM1 treatment of certain thyroid hormones

Date

2002-07-26

Author

Türker, Burhan Lemi

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Some thyroid hormones, T-4, T-3 and reverse T-3 are considered for Austin model 1 restricted Hartree-Fock type semi-empirical molecular orbital calculations. The zwitterionic form in every case was found to be less stable and less exothermic as compared to the nonionic form of them.

Subject Keywords

Thyroid hormones, Thyroxine, T-4, T-3, rT(3)

URI

https://hdl.handle.net/11511/62283

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(02)00148-3

Collections

Department of Chemistry, Article

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AM1 treatment of monogermacyclacenes Türker, Burhan Lemi (1998-03-01) Semi-empirical molecular orbital treatment of monogermacyclacenes of two different types has been performed at the level of AM1 type calculations. The effect of germanium substitution is found to be moderately destabilizing but it becomes less pronounced in larger systems. The heats of Formation values of these classes of structures are endothermic and exhibit cryptoannulenic effect. Also some physicochemical properties of monogermacyclacenes have been estimated.
AM1 treatment of monosilacyclacenes Türker, Burhan Lemi (Informa UK Limited, 1997-01-01) Semi-empirical molecular orbital calculations at the level of AM1 type have been performed on Huckel type monosilacyclacenes having arenoid rings (R) of 2-7. Silicon atom at the peri and fusion points of arenoid rings were separately considered for each case of R.
AM1 treatment of phenolsulfonephthalein Türker, Burhan Lemi (2000-01-01) 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.
AM1 treatment of silacyclacenes Türker, Burhan Lemi (Informa UK Limited, 1997-01-01) Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on Huckel type silacyclacenes having arenoid rings (R) of 2-9. The first and second type cryptoannulenic effects are defined.
AM1 treatment of Huckel type cyclacenes Türker, Burhan Lemi (1997-05-30) Semiempirical molecular orbital calculations at the level of AM1 type were carried out on Huckel type cyclacenes having arenoid rings (R) of 2-10. It has been found that the cryptoannulenic effect highly influences the molecular orbital characteristics of these systems. (C) 1997 Elsevier Science B.V.

Citation Formats

B. L. Türker, “AM1 treatment of certain thyroid hormones,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 113–120, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62283.