UV Studies of Nucleic Acid Base Complexation with Isoproterenol in Different Solvents

Taha, Hassan M.; Al‐Obeidi, Fahad; Borazan, Hanna N.

doi:10.1002/jps.2600680532

Cited by 5 publications

(2 citation statements)

References 21 publications

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“…Charge transfer complex formation between nucleic acid bases and isoproterenol was confirmed using UV absorption measurement by Taha et al [5]. Tautomeric structures of uracil and its effect on the electrochemical corrosion behavior of mild steel in acidic medium were studied using CNDO calculations by Makhlouf et al [6].…”

Section: Introductionmentioning

confidence: 99%

DFT Cancer Energy Barrier and Spectral Studies of Aspirin, Paracetamol and Some Analogues

El‐Shahawy¹

2014

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Comparative DFT computations were studied between Paracetamol (PA) and its analogues such as p-nitroacetanilide (PA-NO 2 ), p-bromoacetanilide (PA-Br) and N-acetylanthranilic acid (NAA) which can be considered also as analogue of Aspirin (ASP). As well, Thio-Aspirin, Acetyl-Thio-Salicylic acid, (TASP) is another analogue of ASP. From DFT studies, it has been concluded that PA and its analogues have the predominant trans-conformers with respect to directions of the carbonyl group in the acetyl moiety and the amino-hydrogen atom but the predominant conformer of NAA molecule is the cis-form. Phenacetin (PH) molecule which has ethoxy group in the Para-position instead of the hydroxyl group in the Para-position in PA molecule is another analogue of PA. The electron transfer energy between the drugs and the nucleic acid bases can be illustrated as cancer energy barrier. The cancer energy barriers were calculated from the DFT parameters for all the studied molecules showing the carcinogenic effect. The metabolized product N-acetylimidoquinone, m-PA, is produced in the liver from PA and PH. m-PA has higher electron affinity more than those of the nucleic acid bases indicating to the strong electronic withdrawing power from the nucleus in the human being liver cell, hence m-PA is responsible for the carcinogenic behavior of the liver cell since it has low energy barrier with guanine, 0.3 eV. Therefore the electron transfer between m-PA and guanine takes place spontaneously in the liver. From CI calculations it has been concluded that the singlet transition energies for the trans and cis conformers of PA are the same. The comparative spectral studies have been scanned for some analogues in the visible and UV regions using solvents of different polarities. The complex between PA and Zn 2+ was studied by DFT method.

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Section: Introductionmentioning

confidence: 99%

DFT Cancer Energy Barrier and Spectral Studies of Aspirin, Paracetamol and Some Analogues

El‐Shahawy¹

2014

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“…The charge transfer ability values have been calculated for various pyridines and pyrimidines by CNDO/2 [1]. Charge transfer complex formation between nucleic acid bases and isoproternol has been demonstrated from UV absorption measurements [2]. UV absorption studies on weak interactions of adenine, cytosine, thymine and uracil with catechol in aqueous solutions containing 0.1 N HCl has given evidence for the formation of charge transfer complexes [3].…”

Section: Introductionmentioning

confidence: 99%

<b>CNDO/SCF molecular orbital structural studies and charge transfer complex formation between 4,4’-dimethoxydiquinone and uracil</b>

El‐Shahawy

Hammam

2004

Bull. Chem. Soc. Eth.

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Through CNDO/SCF molecular orbital calculations, the structure of 4,4'-dimethoxydiquinone (DQ) has been discussed and compared with some related compounds. The electron transfer between DQ and uracil was studied in ethanol as an interaction medium. The ionization potentials and the electron affinities of the studied molecules have been calculated in addition to their charge densities giving the columbic potential energy of the donor and acceptor. The experimental charge transfer band lies at 500 nm. The electronic transitions have been calculated for the singlet and triplet transitions in uracil and DQ molecules using the SCF eigenvectors of the two HOMO's, ψ n-1 and ψ n , and the two LUMO's, ψ n+1 and ψ n+2 , using CI theory. The calculated electronic transitions are compared with those of the experimental data to verify the non-planar structure of the DQ molecule.

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Indole-catechol charge transfer complexes I

Borazan

Ajeena

1980

Journal of Pharmaceutical Sciences

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UV Studies of Nucleic Acid Base Complexation with Isoproterenol in Different Solvents

Cited by 5 publications

References 21 publications

DFT Cancer Energy Barrier and Spectral Studies of Aspirin, Paracetamol and Some Analogues

DFT Cancer Energy Barrier and Spectral Studies of Aspirin, Paracetamol and Some Analogues

<b>CNDO/SCF molecular orbital structural studies and charge transfer complex formation between 4,4’-dimethoxydiquinone and uracil</b>

Indole-catechol charge transfer complexes I

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