Density functional theory (DFT) calculations were performed to investigate the effects of a carbon nanotube (CNT) on the properties of the fluorouracil (F-Uracil) anticancer drug. To achieve the purpose, a molecular model including both of F-Uracil and CNT molecules was created to represent the CNT@F-Uracil compound. The optimized parameters indicated that the new compound could show new proper...

In this paper,the molecular geometry for three tautomers of uracil and four tautomers of cytosine has been analyzed. vibrational IR spectra of the tautomers were   investigated at HF and B3LYP level using the AB initio 6-31G* and LANL2DZ basis sets from the program package Gaussian 98 (A.7 Public Domain version). The physico-chemical and biochemical properties of uracil and cytosine are one of...

in this paper,the molecular geometry for three tautomers of uracil and four tautomers of cytosine has been analyzed. vibrational ir spectra of the tautomers were   investigated at hf and b3lyp level using the ab initio 6-31g* and lanl2dz basis sets from the program package gaussian 98 (a.7 public domain version). the physico-chemical and biochemical properties of uracil and cytosine are one of...

density functional theory (dft) calculations were performed to investigate the effects of a carbon nanotube (cnt) on the properties of the fluorouracil (f-uracil) anticancer drug. to achieve the purpose, a molecular model including both of f-uracil and cnt molecules was created to represent the cnt@f-uracil compound. the optimized parameters indicated that the new compound could show new proper...

Density functional theory (DFT) calculations were performed to investigate the effects of a carbon nanotube (CNT) on the properties of the fluorouracil (F-Uracil) anticancer drug. To achieve the purpose, a molecular model including both of F-Uracil and CNT molecules was created to represent the CNT@F-Uracil compound. The optimized parameters indicated that the new compound could show new proper...

background: saccharomyces boulardii (s. boulardii) is the best known probiotic yeast. the genetic engineering of this probiotic strain requires the availability of appropriate mutants to accept various gene constructs carrying different selection markers. as the auxotrophy selection markers are under focus, we have generated a ura3 auxotroph mutant of s. boulardii for use in further genetic man...

Annulated pyrano[2,3-d]pyrimidine/pyrano[2,3-d]uracil derivatives were synthesized using aromatic aldehydes, active methylene compounds and barbituric acid in presence of dibutylamine (DBA) catalyst in ethanol as solvent. The different substituents on phenyl ring in the fused pyrano uracil skeleton showed productive influence on its antimicrobial activity against some gram positive and gram neg...

The association of uracil dimers and copper(II) has been studied through the use of B3LYP/6-311+G(3df,2p)//6-31+G(d,p) calculations. Although uracil-Cu(2+) complexes have never been experimentally detected, our results show that [(uracil)2-Cu](2+) is thermodynamically stable with regard to both the proton loss and the fragmentation into (uracil)2(+)˙ + Cu(+), although it is metastable with resp...

The syntheses of the title compounds are described. 1- [[2- Amino -1 - (hydroxymethyl) ethoxy] methyl] uracil exhibitslittleactivity against herpesviruses (HSV) in vivo

Archaeal family-B DNA polymerases possess a novel uracil-sensing mechanism. A specialized pocket scans the template, ahead of the replication fork, for the presence of uracil; on encountering this base, DNA synthesis is stalled. The structural basis for uracil recognition by polymerases is described and compared with other uracil-recognizing enzymes (uridine-triphosphate pyrophophatases and ura...