Isocombretastatins are the not isomerizable 1,1-diarylethene isomers of combretastatins. Both families antimitotics poorly soluble and new analogs with improved water solubility needed. The ubiquitous 3,4,5-trimethoxyphenyl ring most its replacements contribute to problem. 39 compounds belonging two series isocombretastatin 2-chloro-6-methylsulfanyl-4-pyridinyl or 2,6-bis(methylsulfanyl)-4-pyri...

OLIGONUCLEOTIDE STUDIES, PART II. OPTICAL ROTATORY DISPERSION OF TWO PAIRS OF SEQUENCE ISOMERS OF TRINUCLEOTIDES 1) Y. Inoue, S. Aoyagi and K. Nakanishi Department of Chemistry, Tohoku University, Sendai, Japan. (Received in Japan 13 June 1967) Optical rotatory dispersion (ORD) is understood as the most powerful physical method in the characterization of the conformational structures of oligoan...

Consequences of ionization were studied by quantum-chemical methods (DFT and PCM) for 1-methylcytosine (MC)-a model of the nucleobase cytosine (C) connected with sugar in DNA. For calculations, three prototropic tautomers (one amino and two imino forms) and two imino zwitterions were considered, including conformational or configurational isomerism of exo heterogroups. Ionization and interactio...

The (R)- and (S)-2-butylamides of d-lysergic acid were prepared and evaluated in behavioral and biochemical assays of 5-HT2 agonist activity. In rats trained to discriminate 0.08 mg/kg LSD tartrate from saline, both isomers completely substituted for the training stimulus. Similarly, both isomers were found to possess very high affinity in displacing [125I]-(R)-DOI ([125I]-(R)-1-(2,5-dimethoxy-...

The potential energy surfaces of the ground and valence excited states of both 3H-diazirine and diazomethane have been studied computationally by mean of the CASSCF method in conjunction with the cc-pVTZ basis set. The energies of the critical points found on such surfaces have been recomputed at the CASPT2/cc-pVTZ level. Additionally, ab initio direct dynamic trajectory calculations have been ...

molecular structure, isomerism, conformational stability and intramolecular hydrogen bonding (ihb) of cis-enol forms of 1-(n-pyridyl)butane-1,3-diones (npbd) (n = 2, 3, or 4) have been investigated by means of density functional theory (dft) calculations. energy differences for all possible npbd cis-enol forms of isomers with respect to the most stable form of the corresponding isomer have been...

In the present study, theoretical chemical reactivates Photo isomerization in Cis-Retinal as a Natural Photo switch in Vision. DFT hybrid functional, B3LYP and, post-HF method, were the theoretical methods applied utilizing G09 software. 6-31G+ (d,p) basis set employed for structural optimizations, and single point computations performed using B3LYP/6-31G+(d,p). The isomers cis molecule retinal...

The enzymatic potential of the cultured plant cells can be employed for bioconversion purposes. Plant enzymes are able to catalyze regio- and stereo-specific reactions, and therefore can be applied for the production of desired substances. The biotransformation of foreign substrates with suspension cells of Peganum harmala was tested with (±) phenylethyl propionate. The callus cultures of Pegan...

the conformational behavior of monosubstituted tri-methylsilyle ethynyl derivative of cal ix[4]arene as a newgeneration of caliarene was compared with tetra alkylated calyx[4]arene. the most important conformationalphenomena in these compounds which are pinched cone interconversion process were done by semi-empiricalmethod and ab initio calculations with gaussian 98w programming.