in the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of nh-acid, such as 5-aminoindazole 3 were investigated theoretically. quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. the first step of ...

Introduction: 5-HT1A receptor is related with a variety of neuropsychiatric disorders. . In this study a phenolic analogue derived from DWAY [Desmethyl WAY-100635 (N-(2-(1-(4-(2-methoxyphenyl)piperazinyl)-ethyl))-N-(2-pyridinyl) cyclohexanecarboxamide)] is used to design the desired structure of 5-HT1A receptor imaging agents after labeling with [99mTc (CO) 3(H2O) 3] + cor...

The mechanism of the low temperature oxidation of gaseous acetaldehyde was investigated in the temperature range of 1 50-400?°C. The minor, intermediate and major products were identified and measured quantitatively by sampling directly into the ionization chamber of an MS10-C2 mass spectrometer from the reactor. The formation of H2O, CO, CO2, HCOOH, H2, HCHO, CH3COOH and CH3OH as the major pro...

Abstract: The reaction mechanism between propadienylidene and methyleneimine was systematically investigated employing the second-order Møller–Plesset perturbation theory (MP2) method with the 6 – 31 + G* basis set. Geometry optimization, vibrational analysis, and energy property of the involved stationary points on the potential energy surface were calculated. The energies of the different spe...

The title compound tetraphenylborate salt of clonidine (Catapres®), 2-(2,6-dichlorophenylamino)-2-imidazoline (3), was prepared in 76 % yield by the reaction hydrochloride (clonidine hydrochloride) (1) with sodium (2) deionized water through anion exchange at ambient temperature. structure borate characterized UV, thermal analysis, mass and NMR analyses. White crystals (3) suitable for an X-ray...

The reaction of H2O2 with thioanisole and p-methoxythioanisole catalysed by lignin peroxidase from Phanerochaete chrysosporium has been studied spectrophotometrically under turnover and single turnover conditions with a stopped-flow apparatus. Pre-formed lignin peroxidase compounds I and II are each able to react with the sulphides to form a sulphide radical cation. The radical cation is then c...