A new chloroform adduct of the N-heterocyclic carbene (NHC) 1,3-bis(2,6diisopropylphenyl)imidazolidin-2-ylidene (SIPr) has been prepared via C–H bond activation of the chloroform at the carbene carbon. This redox product was crystallized and was characterized by 1H and 13C-NMR spectroscopy, elemental analysis (EA), and single-crystal X-ray diffraction. The 1H and 13C-NMR spectroscopic data are ...

The potential energy surface for the transformation of 8-hydroxy guanine radical to formamidopyrimidine adducts via four pathways has been mapped out using B3LYP density functional theory and the IEF-polarizable continuum model (PCM) solvation model. Results of the calculations are consistent with experimental studies indicating that numerous compounds may be formed during the oxidation and sub...

Limits of detection (LODs) in ion mobility spectrometry (IMS) strictly depend on ionization of the analyte. Especially challenging is ionization of compounds with relatively low proton affinity (PA) such as aromatic compounds. To change the course of ion-molecule reactions and enhance the performance of the IMS spectrometer, substances called dopants are introduced into the carrier gas. In this...

Explosives detection is a necessary and wide spread field of research. From large shipping containers to airline luggage, numerous items are tested for explosives every day. In the area of trace explosives detection, ion mobility spectrometry (IMS) is the technique employed most often because it is a quick, simple, and accurate way to test many items in a short amount of time. Detection by IMS ...

Abstract: A facile, 1,3-dipolar cycloaddition of ethyl diazoacetate (EDA) with various activated olefins including Baylis-Hillman adducts, activated and simple alkynes to afford 3,5-disubstituted pyrazolines and pyrazoles respectively in moderate to good yields, in high regioselective manner in the presence of Indium chloride and/or DABCO is reported. All the reactions were carried out under no...

In this work, we present molecular modeling studies carried out using six DNA sequences and six azinomycin analogues, including the naturally occurring compound azinomycin B, selected on the basis of known cell cytotoxicity and structural analogies (epoxide and aziridine alkylating moieties). Among several computational methods the Stochastic Dynamics with Energy Minimization (SDEM) approach yi...

primary mgcl2.3.3etoh adduct (pct1) was prepared by melt quenching method and then submitted into a programmed thermal dealcoholation project using a fluidized bed reactor. during thermal dealcoholation program, different mgcl2.netoh support samples with n= 3.0, 2.7, 2.4, and 2.1 were selected and named as pct2 to pct5, respectively. structural analysis of the support samples showed a significa...

Five new three-coordinate boron compounds with a B=N bond involving an indole or a substituted indole ligand including B(mesityl)2(indolyl), (1), B(mesityl)2(2-Me-indolyl), (2), B(mesityl)2(3-Me-indolyl), (3), B(mesityl)2 (7-Me-indolyl), (4), and B(mesityl)2(3-Ph-indolyl), (5) have been synthesized. The structures of these new compounds were determined by X-ray diffraction analyses. All five co...