Aromaticity, antiaromaticity and chemical bonding in the ground (S0), first singlet excited (S1) and lowest triplet (T1) electronic states of disulfur dinitride, S2N2, were investigated by analysing the isotropic magnetic shielding, σiso(r), in the space surrounding the molecule for each electronic state. The σiso(r) values were calculated by state-optimized CASSCF/cc-pVTZ wave functions with 22 electrons in 16 orbitals constructed from gauge-including atomic orbitals (GIAOs). The S1 and T1 electronic states were confirmed as 11Au and 13B3u, respectively, through linear response CC3/aug-cc-pVTZ calculations of the vertical excitation energies for eight singlet (S1–S8) and eight triplet (T1–T8) electronic states. The aromaticities of S

New biscarboxylato zwitterionic ligands, namely bis(N-carboxylatoethyl)-4,4 -dipyridinum) L1 and bis(Ncarboxylatopropyl)-)-4,4 -dipyridinum) L2, were synthesized from the reaction of 4,4 -dipyridine with 3-bromopropanoic acid and 4-bromobutanoic acid, respectively. The reaction of these ligands and the azido coligand with some metal ions resulted in the formation of polymeric complexes of general formulae [Cr2(Ln)(N3)4]Cl2·H2O and [M2(Ln)(N3)4] xH2O, where (M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II); n = 1, 2; x = 1, 1, 1, 1, 0, 1, and 1, respectively.) The oxygens of the carboxylato group are coordinated to the metal ion in a bidentate fashion. The mode of bonding and overall geometry of the complexes were determin

This research involves the synthesis of some sulphanyl benzimidazole derivatives (Ia-c), which were prepared from reaction of 2-mercaptobenzimidazole substituted benzyl halide, and structures were identified by spectral methods[FTIR, 1H-NMR and 13C-NMR].These compounds were investigated as corrosion inhibitors for carbon steel in 1M H2SO4 solution using weight loss, potentiostatic polarization methods; obtained results showed that the sulphanyl benzimidazole derivatives retard both cathodic and anodic reactions in acidic media, by virtue of adsorption on the carbon steel surface. This adsorption obeyed Langmuir’s adsorption isotherm. The inhibition efficiency of (Ia-c) ranging between (65-92) %. By using different Ib derivative conc

Coumarin is a natural substance isolated from different plants. It belonges to a group of benzobyrones which consists of a benzene ring joined to a pyrone nucleus. In the present research, a new series of coumarin derivatives were formed. Compound (1) (7-hydroxy-4-methyl Coumarin) was converted into 4-methylquinolin-2(H) derivative (2) by reaction with acetamide, and then reaction of (2) with thiosemicarbazide in ethanol leads to the synthesize of hydrazincarbothioamide derivative (3).The reaction of (3) with ethylchloroacetate in presence of sodium acetate leads to closure ring to get [(1-(5-oxo-2-thioxoimidazolidin-1-ylimino) ethyl)]quinolin-2(1H)-one (4). Mannich bases were prepared through the reaction of (4) with primary

Letrozole (LZL) is a non-steroidal competitive aromatase enzyme system inhibitor. The aim of this study is to improve the permeation of LZL through the skin by preparing as nanoemulsion using various numbers of oils, surfactants and co-surfactant with deionized water. Based on solubility studies, mixtures of oleic acid oil and tween 80/ transcutol p as surfactant/co-surfactant (Smix) in different percentages were used to prepare nanoemulsions (NS). Therefore, 9 formulae of (o/w) LZL NS were formulated, then pseudo-ternary phase diagram was used as a useful tool to evaluate the NS domain at Smix ratios: 1:1, 2:1 and 3:1.

In this paper, Activated Carbon was successfully prepared from local Iraqi material namely corns stalks .Zinc chloride ZnCl2 was used as activating agent with different concentrations (20%, 40%, 60%) for 72 hours. followed by carbonization at 450 C for (2) hour. UV-Spectrophotometer used for measuring absorbance of methylene blue solutions before and after adsorption. the maximum amount adsorbed for methylene blue material of the prepared activated Carbon was studied by Langmuir adsorption isotherm. Other characteristics of the resulting activated Carbon also discussed, such as pH, Moisture Content and ash content. Finally Activated carbon prepared in this work has good properties compared to the standard samples in such a way it could be

Atorvastatin calcium (ATR) is an antihyperlipidemic agent used for lowering blood cholesterol levels. However, it is very slightly soluble in water with poor oral bioavailability, which interferes with its therapeutic action. It is classified as a class II drug according to Biopharmaceutical Classification System (low solubility and high permeability).

Magnetic plaster kiln dust (MPKD) was synthesized as a unique, low-cost composite reused of byproduct plaster kiln dust (PKD), which is considered a source of air pollution. The FESEM, EDS, XRD, FTIR, VSM, and BET tests were used to characterize the MPKD. The characterization revealed that the MPKD was nanotubes non-agglomerated and super-paramagnetic with a high specific surface area (102.7 m²/g). Compared with the specific area of other materials (composites), the MPKD could be considered a promising substance in the field of water/wastewater treatment.

Nanosponges (NS) of etodolac(ETO) was prepared using the emulsion solvent diffusion method ; the effects of drug: polymer ratio, the effect of level concentration of internal phase and stirring time and other variables that effect on the physical characteristics of NS were investigated and characterized, The selected formula was lyophilized then incorporated into hydrogel ; which also evaluated .The results show that the formulation that contain Drug: PVA:EC in ratio 1:3:2 is the best with smallest particle size 40.2±0.098 with polydispersibility0.005 and in vitro release 97.6±0.11%, , ETO NS Carbopol hydrogel produced a significant(p<0.05) improvement of the in vitro release than pure ETO hydrogel.