ABSTRACT. Let G be a connected graph with vertex and edge sets V (G) and E(G), respectively. The first Zagreb index M1(G) was originally defined as as the sum of the squares of the degrees of all vertices of G Recently, we know a new version of the first Zagreb index as the Multiplicative Zagreb Eccentricity index that introduced by Nilanjan De and e(u) is the largest distance between u and any other vertex v of G. In this paper we compute this new topological index of famous molecular graph “Circumcoronene Series of Benzenoid Hk”.

Water pollution is a major global problem which requires ongoing evaluation and revision of water resource policy at all levels (international down to individual aquifers and wells. It has been suggested that it is the leading worldwide cause of deaths and diseases, and that it accounts for the deaths of more than 14,000 people daily. Genetic algorithm-partial least square (GA-PLS), Kernel partial least square (GA-KPLS) and Levenberg-Marquardt artificial neural network (L-M ANN) techniques were used to investigate the correlation between retention time (RT) and descriptors for 150 organic contaminants in natural water and wastewater which obtained by gas chromatography coupled to high-resolution time-of-flight mass spectrometry (GC-TOF MS). The L-M ANN model gave a significantly better performance than the other models. This indicates that L-M ANN can be used as an alternative modeling tool for quantitative structure–retention relationship (QSRR) studies.

The nanoparticles of CoFe2O4, Fe3O4, and ionic liquid-modified Fe3O4 with 1-octyl-3-methylimidazolium bromide, (IL-Fe3O4), have been prepared and their characteristics for adsorption ofalizarin red S dye (ARS) have been compared. The mean size and the surface morphology of the nanoparticles were characterized by TEM, XRD and FTIR techniques. Adsorption of ARS was performed under different experimental conditions in batch technique. The isotherm evaluations show that the Langmuir model obtained better fits with the equilibrium data. The maximum adsorption capacities were 140.8, 192.3 and 256.4 mg of ARS per gram Fe3O4, CoFe2O4 and IL-Fe3O4 nanoparticles, respectively. The applicability of two kinetic models including pseudo-first order and pseudo-second order models were estimated as the basis of comparative analysis of the corresponding rate parameters, equilibrium adsorption capacity and correlation coefficients. The adsorption processes for the case of Fe3O4 and IL-Fe3O4 nanoparticles as adsorbents were endothermic but was exothermic when CoFe2O4 nanoparticles were used. The dye was desorbed by analkaline solution at pH 9.0 from Fe3O4 and by an acidic solution at pH 3.0 from both IL-Fe3O4 and CoFe2O4 nanoparticles. The recovered nanoparticles were successfully reused for more removal of the dye.

This research explored the gas chromatography mass spectrometry (GC-MS) analysis of volatile organic compounds for normal hexane extract of Sterculia setiger seeds. The oil was extracted by cold extraction method, the phytochemical screening was tested for extracted oil. (GC-MS) analysis was carried out according to standard analytical methods for crude oils. A total of 46 compounds were reported for normal hexane extract , besides there are some new compounds that have not been previously reported. All secondary metabolized compounds has been reported in the normal hexane extract except the phenolic compounds. The most abundant compounds in normal hexane extract are Pentadecanoic acid, 1-(1,1-dimethylethyl)-2-methoxy- 4- methy-3,5 - dinitrobenzene,3-cyano-2-oxa -1- ethoxy adamanane and Methyl pentcosanoate.

In this study, the Cu Schiff base complex was successfully synthesized through a facile and rapid method. Then the complex was calcinated at 700 °C for 2 h under air atmosphere leading to CuO nano particles. The synthesized CuO nanoparticles were characterized by FT-infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy dispersive spectroscopy (EDS). The XRD analysis confirmed that the samples were crystallized in the monoclinic CuO phase. The average crystallite size of the nano-sized of CuO nano particles was obtained about 68 nm as determined by the Debye- Scherrer equation from the data of X-ray diffraction.