Advanced QSRR Modeling of Organic Pollutants in Natural Water and Wastewater in Gas Chromatography Time-of-Flight Mass Spectrometry
Mehrdad
Shahpar
Director of Ilam Petrochemical Company, Ilam, Iran
author
Sharmin
Esmaeilpoor
Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697, Tehran, Iran
author
text
article
2018
eng
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.
Chemical Methodologies
Sami Publishing Company
2645-7776
2
v.
1
no.
2018
1
22
https://www.chemmethod.com/article_53806_ef6ed71ec4d7246e367f63a7ec20b964.pdf
dx.doi.org/10.22631/chemm.2017.100307.1012
A Comparative Study for Adsorption of Alizarin Red S from Aqueous Samples by Magnetic Nanoparticles of Fe3O4, CoFe2O4 and Ionic Liquid-Modified Fe3O4
Sedigheh
Kamran
Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran
author
Neda
Amiri Shiri
Department of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, Iran
author
text
article
2018
eng
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.
Chemical Methodologies
Sami Publishing Company
2645-7776
2
v.
1
no.
2018
23
38
https://www.chemmethod.com/article_53983_d7c2fe43f48db203d7e0fe8d1362fded.pdf
dx.doi.org/10.22631/chemm.2017.101267.1015
On Topological Indices of Circumcoronene Series of Benzenoid
Yingying
Gao
College of Pharmacy and Biological Engineering, Chengdu University, Chengdu, 610106, China
author
Mohammad Reza
Farahani
Department of Applied Mathematics of Iran University of Science and Technology (IUST), Narmak, Tehran 16844, Iran.
author
Waqas
Nazeer
Division of Science and Technology, University of Education, Lahore 54000, Pakistan
author
text
article
2018
eng
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 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 ε(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”.
Chemical Methodologies
Sami Publishing Company
2645-7776
2
v.
1
no.
2018
39
46
https://www.chemmethod.com/article_54920_d551f06d798e71e5899f5b0eb7a9c5a6.pdf
dx.doi.org/10.22631/chemm.2017.99300.1013
Rapid Synthesis of a Nano-sized Copper(II)Oxide by Calcination of the Cu(II)Schiff base Complex
Iran
Sheikhshoaie
Departemnt of Chemistry, Shahid Bahonar University of Kerman, Kerman, 76175, Iran
author
Soheila
Davary
Departemnt of Chemistry, Shahid Bahonar University of Kerman, Kerman, 76175, Iran
author
Samaneh
Ramezanpour
Departemnt of Chemistry, Shahid Bahonar University of Kerman, Kerman, 76175, Iran
author
text
article
2018
eng
n 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 nanoparticles. 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 nanoparticles was obtained at about 68 nm as determined by Debye- Scherrer equation from the data of X-ray diffraction.
Chemical Methodologies
Sami Publishing Company
2645-7776
2
v.
1
no.
2018
47
55
https://www.chemmethod.com/article_55030_3a149998f860a0dbb609cb7d8bcec208.pdf
dx.doi.org/10.22631/chemm.2017.105495.1023
Determination of Cu, Co, and Pb in selected frozen fish tissues collected from Benghazi markets in Libya
Nabil
Bader
Chemistry Department, Faculty of Science, University of Benghazi, Libya
author
Hamad
Hasan
Chemistry Department, Faculty of Science, Omar Al-Mukhtar University, Libya
author
Ahmed
EL-Denali
Chemistry Department, Faculty of Science, University of Benghazi, Libya
author
text
article
2018
eng
The concentrations of some heavy metals (Cu, Co, and Pb) were investigated in muscle, liver and gills of three fish species (Mullus surmuletus, Seriola dumerili, and Sparus aurata) collected from frozen fish markets in Benghazi city, Libya, during winter 2016, using flame atomic absorption spectrometry (FAAS). The mean concentrations (μg/g) of the heavy metals in fish tissues ranged as follows: Cu (44.80 – 79.33), Co (198.66 – 238.26), Pb (56 – 192). The highest mean concentration, 238.26μg/g was recorded for Co in the muscle of Mullus surmuletus, on the other, the lowest mean concentration, 44.80 μg/g, was recorded for Cu in gills of Mullus surmuletus. The concentrations for Cu and Pb in all fish samples were over the Effect Range-Low (ERL) but were under the Effect Range-Median (ERM) in metal pollution index (MPI). The concentrations of (Cu, Co and Pb) were higher than the maximum permissible limits specified by some food regulatory bodies like WHO. The results indicate that heavy consumption of frozen fishes in Benghazi city markets may pose a health risk to the consumers.
Chemical Methodologies
Sami Publishing Company
2645-7776
2
v.
1
no.
2018
56
63
https://www.chemmethod.com/article_55216_bd6b32d2f5fb0ffa65f95b1bc2c6f43e.pdf
dx.doi.org/10.22631/chemm.2018.109146.1027
Gas Chromatography Mass Spectrometry Analysis and Phytochemical Screening of Sterculiasetigera Oil
Mohamed
Ezeldin
Department of Chemistry, Faculty of Science and Technology, Omdurman Islamic University, Khartoum, Sudan
author
Christina Yacoub
Ishak
Department of Chemistry, Faculty of Science, University of Khartoum, Khartoum, Sudan
author
Marim
El jack
Department of food Technology , Faculty of Science and Technology, Omdurman Islamic University, Khartoum, Sudan
author
Said
Milad
Faculty of Veterinary Medicine, Zaytouna University, Tarhona, Libya
author
text
article
2018
eng
This research explored studied the gas chromatography mass spectrometry (GC-MS) analysis of the volatile organic compounds for normal hexane extract of Sterculia setiger seeds. The oil was extracted by cold extraction method, . the The phytochemical screening was tested for extracted oil . (GC-MS) analysis was carried out according to the standard analytical methods for crude oils. A total of 46 compounds were reported for normal hexane extract ,extract, besides there are some new compounds that have not been previously reported. All secondary metabolized compounds hashave been reported in the normal hexane extract except the phenolic compounds. The most abundant compounds in normal hexane extract are Pentadecanoic pentadecanoic acid, 1-(1,1-dimethylethyl)-2-methoxy- 4- methy-3,5 - dinitrobenzene, 3-cyano-2-oxa -1- ethoxy adamanane and Methyl pentcosanoate.
Chemical Methodologies
Sami Publishing Company
2645-7776
2
v.
1
no.
2018
64
72
https://www.chemmethod.com/article_55217_e3536ac5f92b9576ff7010fffc6611b7.pdf
dx.doi.org/10.22631/chemm.2018.100782.1014
An Efficient Method for Chemoselective Acetylation of Activated Alcohols Using Nano ZnFe2O4 as Catalyst
Ummae Ummarah
Shaikh
School of Chemical Sciences, SRTM University, Nanded, Maharashtra 431606, India
author
Qudsiya
Tamboli
Materials Research Laboratory, Shrikrishna Mahavidyalaya, Gunjoti Maharashtra 413613, India
author
S.M.
Pathange
Materials Research Laboratory, Shrikrishna Mahavidyalaya, Gunjoti Maharashtra 413613, India
author
Zeyad A.
Dahan
School of Chemical Sciences, SRTM University, Nanded, Maharashtra 431606, India
author
Zubaidha
Pudukulathan
School of Chemical Sciences, SRTM University, Nanded, Maharashtra 431606, India
author
text
article
2018
eng
The spinels of AB2O4 type display very interesting catalytic properties and have been shown to possess potential industrial applications . Especially spinels have been shown to be selective and active catalysts .Nano ZnFe2O4 ferrite synthesized by sol–gel auto-combustion method was found to be an efficient catalyst for acetylation of activated alcohols using acetic acid as reagent. A variety of activated alcohols undergo acetylation under the reaction conditions to afford the corresponding acetates in good yield. The salient features of this protocol include selectivity towards activated alcohols, use of cheap catalyst and environmentally benign protocol. The chemoselectivity of the protocol for activated systems making amines, phenols and other nucleophiles inert to the present reaction conditions makes this approach synthetically attractive and would supplement the many other protocols that are available.
Chemical Methodologies
Sami Publishing Company
2645-7776
2
v.
1
no.
2018
73
82
https://www.chemmethod.com/article_55218_223fe2b66cc3878f21ff10cd1efb4f7d.pdf
dx.doi.org/10.22631/chemm.2018.98718.1011