Indian Journal of Chemistry

Sect. A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical

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CODEN: ICACEC; ISSN: 0376-4710 (Print), 0975-0975 (Online)

 

 

 

 

VOLUME 55A

NUMBER 11

NOVEMBER 2016

 

CONTENTS

 

 

1297

 

Co(II) complex of 2-amino-6-methylbenzothiazole: Synthesis, structure and biological evaluation

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

S Jone Kirubavathy, R Velmurugan,
R Karvembu, N S P Bhuvanesh,
I V M V Enoch, P Mosae Selvakumar & S Chitra
*

 

 

 

Cobalt(II) complex bearing amino benzothiazole ligand has been synthesized and characterized. The ligand, acts as monodentate, neutral ligand with N as the donor site. The Co(II) complex shows low antioxidant activity against DPPH radical. Cytotoxicity of the complex (IC50: 14.12 µM) against MCF-7 cell line is comparable to that of cisplatin. In addition, the complex shows good antimicrobial and antituberculosis activities. The DNA binding ability of the ligand and complex, assessed by absorption spectra, reveals a minor groove binding with binding constant = 1.24×104 M-1.

 

 

 

 

1305

 

Crystal structures and biological evaluation of
Cu(II) complexes with 3-ethyl-2-acetylpyrazine N(4)-isopropylthiosemicarbazone

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Xiuqin Ma, Taofeng Zhu, Weina Wu,
Pandong Mao, Lei Jia, Yuan Wang*,
Zhen Wang, Ying Hou, Zhihong Cao,
Hong
Chen, Jing Xie, Xinnan Gu*, Tieliang Ma
*

 

 

Cu(II) complexes with 3-ethyl-2-acetylpyrazine N(4)-isopropyl-thiosemicarbazone has been synthesized and characterized.
The complexes can inhibit the proliferation of three cancer cell lines, viz.,
human hepatoma cells SMMC-7721, human gastric cancer SGC-7901 and human pancreatic cancer Patu-8988, which may be related to increase of tumor cell apoptosis.

 

 

 

 

1314

 

Interaction studies in binary liquid mixtures of ether and alcohols at different temperatures

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Gyan Prakash Dubey* & Krishan Kumar

 

 

 

The thermodynamic properties of binary liquid mixtures of triethyleneglycol monomethyl ether and alcohols (1-hexanol,
1-octanol, 1-decanol) show that interaction decreases as the number of carbon atoms in the alcohol molecule increases. Positive values of
 and ∆ show that volume expansion takes place on addition of alcohols to the ether. The negative values of ∆u and Δη indicate the presence of weak intermolecular forces which follow the order:
1-hexanol > 1-octanol > 1-decanol.

 

 

 

 

Fig. 1.tif

 

 

 

1325

 

Electrochemical impedance spectroscopy of homo and copolymer of aniline and 2,4- dinitrophenol in a binary electrolyte system

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Ali Parsa*, Ebtesam Sobhani, Azadeh Shakeri & Farnoush Fridbod

 

 

 

Electropolymerization of PAni and poly(Ani-co-2,4 DNP) has been carried out in aqueous medium using KCl and PTSA as supporting electrolytes. The charge transfer resistance of polyaniline and copolymers of aniline with 2,4-dinotrophenol electrosynthesized
in presence of KCl is much less than that electrosynthesized in
its absence.

 

 

Graphical Abstract.tif

 

 

 

Notes

 

1334

 

Interaction of ADN with some group II and III elements

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Lemi Türker

 

 

 

Ammonium dinitramide has been studied quantum chemically at the UB3LYP/6-31++G(d,p) level in the presence of Be, Mg, B and Al. ADN is reduced by Be and Mg, accompanied by the removal of NO2 moiety which has a negative total charge.

 

 

 

 

1342

 

Synthesis, structure, spectral and theoretical studies of an organic decachlorotricadmate(II)

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Melek Hajji & Taha Guerfel*

 

 

 

An organic chlorocadmate, built up by 1-D polymeric chains formed by CdCl6 edge-sharing octahedra has been prepared. Intermolecular interactions and crystal packing reveals that the close contacts are mainly due to salt bridges and N–HCl hydrogen bonds.

 

 

 

 

 

1347

 

Green synthesis of CuO/RHA-MCM-41 nanocomposite by solid state reaction: Characterization and antibacterial activity

 

 

 

 

 

 

 

 

 

 

 

 

Monireh Ziksari & Afshin Pourahmad*

 

 

 

Rice husk, combusted at 600 ºC for production of amorphous silica, is used for the preparation of CuO/RHA-MCM-41 nanocomposites containing 5.0 and 10.0 wt.% Cu under solid state reaction.

 

 

 

 

Authors for correspondence are indicated by (*)

 

 

 

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Indian Journal of Chemistry

Vol. 55A, November 2016, pp. 1297-1304

 

 

Co(II) complex of 2-amino-6-methylbenzothiazole: Synthesis,

structure and biological evaluation

S Jone Kirubavathya, R Velmuruganb, R Karvembuc, N S P Bhuvaneshd, I V M V Enoche,
P Mosae Selvakumare & S Chitraa, *

aDepartment of Chemistry, PSGR Krishnammal College for Women, Coimbatore 641 004, India

Email: chitrapsgrkc@gmail.com

bDepartment of Chemistry, Kongunadu Arts and Science College, Coimbatore 641029, India

cDepartment of Chemistry, National Institute of Technology, Tiruchirappalli 620015, India

dDepartment of Chemistry, Texas A&M University, College Station, TX 77842, USA

eDepartment of Chemistry, Karunya University, Coimbatore 641114, India

Received 9 September 2016; revised and accepted 26 October 2016

Cobalt(II) complex of 2-amino-6-methylbenzothiazole has been synthesized and characterized by various physico-chemical methods. The ligand 2-amino-6-methylbenzothiazole acts as monodentate, neutral ligand with N as the donor site. The molecular structure of the title complex has been determined by single crystal
X-ray diffraction studies. The Co(II) complex shows significant antioxidant activity against DPPH radical. The complex shows cytotoxicity with a IC50 value of 14.12 µM against MCF-7 cell line. In addition, the complex shows good antimicrobial and anti-tuberculosis activities against various microbes and mycobacterium tuberculosis respectively. DNA binding of the title complex has been investigated by absorption spectroscopic technique, which reveals that the complex acts as minor groove binder. These results have been validated by molecular docking studies.

Keywords: Co-ordination chemistry, Cobalt, Benzothiazole, Magnetic properties, Antituberculosis activity, Molecular docking

 

Indian Journal of Chemistry

Vol. 55A, November 2016, pp. 1305-1313

 

 

Crystal structures and biological evaluation of Cu(II) complexes with
3-ethyl-2-acetylpyrazine N(4)-isopropylthiosemicarbazone

Xiuqin Maa, Taofeng Zhua, Weina Wub, Pandong Maob, Lei Jiab, Yuan Wangb, *, Zhen Wangb, Ying Houb,

aThe Affiliated Yixing Hospital of Jiangsu University, Yixing, Jiangsu, China

bDepartment of Physics and Chemistry, Henan Polytechnic University, Jiaozuo, Henan, China

Email: matieliang@foxmail.com (TM)/ wangyuan08@hpu.edu.cn (YW)

Received 20 June 2016; accepted 21 October 2016

Five Cu(II) complexes, [Cu(L)2]·CH3OH (1), [CuLCl] (2), [CuLBr] (3), [CuL(NO3)] (4) and [Cu2(L)2(SO4)]·3H2O·CH3OH (5), based on HL (where HL = 3-ethyl-2-acetylpyrazine N(4)-isopropylthiosemicarbazone) have been synthesized and characterized by X-ray diffraction analyses. The complexes (1) and (2) are mononuclear, while the other three are binuclear. In vitro experiments carried out to investigate the effect of complexes (1-5) on human hepatoma cells SMMC-7721, human gastric cancer SGC-7901 and human pancreatic cancer Patu-8988 show that complexes (1-5) can inhibit the proliferation of all the three cancer cell lines. The inhibition of cell growth is related to increase of tumor cell apoptosis, which is further confirmed by results of western blotting wherein the expression of p53 and Bax increased, and expression of Bcl-2 decreased in complex (3) treated SMMC-7721 cells.

Keywords: Bioinorganic chemistry, Thiosemicarbazones copper, 3-Ethyl-2-acetylpyrazine, Crystal structures, Antitumor activity

 

Indian Journal of Chemistry

Vol. 55A, November 2016, pp. 1314-1324

 

 

Interaction studies in binary liquid mixtures of ether and alcohols
at different temperatures

Gyan Prakash Dubeya, * & Krishan Kumarb

aDepartment of Chemistry, Kurukshetra University, Kurukshetra 136 119, India

bDepartment of Chemistry, Deenbandhu Chhotu Ram University of Science & Technology, Murthal, Sonepat 131 039, India

Email: gyan.dubey@rediffmail.com (GD)/ krishankumar.chem@dcrustm.org (KK)

Received 6 June 2016; revised and accepted 31 October 2016

Densities (ρ), speeds of sound () and viscosities (η) of binary liquid mixtures of triethylene glycol monomethyl ether and alcohols (1-hexanol, 1-octanol, and 1-decanol) and those of pure liquids at 293.15, 298.15, 303.15 and 308.15 K and atmospheric pressure are reported over the entire composition range. Using the experimental results, excess molar volumes (), isentropic compressibilities (), deviation of isentropic compressibilities (∆), deviation of the speeds of sound (∆u) and viscosity deviations () have been calculated to understand the intermolecular interactions between the component molecules. These excess properties have been correlated with composition using the Redlich-Kister polynomial equation. The positive values of  and ∆ show that volume expansion takes place on addition of alcohols to the ether. The negative values of ∆u and  also indicate the presence of weak intermolecular forces which follow the order:
1-hexanol > 1-octanol > 1-decanol.

Keywords: Solution chemistry, Excess properties, Binary mixtures, Ethers, Alcohols,
Triethyleneglycol monomethyl ether

 

Indian Journal of Chemistry

Vol. 55A, November 2016, pp. 1325-1333

 

 

Electrochemical impedance spectroscopy of homo and copolymer of aniline and 2,4- dinitrophenol in a binary electrolyte system

Ali Parsaa,*, Ebtesam Sobhania, Azadeh Shakeria & Farnoush Fridbodb

aDepartment of Chemistry, College of Science, Yadegar -e- Imam Khomeini (RAH) Shahre-rey Branch,
Islamic Azad University, Tehran, Iran

Email: aliparsa@iausr.ac.ir/iausr.parsa@yahoo.com

bDepartment of Analytical Chemistry, University of Tehran, Iran

Received 12 June 2016; re-revised and accepted 2 November 2016

Electropolymerization of aniline and 2,4-dinitrophenol on composite graphite electrode in phosphoric acid medium has been investigated by cyclic voltammetry. The copolymer has been synthesized in a mole ratio of 1:1 of aniline and 2,4-dinitrophenol in aqueous medium with para-toluene sulfonic acid and KCl as the binary supporting electrolytes. The properties of the modified electrodes have been characterized and compared with each other by FTIR spectroscopy. The inductive behavior of polyaniline and copolymers of aniline with 2,4-dinitrophenol has been identified via electrochemical impedance spectroscopy by determining parameters such as impedance and capacitance.

Keywords: Electrochemistry, Electropolymerization, Impedance spectroscopy, Dinitrophenol, Inductive behavior, Polyaniline

 

 

Indian Journal of Chemistry

Vol. 55A, November 2016, pp. 1334-1341

 

 

Interaction of ADN with some group II and III elements

Lemi Türker

Middle East Technical University, Department of Chemistry, Ankara-Turkey

Email: lturker@metu.edu.tr

Received 6 January 2016; revised and accepted 26 October 2016

Ammonium dinitramide (ADN) has been studied quantum chemically at the level of UB3LYP/6-31++G(d,p) in order to get some information about its behavior in the presence of some group II and III elements (viz., Be, Mg, B and Al). The results indicate that Be and Mg are being oxidized by AND, but B and Al are not. In the case of Be and Mg, the reduction of ADN is accompanied by the removal of NO2 moiety which has negative total charge. On the other hand, the interaction pattern of these elements with dinitramic acid (HDN) in the presence of ammonia (HDN+NH3+element, ternary composites) is different than the isomeric/isoelectronic binary (ADN+element) composites. Some quantum chemical properties of those binary and ternary composite systems are also presented.

Keywords: Ammonium dinitramide, Dinitramic acid, Oxidizer, Energetic materials, Propellants

 

Indian Journal of Chemistry

Vol. 55A, November 2016, pp. 1342-1346

 

Synthesis, structure, spectral and theoretical studies of an organic decachlorotricadmate(II)

Melek Hajji & Taha Guerfel*

Laboratoire d’Electrochimie, Matériaux et Environnement,
Institut Préparatoire aux Etudes d’Ingénieurs de Kairouan, Université de Kairouan, 3100 Kairouan, Tunisia

Email: taha_guerfel@yahoo.fr

Received 27 July 2016; revised and accepted 31 October 2016

Synthesis, crystal structure, DFT calculations, thermal analysis, electrochemical measurements, IR, Raman and UV spectroscopic investigations of an organic decachlorotricadmate(II) (C4H14N2)2[Cd3Cl10] (C4H14N2 = N',N'-dimethylethane-1,2-diaminium) (1) are described. The structure of (1) provides a new one-dimensional polymer built up from a trinuclear [Cd3Cl10]4- anion located in a special position and charge balanced by an unique (C4H14N2)2+ cation. The anion and the organic cation are interlinked by N–HLCl hydrogen bonds. Thermal analysis of (1) reveals its anhydrous character.

Keywords: Crystal structure, Density functional calculations, Thermal analysis, Cadmium, Decachlorotricadmate(II), N',N'-dimethylethane-1,2-diaminium

 

Indian Journal of Chemistry

Vol. 55A, November 2016, pp. 1347-1351

 

 

Green synthesis of CuO/RHA-MCM-41 nanocomposite by solid state reaction: Characterization and antibacterial activity

Monireh Ziksari & Afshin Pourahmad*

Department of Chemistry, Faculty of Science, Rasht Branch, Islamic Azad University, Rasht, Iran

Email: pourahmad@iaurasht.ac.ir/afshinpourahmad@yahoo.com

Received 25 August 2016; revised and accepted 20 October 2016

The fabrication and characterization of mesoporous siliceous MCM-41 nanoparticles under room temperature using rice husk ash as an alternative cheap silica source is reported. Rice husk, combusted at 600 ºC for the production of amorphous silica, has been used for the preparation of CuO/RHA-MCM-41 nanocomposites containing 5.0 and 10.0 wt.% Cu under solid state reaction and calcined at 300 and 500 °C. XRD results reveal diffraction peaks for each of the two compounds in the nanocomposite. In the FT-IR spectra, all bands in nanocomposite sample show a shift with respect to that of the matrix nanoparticles, indicating that the copper oxide is incorporated in the matrix. TEM images indicate that nanoparticles size of CuO is ~ 4 nm. The novel nanocomposite exhibits excellent antibacterial activity against gram-positive (S. aureus) and gram-negative
(E. coli) bacteria.

Keywords: Nanocomposites, Solid state reaction, Silica, Mesoporous copper oxide, Copper oxide, Rice husk, Antimicrobial activity, Green chemistry