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 4

April 2016

 

CONTENTS

 

 

403

 

Heterogeneous catalyst Mn(salicylaldimine) complex covalently bonded to α-titanium phosphate: Synthesis, characterization and catalytic activity for oxidation
of cyclohexane

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

S Khare*, P Shrivastava, J S Kirar & S Parashar

 

 

 

The heterogeneous catalytic system, α-TiP.Mn(salicylaldimine)/TBHP, gives a maximum of 14.75% conversion and 91.70% selectivity for KA oil in oxidation of cyclohexane. The catalyst can be reused for four cycles.

 

 

 

 

 

 

413

 

Experimental and theoretical spectral investigations
of 5-chloro-orthomethoxyaniline using FT-IR,
FT-Raman and DFT analysis

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

G Venkatesh, M Govindaraju* & P Vennila

 

 

 

Vibrational spectral analyses have been carried out using FT-IR and FT-Raman spectra for 5-chloro-ortho-methoxyaniline. The fundamental vibrational frequencies and intensity of vibrational bands are evaluated by DFT calculations.

 

 

 

Notes

 

423

 

Ultrasound assisted emulsification microextraction for selective determination of trace amount of mercury(II)

 

 

 

 

 

 

 

 

 

 

 

Leila Hajiaghababaei*, Saeed Zandinejad, Sana Berijani & Saeed Suzangarzadeh

 

 

 

 

 

 

 

429

 

Synthesis and characterization of titania-magnetic activated carbon composite for photocatalytic degradation and mineralization of p-nitrophenol

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Surabhi N Shintre & Pragati Thakur*

 

 

 

 

 

 

435

 

Host-guest complexation between 3-hydroxyflavone and β-cyclodextrin: Preparation, characterization and cytotoxicity studies

 

 

 

 

 

 

 

 

 

 

 

Arumugam Praveena,
Meenakshisundarm Swaminathan,
Samikannu Prabu & Rajaram Rajamohan
*

 

 

 

Inclusion complex of HF with β-CD has been prepared by various synthetic method such as physical, kneading and co-precipitation methods. No major difference is observed between the cytotoxic activities of pure HF and its solid complex against breast cancer cell line.

 

 

 

 

 

HF                                         HF: β-CD

 

 

 

441

 

In situ formation of silver nanoparticles in thermosensitive glycogels and evaluation of its antibacterial activity

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Anuja S Kulkarni, Vaishali P Dhanwe,
Archana B Dhumure, Ayesha Khan,
Vaishali S Shinde* & Pawan Kumar Khanna
*

 

 

 

Colloidal AgNPs have been synthesized using PNIPAm-co-PGalAm hydrogel, where the anomeric masked aldehyde of sugar moiety plays the role of reducing agent. As an excellent stabilizer, PNIPAm anchors the AgNPs in the hydrogel, while with PGalAm as a reducing agent the AgNPs formed are well distributed on the surface of the hydrogel. This gel composite shows enhanced antibacterial activity.

 

Graphical Abstract.tif

 

 

 

447

 

Synergistic interactions in W/O microemulsions containing imidazolium based C12mimBr and sodium lauryl sulfate

 

 

 

 

 

 

 

 

 

 

 

 

 

 

J L Chai*, J Q Zhang, N Liu, N Hou, J W Song,
Y Zhang & J J Lu

 

 

The physicochemical properties and synergistic effects of W/O microemulsion systems containing imidazolium based surfactant, 1-dodecyl-3-methylimidazolium bromide (C12mimBr)-sodium lauryl sulfate (SLS)/ alcohol/alkane/ 5% NaCl solution at different molar ratios of water-to-surfactant (ω0) are studied. The W/O microemulsions are formed at the molar fractions of SLS-to-C12mimBr+SLS (XSLS) ranges of 0.0-0.3 and 0.7-1.0. Synergism between C12mimBr and SLS  is found  to exist in the W/O microemulsions containing these two surfactants.

 

 

 

Authors for correspondence are indicated by (*)

 

 

 

 

 

 

 

 

 

 

 

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Indian Journal of Chemistry

Vol. 55A, April 2016, pp. 403-412

 

 

Heterogeneous catalyst Mn(salicylaldimine) complex covalently bonded to α-titanium phosphate: Synthesis, characterization and catalytic activity for oxidation of cyclohexane

S Khare*, P Shrivastava, J S Kirar & S Parashar

School of Chemical Sciences, Takshashila Campus, Khandwa Road, Devi Ahilya University,
Indore (MP) 452 001, India

Email: kharesavita@rediffmail.com

Received 25 January 2016; revised and accepted 21 March 2016

A new heterogeneous catalyst, Mn(salicylaldimine) complex covalently bonded to α-titanium phosphate has been synthesized by in situ method and characterized by BET surface area, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray analysis, Fourier transform infrared spectra, X-ray photoelectron spectroscopy and inductively coupled plasma atomic emission spectroscopy. The catalytic activity of
α-TiP.Mn(salicylaldimine) is studied for the liquid phase oxidation of cyclohexane using
tert-butylhydroperoxide as an oxidant under solvent-free condition. In the oxidation reaction, cyclohexane is oxidized to cyclohexanol, cyclohexanone and some unidentified products. A maximum conversion (14.75%) of cyclohexane with 91.70% selectivity of KA-oil is obtained at 353 K after 6 h of reaction time. The catalyst can be reused for four cycles without significant loss of catalytic activity.

Keywords: Catalysts, Heterogeneous catalysts, Oxidation, Titanium phosphate, Cyclohexane, Salicylaldimine,
tert-Butylhydroperoxide

 

Indian Journal of Chemistry

Vol. 55A, April 2016, pp. 413-422

 

 

Experimental and theoretical spectral investigations of 5-chloro-ortho-methoxyaniline using FT-IR, FT-Raman and DFT analysis

G Venkatesha, M Govindarajub, * & P Vennilac

aR&D Centre, Bharathiar University, Coimbatore 641 046, India

bDepartment of Chemistry, Arignar Anna Government Arts College, Namakkal 638 052, India

cDepartment of Chemistry, Thiruvalluvar Government Arts College, Rasipuram 637 401, India

Email: kvchempro@gmail.com

Received 17 September 2015; re-revised and accepted 28 March 2016

Vibrational spectral analyses have been carried out using FT-IR and FT-Raman spectra for 5-chloro-ortho-methoxyaniline (5COMA). The fundamental vibrational frequencies and intensity of vibrational bands are evaluated using density functional theory. The vibrational spectra have been interpreted with the help of normal coordinate analysis based on scaled quantum mechanical force fields. The first-order hyperpolarizability and the anisotropy polarizability invariant have been computed with the numerical derivative of the dipole moment. The HOMO-LUMO energies, atomic charges, hardness, softness, ionization potential, electronegativity and electrophilicity index have been calculated. Natural atomic charges, nonlinear optical, 1H NMR and 13C NMR data have been employed to study the electronic properties of 5COMA using the B3LYP functional with
6-311G** basis set
. Molecular electronic potential and Mulliken’s charges have been obtained using the DFT calculation method. Electronic excitation energies, oscillator strength and nature of the respective excited states have been calculated by the closed-shell singlet calculation method.

Keywords: Theoretical chemistry, Density functional calculations, Natural atomic charges, Nonlinear optics, Vibrational spectroscopy, Raman spectroscopy, HOMO-LUMO, First-order hyperpolarizability

 

Indian Journal of Chemistry

Vol. 55A, April 2016, pp. 423-428

 

 

Ultrasound assisted emulsification microextraction for selective
determination of trace amount of mercury(II)

Leila Hajiaghababaeia, *, Saeed Zandinejada, Sana Berijanib& Saeed Suzangarzadeha

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

Email: lhajiaghababaei@yahoo.com

bDepartment of Applied Chemistry, Faculty of Science, Islamic Azad University,
South Tehran Branch, Tehran, Iran

Received 8 April 2015; revised and accepted 16 March 2016

An environmental friendly sample pre-treatment method, ultrasound assisted emulsification microextraction, followed by furnace atomic absorption spectrometry is reported for the selective determination of mercury(II). Parameters that affect the extraction efficiency, such as the kind and volume of the extraction solvent, volume of chelating agent, sample pH, extraction time, temperature and addition of salt, are optimized. Under the optimum conditions for extraction recovery, 80 µL of tetrachloroethylene as extraction solvent and 1000 µL of [4-benzylidenamino- 3,4 dihydro-6-methyl 3-thioxo-1,2,4-triazin-5(2H)-one] as complexing agent give the best results. Under the optimum conditions, the calibration curve is linear in the range of
100-800 µg L-1, relative standard deviation is 2.8% for five analysis
of sample solution containing 0.3 mg L1 Hg(II) with the limit of detection of 0.043 mg L-1. The method has been applied successfully for assessing matrix effect by analysis of non-spiked and spiked real samples. The results demonstrate a successful robustness of the method for quantitative and selective determination of trace amount of mercury(II) in water and wastewater samples with relative recovery of 96-103%.

Keywords: Analytical chemistry, Ultrasound assisted emulsification microextraction, Graphite furnace atomic absorption spectrometry, Mercury

 

Indian Journal of Chemistry

Vol. 55A, April 2016, pp. 429-434

 

 

Synthesis and characterization of titania-magnetic activated
carbon composite for photocatalytic degradation and
mineralization of p-nitrophenol

Surabhi N Shintreb & Pragati Thakura, *

aDepartment of Chemistry, Savitribai Phule Pune University, Ganeshkhind, Pune 411 007, India

Email: prthakur@chem.unipune.ac.in

bDepartment of Chemistry, MES Abasaheb Garware College, Pune 411 004, India

Received 12 May 2015; re-revised and accepted 21 March 2016

A novel, magnetically separable composite photocatalyst, titania coated with magnetic activated carbon, is prepared by depositing TiO2 onto the surface of magnetic activated carbon which was prepared by directly adsorbing of magnetic Fe2O3 nanoparticles onto activated carbon. The samples are characterized by X-ray diffraction, scanning electron microscopy and vibration sample magnetometer. Specific surface area is determined by BET method and is found to be 381 m2/g. The photocatalytic activity of the composite is determined by degradation of the model contaminant of water, i.e., p-nitrophenol. The degradation rate of
p-nitrophenol by composite was higher than 90% after the composite was reused for five cycles. The synergy factor for the degradation of p-nitrophenol by titania coated with magnetic activated carbon was found to be 1.45. The composite can be easily separated by a magnet.

Keywords: Photocatalysts, Catalysts, Titania coated magnetic activated carbon, Magnetic activated carbon, Nitrophenol

Indian Journal of Chemistry

Vol. 55A, April 2016, pp. 435-440

 

 

Host-guest complexation between 3-hydroxyflavone and
β-cyclodextrin:
Preparation, characterization and
cytotoxicity studies

Arumugam Praveenaa, Meenakshisundarm Swaminathanb, Samikannu Prabuc, Rajaram Rajamohand, *

aDepartment of Chemistry, Idhaya Engineering College for Women, Chinna Salem 606 201, Tamil Nadu, India

d*Department of Chemistry, SKP Institute of Technology, Tiruvannamalai 606 611, Tamil Nadu, India

bDepartment of Chemistry, Annamalai University, Annamalainagar 608 002, Tamil Nadu, India

cDepartment of Chemistry, SKP Engineering College, Tiruvannamalai 606 611, Tamil Nadu, India

Email: rajmohanau@gmail.com

Received 25 June 2015; re-revised and accepted 4 April 2016

The inclusion complex of HF with β-CD has been prepared by various synthetic method such as physical method (PM), kneading method (KM) and co-precipitation method (CP) and characterized by UV, luminescence spectra, Fourier transform infrared spectroscopy, scanning electron microscopy and powder X-ray diffraction. Investigations into the anticancer activity of the solid complex against breast cancer cell line show that it is not much better than that of the HF alone. Both the HF and its solid complex show the poor anticancer activity against MDA MB 231 cell line.

Keywords: Host-guest complexation, Hydroxyflavones, Cytotoxicity, Inclusion complexes, Cyclodextrin

 

Indian Journal of Chemistry

Vol. 55A, April 2016, pp. 441-446

 

 

In situ formation of silver nanoparticles in thermosensitive glycogels
and
evaluation of its antibacterial activity

Anuja S Kulkarnia, Vaishali P Dhanweb, Archana B Dhumurea, Ayesha Khana,
Vaishali S Shindea, * & Pawan Kumar Khannab, *

aDepartment of Chemistry, Savitribai Phule Pune University, Pune 411 007, India

Email: vsshinde@chem.unipune.ac.in

bDepartment of Applied Chemistry, Defence Institute of Advanced Technology (DIAT),
Pune 411 025, India

Email: pawankhanna2002@yahoo.co.in

Received 17 July 2015; revised and accepted 4 April 2016

Copolymeric thermosensitive hydrogel, N-isopropylacrylamide and glycomonomer based on D-galactose have been synthesized by free radical polymerization using 2,2′-azobis-isobutyronitrile as initiator and ethylene glycol dimethacrylate as crosslinker. This hydrogel has been further used as template to synthesize AgNPs. The composite glycogel containing AgNPs has been characterized by different techniques and tested for antibacterial activity against E. coli and P. aeruginosa.

Keywords: Nanomaterials, Silver nanoparticles, Hydrogels, Thermosensitive materials, Antibacterial activity, Free radical polymerization

 

 

 

 

 

 

 

Indian Journal of Chemistry

Vol. 55A, April 2016, pp. 447-451

 

 

Synergistic interactions in W/O microemulsions containing
imidazolium based C12mimBr and sodium lauryl sulfate

J L Chai*, Y Zhang, N Liu, N Hou, J W Song, J Q Zhang & J J Lu

College of Chemistry, Chemical  Engineering and Materials Science, Shandong Normal University,
Jinan, 250014, PR China

Email: jlchai @sdnu.edu.cn

Received 29 November 2015; accepted 1 April 2016

The physicochemical properties and synergistic effects of W/O microemulsion systems containing imidazolium based surfactant, 1-dodecyl-3-methylimidazolium bromide (C12mimBr)-sodium lauryl sulfate (SLS)/ alcohol/alkane/ 5% NaCl solution at different molar ratios of water-to-surfactant (ω0) are studied. The W/O microemulsions are formed at the molar fractions of SLS-to-C12mimBr+SLS (XSLS) ranges of 0.0-0.3 and 0.7-1.0. The synergism between C12mimBr and SLS can be seen from the values of  (mole fraction of alcohol in the oil phase),  (mole fraction of alcohol in the interfacial layer) and  (the standard free energy change of transferring alcohol from the continuous oil phase to the interfacial layer). The increase in the values of  and , and the decrease in  values with ω0 is attributed to the increasing hydrophilicity of the microemulsions. By increasing the carbon chain lengths of the alcohol molecules, or by increasing the salt concentrations, the values of  and  decrease, whereas that of  increases for the W/O microemulsions containing the mixed surfactants. On the other hand, the effect of the alkane carbon chain lengths is exactly the opposite of the effect of the alcohol carbon chain lengths on the these parameters.

Keywords: Solution chemistry, Synergistic interactions, Microemulsions, W/O microemulsions, Surfactants, Imidazolium surfactants, Sodium lauryl sulfate