The Science and Technological Research Journal (Tamil and English) appears with 6 issues per year and publishes papers in the field of Crystal Growth, Crystallography, Nanomaterials, Thin Films, Energy Materials, Heat and Mass Transfer, Fluid and Solid Mechanics, Semiconductor Nanostructures, Nanophotonics, Optoelectronics, Magnetic Materials, Functional and Smart Materials, Computational Modelling, Bio-Chemistry, Green Chemistry, Biomaterials etc,.

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Latest issue

Green Synthesis of Silver nanoparticles using piper nigrum extract for Dye Sensitized Solar Cell Applications

T. Solaiyammal1, S. Muniyappan1, B.GomathiThanga Keerthana1, K. Perumal1, P. Murugakoothan1*

1MRDL, PG and Research Department of Physics, Pachaiyappa’s College, Chennai 600 030, India

We report a facile green synthesis method for the production of silver nano particles (AgNPs) using the aqueous extract of piper nigrum (commonly known as black pepper) as reducing and capping agent. The as synthesized AgNPs colloid was mixed with titanium dioxide slurry to produce Ag:TiO2nanocomposite. The green synthesized AgNPs and Ag: TiO2nanocomposite were characterized using X-ray diffraction (XRD), Fourier Transmission Infra-Red Spectroscopy (FTIR), UV-vis-NIR spectroscopy, Field Emission Scanning Electron Microscopy (FESEM) with Energy Dispersive Spectroscopy (EDS), Scanning Electron Microscopy with Back Scattered Electron (BSE) and Transmission Electron Microscopy (TEM).

Key words: Green synthesis, Ag:TiO2nanocomposite, X-ray diffraction, Field emission scanning electron microscopy, TEM.

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Structural and optical properties of polyvinyl pyrrolidone (PVP) capped cadmium sulphide (CdS) nanoparticles: Potential entity for optoelectronic device applications

S. Muniyappan, K. Sudhakar, P. Murugakoothan*

MRDL, PG & Research Department of Physics, Pachaiyappa’s College, Chennai-600 030, India

In the present work, we report the synthesis of polyvinyl pyrrolidone (PVP) capped cadmium sulphide (CdS) nanoparticles employing facile chemical precipitation technique in a methanolic medium at room temperature. The powder X-Ray Diffraction (PXRD) confirmed the hexagonal wurtzite structure. The functional groups were confirmed by the Fourier Transform Infrared Spectroscopy (FTIR). The alteration of band gap with size-quantization was investigated by UV reflectance spectroscopy. Luminescent behavior of the CdS nanoparticles was established through photoluminescence analysis. The emission spectrum was analyzed through Commission International de I’Eclairage (CIE) 1931 chromaticity diagram to explore the dominant emission from the CdS nanoparticles. Dynamic light scattering (DLS) analysis gives the hydrodynamic diameter of the CdS nanoparticles.

Key words: Capping agent; Hexagonal wurtzite; Quantum confinement; Photoluminescence; Dynamic light scattering.

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Growth And Characterization With Molecular Modeling Studies Of Benzotriazole Salicylic Acid (Bsa) Single Crystal

P.Sathya, N.Karthikeyan

Department of physics, Anna University, Chennai – 25

Benzotriazole salicylic acid (BSA) single crystal was grown by slow evaporation solution growth method. The grown crystal was confirmed by single crystal X-ray diffraction analysis. The BSA compound crystallises in monoclinic system with space group P21/n which is recognized as centro-symmetric nature. The lattice parameters were obtained as a = 13.80(7) Å, b = 5.41 (1) Å, c = 16.66 (2) Å, α = 90°, β = 102.27 (3) °, γ = 90°, V = 1216 (4) Å3. The vibrational spectroscopy (FT-IR and Raman spectra) of BSA compound has been studied under both theoretically and experimentally. The optimized geometrical parameters of BSA obtained by B3LYP/6-31g(d,p) density functional calculations. The HOMO and LUMO energy values were calculated along with their plot has been presented to understand the charge transfer occurring within the compound. Molecular electrostatic potential (MEP) surface map, hyperpolarisability and dipolemoment were calculated. Number of protons was identifying by 1H NMR spectrum. The material is thermally stable up to 134°C and the compound starts to decompose at 216°C. The biological activities of BSA molecule have also been explored as a best potential inhibitor of Bacillus cereus bacteria. These findings may guide to design new triazole compounds with interesting biological activity.

Key words: Single crystal, X-ray, FTIR

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Carbon Nanotubes based hydrogen storage and characterization

Karthigeyan Annamalaia*, Lathapriya Vellingiria, Ramamurthi Kandasamya, b, Iyakutti Kombiaha, b

aHydrogen Storage materials and Nanosensors Laboratory

bCrystal Growth and Thin Film Laboratory, Department of Physics and Nanotechnology, Faculty of Engineering and Technology, SRM Institute of Science & Technology, Kattankulathur -603203

Hydrogen, a green energy carrier with high energy density as compared to fossil fuels is one of the suitable alternative clean energies. For practical mobile applications, a compact, lightweight and inexpensive hydrogen storage material having fast adsorption and desorption kinetics in near ambient conditions is necessitated. Carbon nanostructure-based materials such as single-walled carbon nanotubes (SWCNTs), multi-walled carbon nanotubes (MWCNTs) and their hybrids are considered as potential candidates for hydrogen storage owing to large surface area, lightweight and stability.CNTs functionalized with SnO2 were prepared by a simple chemical route. Structural, spectral, morphological, thermal and hydrogen storage properties of the product were systematically investigated. The impact of functionalization induced structural and morphological properties on hydrogen adsorption/desorption kinetics gave new insight into developing high capacity storage medium based on carbon nanostructures.

Key words: Hydrogen storage; functionalization; structural and thermal properties

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Growth and Characterization of Guanidinium based Organic and Semi-Organic Single Crystals for Nonlinear Optical Applications

A. Suvitha1, P. Murugakoothan*

1Department of Physics, Anna Adarsh College for Women, Chennai - 600 040, India

*MRDL, PG and Research Department of Physics, Pachaiyappa's College, Chennai - 600 030, India

Guanidinium complexes arebiologically important as they are present as functional groups in aminoacids. Their physical properties, are so important that they have a variety of applications in the field of ferroelectricity, biotechnology medicine etc. The present work deals about the growth and characterization of guanidinium 3-nitrobenzoate (Gu-3NB), guanidiniumphenylarsonate (GPA), zinc guanidinium phosphate (ZGuP) and guanidiniumchlorochromate (GCC). Structural analysis, linear and non-linear optical properties, Laser damage threshold and thermal stability of the grown crystals have been investigated to check their viability for non-linear optical applications.

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I. Md.Zahida, A. Malarkodib, K.S. Joseph Wilsonb, P. Pandic, R. Mohan Kumara*

aDepartment of Physics, Presidency College, Chennai-600005, India

bDepartment of Physics, Arul Anandar College, Madurai-625514, India

cDepartment of Physics, Panimalar Engineering College, Chennai-600123, India

Semi-organic 2-aminopyridinium copper acetate (2-APC) single crystal was grown from aqueous solution by slow evaporation method. Single crystal X-ray diffraction studies confirm that 2-APC crystallizes in monoclinic crystal system with centrosymmetric space group P21/c. Powder X-ray diffraction studies revealed the crystallinity nature of 2-APC crystal. FTIR spectral analysis was used to confirm the presence of functional groups of 2-APC compound. UV-Visible and Photoluminescence optical studies were carried out for the grown 2-APC crystal. The dielectric studies reveal that the grown crystal has low dielectric constant and dielectric loss values at higher frequency region. It indicates that the grown 2-APC crystal possesses good optical quality with lesser defects.

Key words: Crystal growth; X-ray diffraction; Photoluminescence; Electrical studies

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Crystallization, thermal decomposition and dielectric behavior of a third order NLO material: Iminomethanediaminiumtosylate (IMT)

Paavai. Era, RO. MU. Jauhar, P. Murugakoothan*

MRDL, PG and Research Department of Physics, Pachaiyappa’s College, Chennai–600 030

Organic nonlinear optical single crystal of iminomethanediaminiumtosylate was successfully grown from aqueous methanolic medium embracing low temperature solution growth technique at room temperature. The essential properties such as structural, thermal and dielectric behavior of the grown crystal have been investigated.

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Visible light photocatalytic degradation of Textile Azo dyes using Sn doped ZnO nanorods

G. Poongodia,*, R. Rajeswarib

aDepartment of Physics, Quaid-e-Millath Govt. College for Women, Chennai –600 002

bDepartment of Chemistry, Quaid-e-Millath Govt. College for Women, Chennai –600 002

The surface and ground water bodies are grossly polluted as a result of uncontrolled discharges from industries. The effluents from textiles, tanning, pesticides, petrochemical, pharmaceutical, distilleries etc. are highly coloured and contains vast amount of toxic and non-biodegradable pollutants, which are difficult to treat. Particularly, the wastewaters from textile industries are highly coloured and with organics which are difficult to mineralize. Hence, attempt has been made to treat them by using cost effective ZnO nanorods. Here, Sn doped ZnO nanorods were prepared by hydrothermal method. The XRD results revealed that the sample showed a hexagonal wurtzite structure. The result of EDAX revealed that Sn was doped in to ZnO lattices. FESEM image shows that the sample possesses hexagonal rod morphology with an average of 1µm in length and 50 to 100nm in diameter. Optical transmittance of the sample was recorded in the wavelength range of 300–800 nm, and the band gap of the samples was determined. The photocatalytic activity of Sn doped ZnO nanorods were tested with different azo dyes using visible light (365nm) in an annular photoreactor. The results reveal that the decolourisation was complete in 45 minutes whereas the organics were removed at 180 min. Complete mineralisation of organics could be achieved by further optimizing the reactor parameters depending on the industrial requirement.

Key words: Sn doped ZnO, Nanorod, Photocatalytic activity, AZO dyes.

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Micro pores structured α-Mn2O3 and rGO/α-Mn2O3

V. Govindan, S. Dhatchayani, P. Thavamani, K. Sankaranarayanan*

Department of Physics, Alagappa University, Karaikudi-630003, India

A room temperature co-precipitation method has been used for the preparation of cubic MnCO3 particles by mixing the aqueous solutions of Mn2SO4 and Na2CO3 in 1:2 molar ratios. The prepared light brownish MnCO3 particles were dried and post heated at two temperatures 300ºC and 600ºC with an appropriate time intervals. This time variation facilitates the uniform cubic α-Mn2O3 particles. The as synthesized cubic α-Mn2O3 was further investigated by powder X-ray diffraction studies. The as synthesized MnCO3, Mn2O3 and reduced graphene oxide mixed Mn2O3 particles express the rhombohedral and orthorhombic crystal systems. The molecular vibrations of the titled compounds were obtained from FTIR studies. The morphology and microstructures of the synthesized cubic particles were assessed from scanning electron microscopical studies. The elemental composition was obtained from EDAX analysis. The electro chemical performances were assessed by CV measurement; rGO mixed Mn2O3 has higher sweep voltage than pure one. From the AC impedance calibration the rGO composed Mn2O3 has very low Rct value, due to the addition of conducting rGO in to the Mn2O3 matrix. The obtained reduction in resistance and the porous structure may find applications in the field of sensors.

Key Words: MnCO3, Cubic Mn2O3, Co-precipitation method, Electrochemical analysis.

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Exploring the Structural, charge density and molecular docking analysis of Coumarins [2H-1-benzopyran-2-one] molecule via Quantum chemical calculations

P. Srinivasana,*, A. David Stephenb* and G. Rajalakshmic

aDepartment of Physics, Chikkaiah Naicker College, Erode, Tamilnadu, India

bDepartment of Physics, Sri Shakthi Institute of Engineering and Technology, Coimbatore, Tamilnadu, India

cDepartment of Physics, Sri Vijay Vidyalaya college of arts and Science, Dharmapuri, Tamilnadu, India

The Coumarin [2H-1-benzopyran-2-one] is used for antibacterial, antioxidant and anticancer agents. The docking analysis was carried out from Coumarin [2H-1-benzopyran-2-one] with cytochromeP450. The optimized geometry and charge density analysis of 2H-1-benzopyran-2-one molecule were obtained from the DFT methods with 6-311G** basis set. Further, a molecular docking analysis has been carried out to understand the conformational change and electrostatic properties of 2H-1-benzopyran-2-one in the active site of cytochromeP450 Receptor. MEP (Molecular Electrostatic Potential) is very useful investigation of the charge distributions of Coumarin [2H-1-benzopyran-2-one] molecule.

Keywords: DFT, Docking studies, Charge density, Dipole moment and ESP

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Investigation on synthesis, growth and physical characterization of CdGa2Se4 single crystal by modified vertical Bridgman method

P. Vijayakumar*, M. Magesh, P. Ramasamy

Centre for Crystal Growth, Dept. of Physics, SSN College of Engineering, Kalavakkam-603110, Tamilnadu, India

CdGa2Se4 polycrystalline material was synthesized by meltoscillation method. Good quality CdGa2Se4 single crystal was grown by modified vertical Bridgman method. The crystalline phase and growth orientation were confirmed by powder X-ray diffraction pattern and unit cell parameters were confirmed by single crystal X-ray diffraction analysis.The stoichiometric compositions of CdGa2Se4 were measured using energy dispersive spectrometry (EDS). The structural uniformity of CdGa2Se4 was studied using Raman scattering spectroscopy at room temperature. The transmission spectrum of CdGa2Se4single crystal was achieved in the near IR region andthe absorption edge of the material is near 680 nm.The calculated optical band gap is 1.8 eV. Thermal property of CdGa2Se4 has been studied using differential thermal analysis (DTA).Thermal diffusivity, specific heat capacity and thermal conductivity were measured. Electrical property was measured using Hall Effect measurement and it confirms the n-type semiconducting nature. Photoconductivity measurements with different temperatures have confirmed the positive photoconducting behavior.

Keywords: A1. Characterization, A2. Growth from melt, B1. Inorganic compounds, B2. Nonlinear optic materials, B2.Semiconducting indiumcompounds

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Environmental Friendly Novel Synthesis Route for CdS Quantum Dots

V.P. Devarajan1,2,*, D. Nataraj2, P. Periasamy3, K. Vidhya4, T. Pazhanivel2,5, Y.A. Syed Khadar1

1Department of Physics, KSR College of Arts & Science for Women, Tiruchengode, Namakkal – 637 215, Tamilnadu, India

2Thin Films & Nanomaterials Laboratory, Department of Physics, Bharathiar University, Coimbatore – 641 046, Tamilnadu

3Department of Physics, Excel college of Engineering and Technology, Kumarapalayam, Namakkal – 637 303, Tamilnadu, India

4Department of Physics, Sri Sarada College for Women, Salem – 636 016, Tamilnadu, India

5Department of Physics, Periyar University, Salem – 636 011, Tamilnadu, India

In the present work, we have made an attempt to prepare the CdS QDs using novel simple chemical route under room temperature such as uncapped and polymer capped CdS QDs. Further their structural and optical properties were investigated through XRD, TEM, FTIR, UV-VIS and PL techniques. From the XRD analysis, a cubic-hexagonal crystal structure was observed. From the HRTEM analysis, a well grown spherical shaped surface morphology was observed with their sizes 3-5 nm. From the FTIR analysis, the interaction between L-cysteine and CdS QD were confirmed. From the UV analysis, an enhanced absorption nature was observed due to the quantum confinement effect. From the PL analysis, a blue-shifted emission behavior was observed due to the small-sized particles. Hence, the prepared CdS QDs are suitable for opto-electronic as well as bio-imaging applications. Hence, their observed interesting results are discussed in detail.

Keywords: CdS, Fluorescent quantum dots, Environmental friendly route

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Investigations on the supramolecular assemblies of pyridine based organic crystals for nonlinear optical applications

RO. MU. Jauhar, P. Murugakoothan*

MRDL, PG and Research Department of Physics, Pachaiyappa’s College, Chennai – 600 030

Present work aims at the crystal growth and characterization of 2-amino 4, 6 dimethoxypyrimidine p-toluenesulfonic acid monohydrate (2ADPTS), 2, 6 diaminopyridiniumtosylate (2,6DPT), isonicotinamidium picrate (ISPA) and 2-aminopyridinium diphenylacetatediphenylacetic acid (2APD) by slow evaporation solution technique (SEST). The essential properties, such as structural, linear and nonlinear optical, thermal and laser damage threshold of the grown crystals have been investigated.

Keywords: Crystal, NLO, HRXRD, FTIR

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Functions and Therapeutic Applications of Venom Proteins

Christian Bharathi*, Syed Ibrahim

Centre for Bioinformatics, Pondicherry University - 605014

Venomous animals are a serious threat to the life of victims both animal and human and 1.45 million people around the world are affected by snake bite. As per the report of Kasturiratne et al. 2008, annually 20,000-94,000 deaths are recorded globally and the main reason is untreated (especially in poor countries) due to expensive of antivenoms and the limitation and complication of the drugs. Targeting the toxins which cause the serious or immediate death can be neutralized by new effective drugs thus can save the victims and large scale production can lead to the easy available to all people. On the other hand, understanding the biochemical property of venom will help us to treat the envenomation, as well as some specific functional toxin molecule with protein engineering, can be developed as a lifesaving drug. This article gives a glimpse of the venom proteins and their functional properties and the list of drugs approved from animal toxins. The overall study focused on the functional specificity of the venom proteins, molecular evolution with their biological importance which can be targeted for treatment and developing drugs from the proteins.

Keywords: Hyaluronidase, Myotoxin, Blood Coagulation, Fibrinolysis and Cancer Growth

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