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• Open Access   Article

  Correlative Analysis of Long Term Cosmic Ray Variation in Relation with Interplanetary Magnetic Field

  Sarver A. Khan, A. K.Saxena, C.M. Tiwari

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.66-70, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.6670

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  In this paper we have performed the relationship between cosmic ray intensity (CRI) and Interplanetary Magnetic field (B) for the period 1976 to 2018. For this we have taken the data of Cosmic Ray Intensity (CRI) from various Neutron Monitor Stations, which are well maintained stations and provide reliable Cosmic Ray Data. Here we have taken the monthly and annual mean value of Cosmic Ray Intensity (CRI) from the Moscow (2.42GV), Russia Neutron Monitor Station. It has been found that Interplanetary Magnetic field (B) shows anti-phase with Cosmic Ray Intensity (CRI). It is found that Interplanetary Magnetic Field (IMF-B) shows decreasing trend with CRI and also shows negative correlation. Also we have taken interplanetary magnetic field (B), sunspot number (SSN) and A_p index from omni web.

  Key-Words / Index Term
  Cosmic Ray Intensity (CRI), Interplanetary Magnetic Field (IMF-B). Sunspot number (SSN), A_p index

  References
  [1]. Hess, V.F.: Phys. Z. 13, 1084(1912).
  [2]. Hillas, Y.A.M.: Cosmic Rays. Pergamon Press, Oxford/New York (1972)
  [3]. Gaisser, T.K.: Cosmic Rays and Particle Physics. Cambridge University Press, Cambridge (1990)
  [4]. Kohlhorster, W.: Phys. Z. 14, 1153(1913)
  [5]. Longair, M.S.: Particles, Photons and their detection. In: High Energy Astrophysics, 2nd edn. Vol.1. Cambridge University Press, Cambridge (1992)
  [6]. Millikan, R.A., Bowen, I.S.: The Physical Review, Published as second series 27, 4(1926)
  [7]. Rossi, B.: Cosmic Rays, Chap.1, P.1. McGraw-Hill, New York (1964)
  [8]. Agrawal, S.P. Shrivastava, P.K., Shukla, R.P.(1993): Time depending solar cycle, Cosmic ray modulation of 23rd neutron monitor energies. Proc, 23 Int. Cosmic Ray Conf., 3, 590.
  [9]. Mavromichalaki, H., Marmatsouri, E., Vassilaki, A. (1988): Solar cycle phenomena in Cosmic ray intensity; Differences between even and odd cycles. Earth, Moon Planets, 42, 233-244.
  [10]. Forbush, S.E. 1937, Phys. Rev. 51, 1108
  [11]. Forbush, S. E. 1938, Phys. Rev., 54, 975
  [12]. Forbush, S. E. (1958): Cosmic ray intensity variations during two solar cycles. J. Geophys Res., 63, 651.
  [13]. Moraal, H. (1976): Observation of the eleven year cosmic ray Modulation cycle. Space Sci. Rev., 19, 845-920.
  [14]. Rao, U. R. (1972): Solar modulation of galactic cosmic radiation. Space Sci. Rev., 12, 719-809.
  [15]. Biber, Pomerantz, Taso. (1983): C. M. Proc. 18th Int. Cos. Ray Conf., (Bangalore), 8, 289
  [16]. King, J. H. (1979): Solar cycle variations in IMF intensity. J. Geophys. Res., 84, 5938-5940.
  [17]. Singh, S. G., Saxena, A. K., Singh, R. P., and Singh, Y. K. (2013): Correlative study of solar wind streams velocity and cosmic ray intensity variations during 2002-2007. Int. J. Sci. Env.Tech., 2, 56.
  [18]. M.S. Potgieter, “The modulation of galactic cosmic rays in the heliosphere: theory and Models,” Space Science Reviews, vol. 83, no. 1-2, pp. 147–158, 1998.
  [19]. K. Sakurai: Nature 296 (1977) 401.
  [20]. Kunitomo Sakurai, Makoto Hareyama, Satoshi Kodaira and Nobuyuki Hasebe J. Phys. Soc. Jpn. Full J. Phys. Soc. Jpn. 78 (2009), Supplement A K. Sakurai et al. 11.
  [21]. Forbush, S.E. 1954, J. Geophys. Res., 59,525
  [22]. Forbush, S.E., 1958, J. Geophys. Res., 63, 651
  [23]. S.singh, A.P. Mishra (2015) “interaction of solar plasma near earth with reference to geomagnetic storms during maxima of solar cycle 24” doi. 1007/S12648-015-0703-Y.
  

  Citation
  Sarver A. Khan, A. K.Saxena, C.M. Tiwari, "Correlative Analysis of Long Term Cosmic Ray Variation in Relation with Interplanetary Magnetic Field," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.66-70, 2019

• Open Access   Article

  Green synthesis of MgFe2O4 nanoparticles using Albumen as Fuel and their Physico-Chemical Properties

  P. Aji Udhaya, M.Meena, M. Abila Jeba Queen

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.71-74, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.7174

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  This research article reports the green synthesis of magnesium ferrite nanoparticle via auto-combustion using albumen as fuel. The synthesized nanoparticles are confirmed to process single phase and spinel structure with the help of powder X - ray diffraction (PXRD) and Fourier Transform Infrared Spectroscopy (FTIR). Which also determines the functional groups present in the nanoparticles. EDAX results provide the percentage composition of the elements in the synthesized sample. The Field Emission Scanning Microscope (FESEM) reveals the agglomerated nature of ferrite nanoparticles. Magnetic moment and retentivity were obtained using Vibrating Sample Magnetometer (VSM). Dielectric properties of the as prepared samples were measured by two-probe method for various frequencies ranging from 100Hz-1MHz.

  Key-Words / Index Term
  ferrites; albumen; PXRD; FTIR; FESEM; VSM; dielectric; retentivity; coercivity

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  Citation
  P. Aji Udhaya, M.Meena, M. Abila Jeba Queen, "Green synthesis of MgFe2O4 nanoparticles using Albumen as Fuel and their Physico-Chemical Properties," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.71-74, 2019

• Open Access   Article

  Dielectric response of sandstones of Rajasthan in the frequency range 200 MHz-20 GHz

  K. Dhoot, Mukesh Vyas, D.H. Gadani and Tanmay Pandit

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.75-84, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.7584

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  Dielectric response (ε`, ε``) of nine different dry and water saturated sandstone samples of Rajasthan were measured in the frequency range 200MHz-20GHz. Result has been presented in the form of variation with frequency which showed characteristics features. The change observed in dielectric characteristic with water saturated sample is interpreted as existence of water molecules in free space of sandstones samples. The mechanisms that influence the dielectric values of sandstone are strongly dependent on the frequency of electromagnetic field. The ac conductivity, bulk density and porosity were also measured for dry and water saturated sandstone samples.

  Key-Words / Index Term
  dielectric constant, ac conductivity, sandstone, frequency, water saturated

  References
  [1] A. Robert, “Dielectric permittivity of concrete between 50 MHz and 1 GHz and GPR measurements for building materials evaluation”, J. Appl. Geophys., Vol.40, pp. 89-94,1998.
  [2] G. A. McMechan, R.G. Loucks, X. Zeng and P. Mescher, “Ground penetrating radar imaging of a collapsed paleocave system in the Ellenburger dolomite, central Texas”, J. Appl. Geophys, Vol. 39,pp.1-10,1998.
  [3] A. Martinez and A.P. Byrnes, “ Modeling dielectric-constant values of geologic materials: An aid to ground-penetrating radar data collection and interpretation”, Current Research in Earth Sciences, Kansas Geological Survey, Bulleting 247, part 1, pp. 1-16, 2001.
  [4] F.T. Ulaby, T.H.Bengal, M.C.Dobson, J.R.East, J.B.Garvin and D.L. Evans, "Microwave dielectric properties of dry rocks ", IEEE Trans Geosci. Remote sensing Vol. 28, Issue.3, pp. 325-336, 1990.
  [5] B. Cervelle and X .Jin-Kai . “Dielectric properties of minerals and rocks; Applications to microwave remote sensing,” in A. S. Marfunin, ed, Advanced mineralogy 1: Springer -Verlage Berlin, 1994.
  [6] D.J.Daniels,Surface -penetration radar: IEE Radar , Sonar, Navigation and Avionics series 6 : Institute of Electrical Engineers. 1996.
  [7] Z.C. Alex and J. Behari, Indian J Pure & Appl Phys, Vol. 34, pp. 319-332, 1996.
  [8] A. Ghosh, J. Behari and S. Pyne, “Dielectric parameters of dry and wet soils at 14.89 GHz”, Indian J Radio & Space Phys, Vol. 27 pp. 130-134, 1998.
  [9] O. P. N Calla, M. C. Bora, P.Vashishtha, R. Mishra, A. Bhattacharya and S. P. Purohit, “Study of the properties of dry and wet loamy sand soil at microwave frequencies”, Indian J. of Radio and Space Physics, vol. 28 pp.109-112, 1999.
  [10] D.P. Lesmes and F.D. Morgan, “Dielectric spectroscopy of sedimentary rocks”, J. Geophys. Res., Vol.106, pp. 13329-13346, 2001.
  [11] J. Behari, “ Microwave Measurement Techniques and Applications”, Anamaya Publishers, New Delhi, 2003.
  [12] O. P. N Calla, D. Bohra, S. k .Agarwalla, S. Gosh, C. Bohra , and R. Vyas, “ Comparison of emissivity and scattering coefficient of two samples of Aravali rocks and dry soils of Rajasthan at frequencies of X-band” , Indian J. Radio and Space Physics,Vol.36, pp.65-71,2007.
  [13] A. A. Poinzovsky, S. M. Chudinova and Y.A. “Pachepksy, Performance of TDR calibration models as affected by cement paste” J. Hydrology, Vol. 218, pp.35-43, 1999.
  [14] S.Kumar,R.Amalanathan, “Dielectric Relaxation Studies of Triethanolamine with 2-Alkoxyethanol using time Domain Reflectometry Technique, “International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.1, pp.18-34, 2019,
  [15] Daosheng Ling, Yun Zhao, Yunlong Wang, and Bo Huang, “Study on Relationship between Dielectric Constant and Water Content of Rock-Soil Mixture by Time Domain Reflectometry” Hindawi Publishing Corporation Journal of Sensors , pp. 1-10, 2016.
  [16] R.J. Sengwa, A. Soni, B. Ram, “Dielectric behaviour of shale and calcareous sandstone of Jodhpur region”, Indian J. Radio and Space Physics, Vol. 33, pp.329-335, 2004.
  [17] R.J. Sengwa, A.Soni," Dielectric dispersion and microwave dielectric study of marble in support of radar investigations", Indian Journal of pure & Applied Physics, Vol.43, pp. 777-782, 2005.
  [18] R.J.Sengwa, S.Sankhla, A.Soni, and B.Ram,“Dielectric Characterization of Dry and Water-Saturated Sandstones”, Proc Indian Natn Sci Acad. Vol.73 issue 3, pp.147-155, 2007.
  [19] Josann L., RosnNnorz and Duornv T. Surrn, “The dielectric constant of mineral powders” The American Mineralogist, Vol. 83, pp.115-120, 1932.
  [20] Singh R. and Singh K.P., “Microwave measurements on some Indian coal samples.” Applied Physics section, Institute of Technology, Banaras Hindu University Vol. 45, pp. 397-405, 1979.
  [21] Singh Rameh, Singh Mahendra P. and Tarksewar Lal,"Laboratory measurement of dielectric constant and loss tangent of Indian rock samples", Annals of Geophysics Vol. 33,pp.121-140, 1980.
  [22] R. Singh, Ramesh P. Singh and K P Singh, “Study of microwave response of coal and sandstone samples”, Indian Acad. Sci. (Earth Planet. Sei.), Vol. 89, pp. 249-2 59,1980
  [23] B. Patil Chhaya and P.R. Chaudhari , “Dielectric Constant and Emissivity of Rock Samples at Microwave Frequencies”, International Journal of Innovative Research in Science, Engineering and Technology Vol. 5, pp.16267-16272, 2016.
  [24] C. A Dias, “Developments in model to describe low-frequency electric polarization of rocks”, Geophysics, Vol. 65 issue 2, pp. 437-451, 2000.
  [25] K.K. Kumar and L. Sirdeshmukh, “ Dielectric properties and electrical conductivity studies on some minerals”, Indian J. Pure Appl. Phys. Vol. 34, pp.559-565, 1996.
  [26] K. Dhoot , M. Vyas , A. D. Vyas , V. A.Rana , D. H. Gadani and T. Pandit, “Dielectric study of dry and wet granite stones at microwave frequency.” International Journal of Scientific Research and Reviews, Vol. 7 issue1 Suppl., 310-320,2018.
  

  Citation
  K. Dhoot, Mukesh Vyas, D.H. Gadani and Tanmay Pandit, "Dielectric response of sandstones of Rajasthan in the frequency range 200 MHz-20 GHz," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.75-84, 2019

• Open Access   Article

  Shape coexistence in near Magic shell nucleus 52Cr

  Rajesh Kumar

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.85-88, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.8588

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  The fp-shell nucleus 52Cr is an even-even nuclei near magic number is with closed neutron shell is at N = 28. It was found that coexistence between spherical and deformed shapes can take place rather predominantly in and near semi-magic or doubly magic nuclei. So this nucleus may provide a valuable insight is into the interplay between single-particle and collective modes of excitation. High-spin states in 52Cr have been studied using 27Al (28Si, 3p) 52Cr fusion evaporation reaction at beam energy of 70 MeV. The level scheme of 52Cr has been extended up to Ex ~ 10 MeV. Spins and parities have been assigned to many of the new levels on the basis of the directional correlations and linear polarization measurements using clover detectors. The band structures are discussed in the framework of cranked Woods-Saxon and microscopic projected deformed Hartree-Fock (HF) models. The prolate-oblate shape coexistence is proposed in 52Cr nucleus.

  Key-Words / Index Term
  γ-γ coincidence, spin-parity, fusion evaporation reaction, Electromagnetic transitions, γ-transitions and level energy, shape-coexistence

  References
  [1] W. Kutschera, B. A. Brown, and K. Ogawa, Riv. Nuovo Cimento 1, 12 (1978).
  [2] A. Poves and A. Zuker, Phys. Rep. 70, 235 (1981).
  [3] R. B. Mooy and P. M. W. Glaudemans, Z. Phys. A312, 59 (1983).
  [4] S. M. Lenzi, D. R. Napoli, A. Gadea, M. A. Cardona, D. Hojman, M. A. Nagarajan, C. Rossi Alvarez, N. H. Medina, G. de Angelis, D. Bazzacco, M. E. Debray, M. De Poli, S. Lunardi, D. de Acuna, Z. Phys. A354, 117 (1996).
  
  [5] J. A. Cameron, J. Jonkman, C. E. Svensson, M. Gupta, G. Hackman, D. Hyde, S. M. Mullins, J. L. Rodriguez, J. C. Waddington, A. Galindo-Uribarri, H. R. And rews, G. C. Ball, V. P. Janzen, D. C. Radford, D. Ward, T. E. Drake, et al., Phys. Lett. B387, 266 (1996).
  [6] E. Caurier, J. L. Egido, G. Martinez-Pinedo, A. Poves, J. Retamosa, L. M. Robledo, et al., Phys. Rev. Lett. 75, 2466 (1995).
  [7] G. Martinez-Pinedo, A. Poves, L. M. Robledo, E. Caurier, F. Nowacki, J. Retamosa, and A. Zuker, Phys. Rev. C54, R2150 (1996).
  [8] S. M. Lenzi, C. A. Ur, D. R. Napoli, M. A. Nagarajan, D. Bazzaco, D. M. Brink,
  [9] K. Lips and M. T. McEllistrem, Phys. Rev. C1, 1009 (1970).
  [10] I. P. Johnstone and H. G. Benson, J. Phys. G3, L69 (1977).
  [11] A. Yokoyama, T. Oda, and H. Horie, Prog. theor. Phys. 60, 427 (1978).
  [12] I. P. Johnstone, Phys. Rev. C17, 1428 (1978).
  [13] S. W. Sprague, R. G. Arns et al., Phys. Rev. C4, 2074 (1971).
  [14] A. Berinde et al., Nucl. Phys. A284, 65 (1977).
  [15] D. Evers, A. Harasim, R. L. McGrath, and W. Assmann, Phys. Rev. C63, 1690 (1977).
  [16] P. Banerjee, B. Sethi, J. M. Chatterjee et al., Phys. Rev. C36, 2274 (1987).
  [17] G. Ripka, Advances in Nuclear Physics,Vol. 1 (1966) Ed.M.Baranger and .Vogt (Plenum).
  [18] P. Ring and P. Schuck, The Nuclear Many Body Problems (Springer-Verlag, Berlin, 1980), p. 244.
  [19] W. Nazarewicz, M. A. Riley, and J. D. Garrett, Nucl. Phys. A512, 61 (1990).
  [20] R. Ernst et al., Phys. Rev. Lett. 84, 416 (2000).
  [21] C. W. Towsley et al., Nucl. Phys. A250, 381 (1975).
  

  Citation
  Rajesh Kumar, "Shape coexistence in near Magic shell nucleus 52Cr," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.85-88, 2019

• Open Access   Article

  Improved electromagnetic properties of Vanadium doped Ni- Zn ferrite for high frequency Applications

  V. Lakshminarayana, K. Chandramouli, G. S. N. Rao

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.89-92, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.8992

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  A series of samples with the composition Ni0.65 Zn0.35 Fe2 O4 + x V2 O5 (x = 0.0 to 1.5 wt % in steps of 0.3 wt %) have been prepared by double sintered ceramic method. They are calcined for four hours at 900o C and sintering temperature is maintained at 12100c at for 4 hours in air atmosphere. The samples are characterized by X-ray diffraction, Saturation magnetization and Curie temperature. Both the saturation magnetization and Curie temperature have been observed to decrease slightly with increasing concentration of the vanadium. An increasing trend in D.C. resistivity is observed in vanadium series up to x = 0.6 wt%. The µi is decreased slightly for lower concentrations and steeply for higher concentration. Higher resistivity and near stable magnetic properties are exhibited with vanadium concentration x = 0.6 wt%. Dissolution of Vanadium into ferrite lattice for minor additions is responsible for the modifications in the electrical and magnetic properties.

  Key-Words / Index Term
  Curie temperature, d.c resistivity, ferrites, saturation magnetization

  References
  [1] Verma, A. and Dube, D. C., “Processing of Nickel–Zinc Ferrites via the Citrate Precursor Route for High-Frequency Applications”, Journal of the American Ceramic Society, Vol 88, pp 519–523, 2005,doi:10.1111/j.1551-2916.2005.00098.x
  [2] E.Rezlescu’ L.Sachelarie, et al,” Effect of substitutions of divalent ions on the electrical and magnetic properties Ni-Zn-Me ferrite”, IEEE Transactions on Magnetics, vol 36 (6), pp 3962-3967, 2000. doi: 10.1109/20.914348
  [3] JunHu, Gang Shi, Zheming Ni, Li Zheng, AiminChen, “Effects of V2O5 addition on NiZn ferrite synthesized using two-step sintering process”, Physics B: Condensed Matter 2012, vol407 (12), pp2205-2210, doi: 10.1016/j.physb.2012.02.042
  [4] M.Kaiser, “Influence of V2O5 ion addition on the conductivity and grain growth of Ni–Zn–Cu ferrites”, Current Applied Physics, 2010 ,vol 10(4), pp 975-984, doi:10.1016/j.cap.2009.12.042
  [5] Heiba, Z.K., Mohamed, M.B., et al.”Effect of vanadium doping on structural and magnetic properties of defective nano-nickel ferrite”, Appl. Phys. A 2018, 124: 290, doi: 10.1007/s00339-018-1721-3 9
  [6]M. Ramesh, et al, “Cation Distribution of Ni-Cu substituted Li-ferrites”, Ceramic International, 2015, vol 41(1) Part B, 1765-1770 . doi:10.1016/j.ceramint.2014.09.1229
  [6] Kwang Pyo Chae,Woo Hyun Kwon, et al, “Crystallographic and Magnetic Properties of Vanadium-substituted Li-Co-Ti Ferrite”, Journal of the Korean Physical Society, 2010, vol 56, pp 1838∼1842, doi :10.3938/jkps.56.1838
  [7] P.N.Anantharamaiah, P.A.Joy, “Effect of co-substitution of Co2+and V5+for Fe3+on the magnetic properties of CoFe2O4”, Physics B: Condensed Matter, 2019, 554(1), 107-113, doi:10.1016/j.physb.2018.11.031
  [8] Richard Lebourgeois, et al, “Influence of V2O5 on the magnetic properties of nickel-Zinc Copper ferrite”, J. Magnetism and .Magnetic materials, 2007, 312(2) 328-330, doi: 10.1016/j.jmmm.2006.10.698
  [9] M.Kaiser, “Magnetic and dielectric properties of low vanadium doped nickel-zinc-copper ferrite”, Journal of Physics and chemistry of solids,2010, 71(10) 1451-57, doi: 10.1016/j.jpcs.2010.07.011
  [10] F.K.Lotgering A.M .VanDiepen, “Electron exchange between Fe2+and Fe3+ ions on octahedral sites in spinels studied by means of paramagnetic Mössbauer spectra and susceptibility measurements”, Journal of Physics and Chemistry of solids, 1977, vol 38(6), 565-572, doi:10.1016/0022-3697(77)90221-9
  [11] Narayan, R., Tripathi, R.B., Das, B.K. et al., “Effect of pentavalent addition to Ni Zn Ferrites”, J Mater Sci, 1983, 18:1934. Doi: 10.1007/BF00554985. V.
  

  Citation
  V. Lakshminarayana, K. Chandramouli, G. S. N. Rao, "Improved electromagnetic properties of Vanadium doped Ni- Zn ferrite for high frequency Applications," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.89-92, 2019

• Open Access   Article

  Effect of defect density in different layers and ambient temperature of n-i-p a-Si single junction solar cells performance

  Shalini Dubey, Arpit Swarup Mathur, Nidhi, BP Singh

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.93-98, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.9398

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  In this paper simulation study of optimized n-i-p a-si single junction solar cell which having defect density in different layers. From the simulation result, it was found that the conversion efficiency is affected due to the presence of defect density in different layers. The maximum conversion efficiency is found 24.74% and 22.94% at without defect density at 0ºC and 30ºC respectively, while the conversion efficiency become zero in p-type front layer in 1022 cm-3 defect density and 11.35% in i-type absorber layer in 10-21 cm-3 defect density. It is clear that the quality of absorber layer and front layer is the key factor in cell performance or efficiency improvement. These results are consistence with the fact that n-i-p a-Si single junction solar cell with the higher defect densities and dislocation exhibits a lower efficiency of the cell.

  Key-Words / Index Term
  a-Si single-junction, defect density, conversion efficiency, SCAPS, BSF

  References
  [1] R. C. Chittick, J. H. Alexander, and H. F. Sterling, “The preparation and properties of amorphous silicon,” Journal of the Electrochemical Society, vol. 116 No. 1, pp. 77–81, 1969.
  [2] S. Zhong, X. Hua, and W. Shen, Simulation of High-Efficiency Crystalline Silicon Solar Cells With Homo–Hetero Junctions, IEEE Transactions on Electron devices, vol. 60 No. 7, p.p. 2104, july 2013.
  [3] A. Fell, K. R. McIntosh, P. P. Altermatt, G. J. M. Janssen, R. Stangl, A. Ho-Baillie, H. Steinkemper, J. Greulich, M. M¨uller, B. Min, K. C. Fong, M. Hermle, I. G. Romijn, and M. D. Abbott, Input Parameters for the Simulation of Silicon Solar Cells in 2014, IEEE journal of photovoltaics, vol.5, No.4, p.p. 1250, july 2015.
  [4] S. Sepeai, S.H.Zaidi, M.K.M.Desa, M.Y.Sulaiman, N.A.Ludin, M.A. Ibrahim, K.Sopian, Design Optimization of Bifacial Solar Cell by PC1D Simulation, Journal of Energy Technologies and Policy, vol.3, No.5, p.p. 1-11, 2013.
  [5] H. Singh, V. Kumar, Effect of Ni doping on the photovoltaic conversion efficiency of ZnO nanostructured dye sensitized solar cells, International Journal of Scientific Research in Physics and Applied Science, vol. 6, No. 3, pp. 50-54, 2018.
  [6] T. H. Talukdar; R. Siddique; M. Hasan, Study of Single Junction Solar Cell Characteristics Varying Different Parameters, 2nd Int`l Conf. on Electrical Engineering and Information & Communication Technology (ICEEICT) 2015 Jahangir nagar University, Dhaka-I 342, Bangladesh, 21-23 May 2015.
  [7] M. Burgelman, P. Nollet and S. Degrave, "Modeling of polycrystalline semi conductor solar cells", Thin Solid Films, vol. 361, No.362, pp.527-532, 2000.
  [8] A. Niemegeers and M. Burgelman, “Numerical modeling of ac-characteristics of CdTe and CIS solar cells”, 25th IEEE Photovoltaic specialist Conference Washington DC 1996, pp. 901-904,1996.
  [9] M. A. Green, “General temperature dependence of solar cell performance and implications for device modeling” Prog Photovoltiac,vol.11, No.5,pp.333-340, 2003.
  [10] P.Štulik and J. Singh, A simple method to simulate the influence of defect on the short circuit current in amorphous silicon solar cells, J. Non-Crysta Solids, vol.226,No.3 pp.299-303,1998.
  [11] H. Taniguchi, M.Konagai, K. S. Lim, P. Sichanugrist, K. Komori and K. Takahashi, Junction Properties of n-i-p and p-i-n Amorphous Si Solar Cells Prepared by a Glow Discharge in Pure Silane, Japanese J Appl Phys,vol. 21,pp.219-224,1982.
  [12] H. Arai, M. Ishii, H. Shinohara, and S. Yamazaki, A Single p-i-n Junction Amorphous-Silicon Solar Cell with Conversion Efficiency of 12.65%, IEEE Electron Device Letters,vol.12 No.8, 1991.
  [13] T. Itoh, K. Fukunaga, Y. Katoh, T. Fujiwara, and S. Nonomura, “Doping of a-SiCX:H films including μc-Si:H by hot-wire CVD and their application as a wide gap window for heterojunction solar cells,” Solar Energy Materials and Solar Cells, vol. 74No.1–4,pp.379–385, 2002.
  [14] J. Verma, P. Dey, A. Prajapati, T. D. Das, Multi BSF Layer InGaP/GaAs High Efficiency Solar Cell, 2017 11th International Conference on Intelligent Systems and Control (ISCO),2017.
  [15] S. Y. Myong, S. S. Kim, and K. S. Lim, “Improvement of p-i-n-type Amorphous Silicon Solar Cell Performance by Employing Double Silicon-carbide Player Structure”J. Appl. Phys. vol. 95, pp.1525-1531, 2004.
  [16] A. Defresne, O. Plantevin , I. P. Sobkowicz, J. Bourçois, P. Roca iCabarrocas, “Interface defects in a-Si:H/c-Si heterojunction solar cells”, Nuclear Instruments and Methods in Physics Research B, vol. 365, part-A, pp. 133-136, 2015.
  [17] W. Ma, S. Aoyama, H. Okamoto, and Y. Hamakawa, “A study of interface properties in a-Si solar cells with μc-Si(C)” Sol. Energy Mater. Sol. Cells, vol. 41, pp. 453-457, 1996.
  [18] N.Palit and P. Chatterjee, “Computer analysis of a-Si:Ha-Si:H p-i-n solar cells with a hydrogenated microcrystalline silicon p layer, J Appl. Phys., vol. 86, pp. 6879-6885, 1999.
  [19] T. Walter, R. Herberholz, C. Muller, and H. W. Schock, “Determination of defect distributions from admittance measurements and application to Cu(In,Ga)Se2 based heterojunctions J. Appl. Phys., vol. 80, pp.441-448, 1996.
  [20] K. Decock, S. Khelifi, M. Burgelman, “Modelling multivalent defects in thin film solar cells”, Thin Solid Films, vol.519, pp.7481–7484, 2011.
  

  Citation
  Shalini Dubey, Arpit Swarup Mathur, Nidhi, BP Singh, "Effect of defect density in different layers and ambient temperature of n-i-p a-Si single junction solar cells performance," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.93-98, 2019

• Open Access   Article

  Effect of Annealing Temperature on Structural and Optical properties of Mn doped SnO2 Thin Films Prepared by Sol-Gel Technique

  Sunaina, Parikshit Sharma and Prianka Sharma

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.99-107, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.99107

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  Abstract
  Mn doped SnO2 thin films were prepared by sol-gel dip coating technique. The deposited films on glass substrate were annealed at 300oC, 400oC and 500oC. The effect of annealing temperature on the structure and optical properties of the Mn-SnO2 thin films have been studied by X-ray diffraction and UV-Vis spectrophotometry. X-ray diffraction studies shows the tetragonal rutile structure of SnO2 with no additional phases of SnO2. Various parameters like crystallite size, lattice constants, dislocation density and microstrain have been calculated and found to vary with annealing temperature. The optical transmission spectra shows a red shift in the position of absorption edge towards higher wavelength for Mn- doped thin films but as the annealing temperature increases, the absorption edge shifts toward lower wavelengths. The optical constants and the optical parameters were determined by the spectral transmittance data.

  Key-Words / Index Term
  Diluted Magnetic Semiconductors, Mn-SnO2 thin films, Sol-Gel Dip Coating method, Annealing Temperature, Band Gap, Urbach’s Energy

  References
  [1]. T.A. Dar, A. Agrawal, P. Sen, “Role of Ni Doping on structural, Electronic and Transport Properties of ZnO Thin Films”, International Journal of Scientific Research in Physics and Applied Sciences. Vol. 3, pp 2348-3423, 2015.
  [2]. S.J. Pearton, W.H. Heo, M. Ivill, D.P. Norton, T. Steiner, “Dilute Magnetic Semiconducting Oxides”, Semicond.Sci. Technol. Vol. 19, No. 59, 2004.
  [3]. Y. Xu, Y. Tang, C. Li, G. Cao, W.Ren, H.Xu, Z. Ren, “Synthesis and Room-Temperature Ferromagnetic Properties of Single-Crystalline Co-doped SnO2 Nanocrystals Via a High Magnetic Field”, J. Alloys Compd. Vol. 481, pp 837-840, 2009.
  [4]. S. SujathaLekshmy, G.P. Daniel, K. Joy, “Microstructure and Physical Properties of Sol-Gel Derived SnO2: Sb Thin films for Optoelectronic Applications”, Appl. Surf. Sci. Vol. 274, pp 95-100, 2013.
  [5]. S. SujathaLekshmy, K. Joy, “SnO2 Thin Films Doped with Indium Prepared by Sol-Gel Method: Structure, Electrical and Photolumininescence Properties”, J. Sol-Gel Sci. Technol. Vol. 67, pp 29-38, 2013.
  [6]. S. SujathaLekshmy, L.V. Maneeshya, P.V. Thomas, K. Joy, “Intense UV Photolumininescence Emission at Room Temperature in SnO2 Thin Films”, Indial J. Phys. Vol. 87, pp 33-38, 2013.
  [7]. C. Drake, S. Seal, “Band Gap Energy Modifications Observed in Trivalent In Substituted Crystalline SnO2”, Appl. Phys. Lett. Vol. 90, No. 233117, 2007.
  [8]. C. Kilic, A. Zunger, “Origins of Coexistence of Conducting and Transparency in SnO2”, Phys. Rev. Lett. Vol. 88, No. 95501, 2002.
  [9]. S.C. Erwin, L. Zu, M.I. Haftel, A.L. Efros, T.A. Kennedy D.J. Norris, “Doping Semiconductor Nanocrystals”, Nature Vol. 436, No. 03832, pp 91-96, 2005.
  [10]. D.J. Norris, A.L. Elfros, S.C. Erwin, “Doped Nanocrystals”, Science Vol. 319, No. 5871, pp 1776-1785, 2008.
  [11]. I.J. Berlin, J.S. Lakshmi, S. SujathaLekshmy, G.P. Daniel, P.V. Thomas K. Joy, “Effect of Sol Temperature on the Structure, Morphology, Optical and Photoluminescence Properties of Nanocrystalline Zirconia Thin Films”, J. Sol-Gel Sci. Technol. Vol. 58, pp 669-676. 2011.
  [12]. K. Joy, S. SujathaLekshmy, P.B. Nair, G.P. Daniel, “Band gap and Superior Refractive Index Tailoring Properties in Nanocomposite Thin Film Achieved through Sol-Gel Co-deposition Method”, J. Alloy. Compd. Vol. 512, pp 149-155, 2012.
  [13]. J.M.D. Coey, A.P. Douvalis, C.B. Fitzgerald, M. Venkatesan, “Ferromagnetism in Fe-doped SnO2 Thin Films”, Appl. Phy. Lett. Vol. 84, pp 1332-1334, 2004.
  [14]. N.H. Hong, J. Sakai, W. Prellier, A. Hassini, “Transparent Cr-doped SnO2 Thin Films: Ferromagnetism beyond Room Temperature with a Giant Magnetic Moment”, J. Phys. Condens. Matter Vol. 17, pp 1697-1702, 2005.
  [15]. X.F. Liu, W.M. Gong, J. Iqbal, B. He, R.H. Yu, “Structural Defects Mediated Room Temperature Ferromagnetism in Co-doped SnO2 Insulating Films, Thin Solid Films”, Vol. 517, pp 6091-6095, 2009.
  [16]. M.M. Bagheri-Mohagheghi, N. Shahtahmasebi, M.R. Alinejad, A. Youssefi, M. Shokooh-Saremi, “Fe-doped SnO2 Transparent Semiconducting Thin Films Deposited by Spray Pyrolisis Technique: Thermoelectric and p-type Conductivity Properties”, Solid State Sci Vol. 11, pp 233-239, 2009.
  [17]. K. Galatsis, L. Cukrov, W. Wlodarski, P. McCormick, K.Kalantarzadeh, E. Comini, G. Sberveglieri, “p- and n-type Fe-doped SnO2 Gas Sensors Fabricated by the Mechanochemical Processing Technique”, Sens. Actuators B. Chem. Vol. 93, pp 562-565, 2003.
  [18]. M.M. Bagheri-Mohagheghi, M. Shokooh-Saremi, “The Electrical, Optical, Structural and Thermoelectrical Characterization of n- and p-type Co-doped SnO2 Transparent Semiconducting Films Prepared by Spray Pyrolysis Technique”, Physica B Vol. 19, pp 4205-4210, 2010.
  [19]. A. Kaushal, P. Bansal, R. Vishnoi, N. Choudhary, D. Kaur, “Room Temperature Ferromagnetism in Sn1-xMnxO2 Nanocrystalline Thin Films Prepared by Ultrasonic Spray Pyrolysis”, Physica B Vol. 404, pp 3732-3738, 2009.
  [20]. F. Gu, S.F. Wang, M.K. Lu, G.J. Zhou, D. Xu and D. R. Yuan, “Photoluminescence Properties of SnO2 Nanoparticles Synthesized by Sol-Gel Method”, J. Phys. Chem. B Vol. 108, No. 35, pp 8119-8123, 2004.
  [21]. H. Kimuraa, T. Fukumuraa, H. Koinuma, M. Kawasaki, “Fabrication and Characterization of Mn-doped SnO2 Thin films”, Physica E Vol. 10, pp 265-267, 2001.
  [22]. R. Brahama, M.G. Krishna, A.K. Bhatnagar, “Optical, Structural and Electrical Properties of Mn-doped Tin Oxide Thin Films”, Bull. Mater. Sci Vol. 29 pp 317-322, 2006.
  [23]. Y. Xiao, Sh.Ge, Li. Xi, Y.Zuo, X. Zhou, B. Zhang, L. Zhang, Ch. Li, X. Han, Zh. Wen, “Optical and Ferroelectric Properties of KxNa1-xBa2Nb5O15 ”, Appl. Surf. Sci. Vol. 2547, pp 459-463, 2008.
  [24]. E.G. Birgin, I. Chambouleyron, J.M. Martinez, “Determination of Thickness and Optical Constants of Amorphous Silicon Films from Transmittance Data”, J. Comput. Phys. Vol. 77, No. 2133, 2000.
  [25]. J. Tauc, “Amorphous and Liquid Semiconductor (Plenum, New York, 1974).
  [26]. M. DiDomenico, S.H. Wemple, “Oxygen-Octahedra Ferroelectrics I, Theory of Electro-Optical and Nonlinear Optical Effects”, J. Appl. Phys. Vol. 40, pp 720-734, 1969.
  [27]. M.M. Bagheri-Mohagheri, M. Shokooh-Saremi, “Electrical, Optical and Structural Properties of Li-doped SnO2 Transparent Conducting Films Deposited by the Spray-Pyrolysis Technique: A Carrier-Type Conversion Study”, Semicond. Sci. Technol. Vol. 19 No. 6, pp 764-769, 2004.
  [28]. Z.M. Tian, S.L. Yuan, J.H. He, P. Li, S.Q. Zhang, C.H. Wang, Y.Q. Wang, S.Y. Yin, L. Liu, “Structural and Magnetic Properties in Mn Doped SnO2 Nanoparticles Synthesized by Chemical Co-Precipitation Method”, J. Alloys Compd. Vol. 466, No.1, pp 26-30, 2008.
  [29]. B.D. Cullity, S.R. Stock, Elements of X-Ray Diffraction, 3rd Edn. Prentice Hall, Upper Saddle River (2001) 388.
  [30]. S. Prabhakar, M. Dhanam, “Cds Thin Films from Two Different Chemical Baths- Structural and Optical Analysis”, J. Cryst. Growth Vol. 285, pp 41-48, 2005.
  [31]. F.E. Ghodsi, J. Mazloom, “Optical, Electrical and Morphological Properties of p-type Mn-doped SnO2 Nanostructured Thin Films Prepared by Sol-Gel Process”, Appl. Phys. A 108 (2012) 693-700.
  [32]. Sathyaseelan, K. Senthilnathan, T. Alagesan, R. Jayavel, K. Sivakumar, “Formation of Mn doped SnO2 Nanoparticles Via the Microwave Technique: Structural, Optical and Electrical Properties”, Mater. Chem. Phys. Vol. 124, pp 1046-1050, 2010.
  [33]. A. Bouaine, N. Brihi, G. Schmerber, C. Uihaq-Bouillet, S. Colis, A. Dinia, “Structural, Optical and Magnetic Properties of Co-doped SnO2 Powders Synthesized by the Coprecipitation Technique”, J.Phys. Chem. C Vol. 111, pp 2924-2928, 2007.
  [34]. T.N. Soitah, C. Yang, L. Sun, “Structural, Optical and Electrical Properties of Fe-doped SnO2 Fabricated by Sol-Gel Dip Coating Technique”, Mater. Sci. Semicond. Process, Vol. 13, pp 125-131, 2010.
  [35]. M.M. Abd El. Raheem, “Optical Properties of GeSeTI Thin Films”, J. Phys.: Condens. Matter Vol. 19, No. 216209, 2007.
  [36]. L. Wang, L. Meng, V. Teixeira, S. Song, Z. Xu, X. Xu, “Structural and Optical Properties of ZnO: V Thin Films with Different Doping Concentrations”, Thin Solid Films Vol. 517, pp 3721-3725, 2009.
  [37]. D.L. Wood, J. Tauc, “Weak Absorption Tails in Amorphous Semiconductors”, Phys. Rev. B Vol. 5, pp 3144-51, 1972.
  

  Citation
  Sunaina, Parikshit Sharma and Prianka Sharma, "Effect of Annealing Temperature on Structural and Optical properties of Mn doped SnO2 Thin Films Prepared by Sol-Gel Technique," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.99-107, 2019

• Open Access   Article

  Mica bearing pegmatites of Holenarasipura and Karighatta Schist belts of Western Dharwar Craton, Karnataka, India.

  G. S. Somesha, Govindaraju, M. Vinaya and S. Govindaiah

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.108-117, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.108117

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  Abstract
  Several pegmatite bodies of Precambrian age are located in and around the Holenarasipura and Karighatta schist belts of Hassan and Mandya districts respectively in the Dharwar Craton in Karnataka, These are ranging in size from few centimeters to more than 10 meters in width, with a maximum extension of about one kilometer. The pegmatites in the study area are of tabular, lensoidal and lenticular bodies, within the country rocks. Most of the pegmatites are found to be as concordant and few are discordant type of intrusions. Based on the mineralogical assemblage, the pegmatites of the study area are classified into simple and complex pegmatites. The characterization has been made for pegmatites on the basis of their petrographic, modal analysis, X-ray diffraction studies and also by field observation. The modal analysis has shown that the pegmatites fall mainly in the field of alkali feldspar granite, granite and granodiorite in QAP diagram with an indication of feldspar-rich composition followed by quartz, muscovite, biotite, garnet, zircon and apatite in decreasing abundance throughout the area.

  Key-Words / Index Term
  Pegmatites, Petrography, X-ray diffraction, Modal analysis, Holenarasipura and Karighatta

  References
  [1] K.L. Bhola, “Atomic Mineral Deposits in Bihar Mica-Belt”, Proc. Indian Nat. Sci. Acad. 37 A , No. 2, pp. 145-168, 1971.
  [2] C. Ramaswamy, M.L. Deshpandc, K.S. Murthy, H.P. Jaiswar, R.S. Jcsani, “Tin-bearing pegmatites of Baslar, M.P”, Geol. Surv. India, Spl. Pub. No. 3, pp.185-189, 1976.
  [3] V.J.S. Lamba & V.K. Khanna, “Characteristic features of tin-bearing rare metal pegmatites of Konla Tahsil, Bastar Dist, M.P”, Bull. Indian Geol. Assoc, Vol.14, No.2, pp.151-154, 1981.
  [4] P.V.R. Babu, “Tin and rare metal pegmatites of the Bastar - Koraput pegmatite Belt, Madhya Pradesh and Orissa”, India. Jour. Geol. Soc. India,Vol .42, pp.80-90, 1993.
  [5] L.G. Gwalani, V.P. Dalal, S. Soledad Fernandez, B.P. Mulai, Shireen Parveen and B.V. Shastry, “Granitic pegmatites of Koradi-Kolar sector, Nagpur District, Central India: Field, Petrographic and Mineralogical features”, Brazilian Journal of Geology, Vol.29, No.1, pp. 99-104, 1999.
  [6] D.C. Banerjee, N. Ranganath, P.B. Maithani and K.M.V. Jayaram, “Rare metal bearing pegmatites in parts of southern Karnataka”, India. Jour. Geol. Soc. India, Vol.30, pp. 507-513, 1987.
  [7] D.C. Banerjee, K.V.G. Krishna, G.V.G.K. Murthy, S.K. Srivastava, R.P. Sinha, “Occurrence of spodumene in the rare metal bearing pegmatites of Marlagalla-Allapatna area, Mandya district, Karnataka, India”, Jour. Geol. Soc. India, Vol.44, pp.127-139, 1994.
  [8] Chanchal Sarbajna, P. Krishnamurthy, “The fertile granite at Allapatna, Mandya district, Karnatka: A possible parent to Rare metal pegmatites of southern Karnataka”, Jour. Geol. Soc. India, Vol. 46, pp. 95-98, 1996.
  [9] P.B. Maithani, “Rare-metal pegmatite bodies with recoverable columbite-tantalite from the Arehalli area, Hassan dist, Karnataka”. Explor. Res. Atomic Minerals, Vol.20, pp.1-11, 2010.
  [10] Chanchal Sarbajna, P. Krishnamurthy, “Raremetal pegmatites of Marlagalla-Allpatna area, Mandya district, Karnataka: Some aspects on pegmatite zonation and geochemistry of pegmatitic minerals”, Jour. of Atomic Mineral Science, Vol.02, pp.29-43, 1994.
  [11] Chanchal Sarbajna, U. K. Pandey, P. Krishnamurthy, “Geochemistry and Petrogenesis of 2.8 Ga Old Rare Metal Bearing Fertile Granite at Allapatna, Mandya District, Karnataka”. Jour. Geol. Soc. India, Vol.91, pp.67-75, 2018.
  [12] A.K. Datta, “Internal Structure, Petrology and Mineralogy of calc-alkalinc pegmatites in parts of Rajasthan”, Mem. Geol. Surv. India, Vol.110, pp.1-112, 1973.
  [13] V.R. R.M. Babu, “Temperature of Formation of pegmatites of Nellore Mica Belt, A.P, India”, Econ.Geol, Vol.64, pp.66-71, 1969.
  [14] K. Soman, N. G. K. Nair, A. V. Druzhinin, "Chrysoberyl pegmatites of South Kerala and their metallogenic implications", Journal of the Geological Society of India, Vol.27, No.5, pp. 411-418, 1986.
  [15] Y. Singh, D.S. Sharma, “Geology of Tantalitc pegmatite from Belangi, Surguja District, Madhya Pradesh, India”, Jour. Geol. Soc. India, Vol.49, pp.427-432, 1997.
  [16] I. Parson, “Alkali feldspar and Fe-Tin oxide exsolution textures as indicators of the distribution and subsolidus effects of magmatic “water” in the Klokken layered syenite intrusion, South Greenland”, Transactions Research Society, Edinburgh. Earth Science, Vol.71, pp.1-12, 1980.
  [17] R. A. Yund, D. Ackermand, “Development of perthite microstructures in the Storm King granite, N.Y”, Contributions to Mineralogy and Petrology, Vol.70, No.3, pp.273–280, 1979.
  [18] A.L. Streckeisen, “Plutonic Rocks: Classification and Nomenclature Recommended by the I.U.G.S. Sub-Commission on the Systematic of Igneous Rocks”, Geo, Times, Vol.18, pp.26-30, 1973.
  [19] G E. Harlow, “The anorthoclase structures: The effects of temperature and composition”, American Mineralogist, Vol.67, pp. 975-996, 1982.
  [20] A. Blasi, C. De Pol Blasi, P.F. Zanazzi, “A re-examination of the Pellotsalo microcline: Mineralogical implications and genetic considerations”, The Canadian Mineralogist, Vol.25, pp. 527-537, 1987.
  
  

  Citation
  G. S. Somesha, Govindaraju, M. Vinaya and S. Govindaiah, "Mica bearing pegmatites of Holenarasipura and Karighatta Schist belts of Western Dharwar Craton, Karnataka, India.," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.108-117, 2019

• Open Access   Article

  Density functional theory approach towards bioactivity analysis of Isovallesiachotamine natural bio molecule

  Ashok Kumar Mishra and Satya Prakash Tewari

  Research Paper | Isroset-Journal (IJSRPAS)

  Vol.7 , Issue.2 , pp.118-131, Apr-2019

  CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i2.118131

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  Abstract
  Present investigation focuses on the analysis of the bioactivity contained in plant-derived natural bio molecule namely Iso-vallesiachotamine using density functional theory. In this view its Infra-Red active vibrations, Raman scattering activity, UV-visible absorption, 1H & 13 C NMR chemical shifts, zero-point vibrational energy, enthalpy, molar heat capacity at constant volume, entropy, dipole moment, polarizability, first order hyperpolarizability and chemical reactivity have been evaluated at its optimized geometry using DFT-B3LYP/6-31+G (d, p) level of theory. The Eigen value of HOMO and LUMO having energy gap ≈¬¬ -0.148 eV along with its molecular electrostatic potential (MESP) surface has been evaluated at the same level of theory. The strongest IR vibration, Raman activity, peak in UV-visible absorption band have been calculated to be occurred at 1698 cm-1, 3094 cm-1, 282 nm respectively and (1H, 13 C) NMR chemical shifts calculated at the aforesaid theoretical level; are consistent with their experimental counterparts which exhibit the compatibility of the adapted theoretical approach to study this molecular system. The theoretical dipole moment and zero-point vibrational energy has been calculated to be 5.87 Debye & 247.12 Kcal/Mol respectively. The bioactivity of the title molecule has been screened through molecular docking approach and viewed at MESP surface which has been found to be correlated with the molecular orbital theory in terms of low HOMO-LUMO energy gap. The findings of the present investigation enable us to draw the inference that the title bio molecule is a multifunction natural drug agent against the diabetic mellitus and lung cancer.

  Key-Words / Index Term
  DFT; HOMO-LUMO; IR-Raman; UV-VIS; MESP; Bioactivity

  References
  [1] D.P. Mishra, M.A. Khan, D.K. Yadav, A.K. Rawat, R.K. Singh, T. Ahamad, M.K. Hussain, M. Saquib, M.F. Khan, “Monoterpene Indole Alkaloids from Anthocephalus cadamba Fruits Exhibiting Anticancer Activity in Human Lung Cancer Cell Line H1299”, Chemistry Select Vol.3,pp.8468-72,2018. https://doi.org/10.1002/slct.201801475
  [2] D.P. Mishra , R. Maurya, “Isolation and Characterization of Bioactive Natural Products from Indian Medicinal Plants”, PhD Thesis (Central Drug Research Institute, Lucknow, India) 2014.
  [3] E. Taşal, İ. Sıdır, Y. Gulseven, C. Oğretir, T, Onkol, “Vibrational spectra and molecular structure of 3-(piperidine-1-yl-methyl)-1,3-benzoxazol-2(3H)-one molecule by density functional theory and Hartree–Fock calculations”. Journal of Molecular Structure Vol.923, pp.141, 2009.
  [4] A. Dwivedi, A.K. Srivastava, A, Bajpai, “Vibrational spectra, HOMO, LUMO, MESP sufaces and reactivity descriptors of amylamine and its isomers: A DFT study”, Spectrochim Acta A Vol.149, pp.343 2015. https://doi.org/10.1016/j.saa.2015.04.042
  [5] A.K. Srivastava, A.K. Pandey, S. Jain, N, Misra, “FT-IR spectroscopy, intra-molecular C-H—O interactions, HOMO,LUMO, MESP analysis and biological activity of two natural products, triclisine and rufescine: FT and QTAIM approaches”, Spectrochim Acta A Vol.136, pp.682, 2015. doi: 10.1016/j.saa.2014.09.082.
  [6] A. Kumar, A.K. Srivastava, S. Gangwar, N. Misra, A. Mondal, G. Brahmachari, “Combined experimental (FT-IR,UV- visible spectra, NMR) and theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO,MESP surfaces, reactivity descriptor and molecular docking of Phomarin”. J Mol Struct. Vol.1096, pp.94, 2015. https://doi.org/10.1016/j.molstruc.2015.04.031
  [7] L. Zhongqiang, Zhao-XuChen, J. Biaobing, “Density functional theory studies on the structures and vibrational spectroscopic characteristics of nickel, copper and zinc naphthalocyanines”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol.217,pp.8-17,2019, https://doi.org/10.1016/j.saa.2019.03.029
  [8] S. Cosconati, S. Forli, A.L. Perryman, R. Harris, D.S. Goodsell, A.J. Olson, "Virtual screening with AutoDock: theory and practice”. Expert Opin. Drug Discovery Vol.5,pp.597,2010, https://doi.org/10.1517/17460441.2010.484460
  [9] K. Sasaki, S. Dockerill, D.A. Adamiak, I.J. Tickle, T. Blundell, “X-ray analysis of glucagon and its relationship to receptor binding”. Nature pp.257, 1975. https://doi.org/10.1038/257751a0
  [10] (a) B. Padmanabhan, K.I.Tong, Y.Nakamura, T. Ohta, M. Scharlock, “Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2. RCSB PDB”, 2006. DOI: 10.2210/pdb1X2J/pdb (b) F.S.Yi, J.Q. Ren, W. Feng, “Crystal Structure of human Myosin 9b RhoGAP domain at 2.2 angstrom. RCSB PDB” 2015. DOI: 10.2210/pdb5C5S/pdb
  [11] D.Y. Oh, J.M. Oefsky, “G protien-coupled receptors as targets for anti-diabetic therapeutics”, Nat Rev Drug Discov. Vol.5, pp.161, 2016. https://doi.org/10.1038/nrd.2015.4
  [12] P.C. Hawkins, A.G. Skillman, A. Nicholls, “Comparison of shape-matching and docking as virtual screening tools”, J Med Chem Vol.50, pp.74, 2007. DOI: 10.1021/jm0603365
  [13] V.I. Timofeev, R.N. Chuprov-Netochin, V.R. Samigina, V.V. Bezuglov, K.A. Miroshnikov, I.P. Kuranova, “X-ray investigation of gene-engineered human insulin crystallized from a solution containing polysialic acid”. Acta Crystallogr Sect F Struct Biol Cryst Commun. Vol.66(Pt-3)pp.259–263,2010. doi: 10.1107/S1744309110000461
  [14] Lucie Coppin, Audrey Vincent, Frédéric Frénois, Belinda Duchêne, Fatima Lahdaoui, “Galectin-3 is a non-classic RNA binding protein that stabilizes the mucin MUC4mRNA in the cytoplasm of cancer cells”. Scientific Reports Vol.7, pp.43927, 2017. DOI: https://doi.org/10.1038/srep43927
  [15] A.D. Becke, “Density‐functional thermochemistry. III. The role of exact exchange”. J. Chem. Phys. Vol.98 pp.5648-5652, 1993. https://doi.org/10.1063/1.464913
  [16] C. Lee, W. Yang, R.G. Parr, “Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density”, Phys. Rev. B Vol.37, pp.785, 1988. DOI:https://doi.org/10.1103/PhysRevB.37.785
  [17] V. Barone, M. Cossi, “A new definition of cavities for the computation of solvation free energies by the polarizable continuum model”. J. Chem. Phys. Vol.107, pp.3210, 1997. https://doi.org/10.1063/1.474671
  [18] M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M.Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L.Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, Jr. J.A. Montgomery, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N.Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M.Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich,. A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowskiand D.J. Fox,l Gaussian 09,Revision B.01,Gaussian Inc. J. Comput. Chem. Vol.30 pp.2785, 2009.
  [19] G.M. Morris, R. Huey, W. Lindstrom, M.F. Sanner, R.K. Belew, D.S. Goodsell , A. J. Olson “Autodock4 and AutoDockTools4: automated docking with selective receptor flexibility”. J. Comput. Chem., Vol.30 pp.2785, 2009. DOI: 10.1002/jcc.21256
  [20] S. Forli, A.J. Olson, “A force field with discrete displaceable waters and desolvations entropy for hydrated ligand Docking”. J. Med. Chem. Vol.55, pp.623, 2012. doi: 10.1021/jm2005145.
  [21] G.B. Ferreira, W.F. Azevedo, “Development of a machine-learning model to predict Gibbs free energy of binding for protein-ligand complexes”. Biophysical Chemistry Vol.240,pp.63,2018. doi: 10.1016/j.bpc.2018.05.010.
  [22] (a)https://www.rcsb.org/structure/1gcn.DOI: 10.2210/pdb1GCN/pdb (b)https://www.rcsb.org/structure/1X2J.DOI: 10.2210/pdb1X2J/pdb (c)https://www.rcsb.org/structure/2NMO.DOI: 10.2210/pdb2NMO/pdb (d)https://www.rcsb.org/structure/3I40.DOI: 10.2210/pdb3I40/pdb (e)https://www.rcsb.org/structure/5C5S. DOI: 10.2210/pdb5C5S/pdb
  [23] A.K. Mishra and S.P. Tewari, “DFT based modeling of a natural molecule-D-Myo-Inositol explores it to be a multifunctional biologically active” AIP Conference Proceeding, Vol.2100, 020067pp1-5, 2019. https://doi.org/10.1063/1.5098621
  [24] (a) R.M. Silversten, G.C. Bassler, Morrill, “Spectrometric Identification of Organic Compound” ,Jhon Wiley and sons 1991. (b) G. Socrates, “Infrared and Raman Characteristic group Frequencies”, (3rd edn.) Wiley, New Yark 2001.
  [25] R. Dennington, T. Keith, J. Millam, Gauss View, Version 5, Semichem Inc., Shawnee Mission KS 2009.
  [26] J.P. Merrick, D. Morran, L. Radom, “An Evaluation of Harmonic Vibrational Frequency Scale Factors”. J phys. chem. A Vol.111, pp.11683, 2007. DOI: 10.1021/jp073974n
  [27] T. Schlick, “Molecular Modeling and Simulation: An Interdisciplinary Guide” (2nd edn.), Springer, New York Vol. 21, 2010. DOI 10.1007/978-1-4419-6351-2 1
  [28] R.G. Pearson, “Absolute electronegativity and hardness correlated with molecular orbital theory”, proc. Natl. Acad. Sci. (USA) Vol.83 pp.8440, 1986. PMID: 16578791
  [29] (a) M. Belletete, J.F. Morin, M. Leclerc, G. Durocher, “A theoretical, spectroscopic, and photophysical study of 2, 7-carbazolenevinylene-based conjugated derivatives”. J.Phys. Chem. A 109 (2005) 6953, DOI: 10.1021/jp051349h (b) D. Zhenminga, S. Heping, L. Yufang, L. Dianshenga, L. BoL, “Experimental and theoretical study of 10-methoxy-2-phenylbenzo[h]quinoline”. Spectrochimica. Acta Part A Vol.78, pp.1143, 2011. https://doi.org/10.1016/j.saa.2010.12.067
  [30] D.F. Lewis, C. Loannides, D.V. Parke, “Interaction of a series of nitriles with the alcohol-inducible isoform of P450:computer analysis of structure-activity relationships”. Xenobiotica Vol.24,pp.401,1994 https://www.ncbi.nlm.nih.gov/pubmed/8079499
  [31] (a) E. Scrocco, J. Tomasi, “Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular Potentials”. Adv. Quantum Chem. Vol.11,pp.115,1978. https://doi.org/10.1016/S0065-3276(08)60236-1 (b) F.J. Luque, J.M. Lopez, M. Orozco, “Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects”. Perspective on Theor. Chem. Acc. Vol.10, pp.343, 2000. https://doi.org/10.1007/978-3-662-10421-7_56
  [32] (a) E. Scrocco, J. Tomasi, “Topics in Current Chemistry” Vol.7,pp.95,1973. https://www.springer.com/series/128 (b) Y. Li, Y. Liu, H. Wang, X. Xiong, P. Wei, F. Li, “Synthesis, Crystal Structure, Vibration Spectral, and DFT Studies of 4-Aminoantipyrine and Its Derivatives”. Molecules Vol.18, pp. 877, 2013. https://doi.org/10.3390/molecules18010877
  [33] M. Arirazhagan, J. K. Senthil, “Vibrational analysis of 4-amino pyrazolo (3,4-d) pyrimidine A joint FTIR, Laser Raman and scaled quantum mechanical studie”. Spectrochim. Acta, Part A Vol.82,pp. 228, 2011. https://doi.org/10.1016/j.saa.2011.07.040
  [34] V. Arjunan, S. Thillai Govindaraya, P. Ravindran, S. Mohan, “Exploring the structure–activity relations of N-carbethoxyphthalimide by combining FTIR, FT-Raman and NMR spectroscopy with DFT electronic structure method. Spectrochim”. Acta Part A Vol.120, pp. 473, 2014. DOI: 10.1016/j.saa.2013.10.025
  [35] N. Sundaraganesan, S. Ilakiamani, B.D. Joshua, “FT-Raman and FT-IR spectra, ab initio and density functional studies of 2-amino-4, 5-difluorobenzoic acid”. Spectrochim. Acta Part A, Vol.67, pp. 287, 2007. https://doi.org/10.1016/j.saa.2006.07.016
  

  Citation
  Ashok Kumar Mishra and Satya Prakash Tewari, "Density functional theory approach towards bioactivity analysis of Isovallesiachotamine natural bio molecule," International Journal of Scientific Research in Physics and Applied Sciences, Vol.7, Issue.2, pp.118-131, 2019