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    Wyświetlanie 1-6 z 6
    Tytuł:
    First Order Hyperpolarizabilities, NPA and Fukui Functions of Cyclohexanone by Density Functional Theory Method
    Autorzy:
    Gangadharan, Rubarani
    Sampath Krishnan, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1398896.pdf
    Data publikacji:
    2015-03
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    61.30.-v
    78.30.Jw
    31.15.Ew
    Opis:
    The molecular structure of cyclohexanone was calculated by the B3LYP density functional model with 6-311++G(d,p) basis set by Gaussian program. The results from natural bond orbital analysis have been analyzed in terms of the hybridization of atoms and the electronic structure of the title molecule. The formation of hydrogen bond was investigated using natural bond orbital calculation. The electron density based local reactivity descriptors such as Fukui functions were calculated. The dipole moment (μ) and polarizability (α), anisotropy polarizability (Δα) and first order hyperpolarizability ($β_\text{tot}$) of the molecule have been reported. Thermodynamic properties of the title compound were calculated at different temperatures.
    Źródło:
    Acta Physica Polonica A; 2015, 127, 3; 748-752
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Natural Bond Orbital (NBO) Population Analysis of 1-Azanapthalene-8-ol
    Autorzy:
    Gangadharan, Rubarani
    Sampath Krishnan, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1205799.pdf
    Data publikacji:
    2014-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.20.Tp
    31.15.Ae
    31.15.Ar
    31.15.Ew
    Opis:
    The molecular structure of 1-azanapthalene-8-ol was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian program. The results from natural bond orbital analysis have been analyzed in terms of the hybridization of atoms and the electronic structure of the title molecule. The stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital analysis. The electron density based local reactivity descriptors such as the Fukui functions were calculated. The dipole moment (μ) and polarizability (α), anisotropy polarizability (Δ α) and first order hyperpolarizability $(β_\text{tot})$ of the molecule have been reported.
    Źródło:
    Acta Physica Polonica A; 2014, 125, 1; 18-22
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Immune response of shrimp Peneaus monodon against Vibrio parahaemolyticus
    Autorzy:
    Muthaiyan, Rajikkannu
    Krishnan, S.
    Periyasamy, Selvakumar
    Chetri, Zhievino
    Nandakumar, R.
    Powiązania:
    https://bibliotekanauki.pl/articles/1031867.pdf
    Data publikacji:
    2020
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    NBT activity and Pathogenesis
    Penaeus monodon
    V. parahaemolyticus
    Opis:
    The study was carried out on impact of vibriosis by using Vibrio parahaemolyticus in Peneaus monodon Fabricius, 1798, collected from Nagapattinam. The impact was studied on heamatological and biochemical parameters. Feeds were prepared by coating probiotic strains of B. firmus and B. coagulans. Laboratory investigations were carried out concerning impact of pathogenic Vibrio parahaemolyticus of total count, differential count, Nitroblue tetrazolium activity, Prophenoloxidase activity and bacterial clearance in P. monodon. Total heamocyte was enumerated in vibriosis by induced shrimps, all results showing an increase in total haemocyte count after the time of infection. After feeding, the total heamocyte count was 1442 cells/cu·mm in control animals, in B. coagulans supplemented animals 2757 cells/cu.mm and in B. firmus was 2448 cell/cu·mm. After feed supplementation the shrimps were infected with V. parahaemolyticus and their impact on total haemocyte count was assessed in all three groups. In control, the total haemocyte count was increased with 2560 cells/cu·mm, whereas in B. coagulansis 5126 cells/cu·mm, and in B. firmusis 4697cells/cu·mm. Two-way Analysis of Variance for total haemocyte count in normal and infected haemolymph showed a significant variation. The control samples recorded the lowest, and after infection B. coagulans supplemented animals recorded maximum counts among three groups. Differential count was evaluated by studying the three types of cells. There was not much variation in the percentage of cells, but a slight decrease was observed in the hyaline cells after 24 hours of infection. The NBT activity was 1.4 (NBT activity) in control animals, 2.7 in B. coagulans and 2.4 in B. firmus supplemented animals. Maximum reduction was observed in control animals with 0.92, 1.7 in B. coagulans and 1.4 in B. firmus supplemented animals. There was an initial spurt of vibrios when cultured in selective medium TCBS in all three treatments and gradual decrease in the vibrios count during 24 hours observation.
    Źródło:
    World News of Natural Sciences; 2020, 30, 2; 150-168
    2543-5426
    Pojawia się w:
    World News of Natural Sciences
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Utility of Chromobacterium violaceum SUK1a, an indigenous bacterial isolate for the bioremediation of Cr(VI)
    Autorzy:
    Prabhakaran, D. C.
    Krishnan, S.
    Ramamurthy, P. C.
    Sivry, Y.
    Quantin, C.
    Subramanian, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/109867.pdf
    Data publikacji:
    2018
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    biosorption
    bioremediation
    chromium
    bioreduction
    Chromobacterium violaceum SUK1a
    Opis:
    The potential of an indigenous bacterial strain, Chromobacterium violaceum SUK1a, isolated from surface water samples collected from Sukinda Valley in Odisha, India, has been evaluated for the first time for the bioremediation of toxic hexavalent chromium (Cr(VI)) ions. The isolate was assessed for its Cr(VI) biosorption efficiency and the various parameters affecting the biosorption process were evaluated. A maximum Cr(VI) biosorption of about 50% was obtained, and the residual chromium was in the form of less toxic Cr(III). The Gibbs free energy of biosorption was determined to be -26.3 kJ/mol, suggestive of a chemisorption process. Additionally, the Cr(VI) biosorption by the isolate followed pseudo second order kinetics. FTIR spectral studies indicated that the surface functional groups present on the bacterial isolate such as, carboxyl, hydroxyl, amino, and phosphate groups were involved in the complexation of chromium ions with the bacterial cells. X-ray photoelectron spectroscopic studies on Cr(VI) interacted bacterial cells revealed an additional peak corresponding to Cr(III) in the Cr(2p) spectra. The surface charge of the bacterial cells subsequent to interaction with Cr(VI) were less negative compared to the pristine cells, which further substantiated the bioreduction of Cr(VI) to Cr(III). The bioremediation mechanism of Cr(VI) by the bacterial isolate is delineated to be governed by both biosorption and bioreduction processes under metabolism independent conditions. The results obtained indicate that the isolate can be a promising candidate for Cr(VI) bioremediation applications.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2018, 54, 4; 1266-1281
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Influence of Acoustic Emission Signals and Damage Analysis During the Tensile Test on Al8011 Hybrid Composites by Stir Casting Method
    Autorzy:
    Kannan, C. R.
    Suresh, S.
    Navaneetha Krishnan, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/2203742.pdf
    Data publikacji:
    2023
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    Al8011
    stir casting
    acoustic emission
    tensile
    corrosion
    Opis:
    Metal network compounds have primary properties. The use of lightweight and low vitality is a testament to the growing interest in the automotive industry. Aluminum alloys, due to their advanced physical, mechanical and tribological properties, have become a highly emerging material for a variety of industrial applications and the importance of efficient material selection is explained. In this paper, an Al8011 hybrid metal matrix composite is developed through the stir casting process. The different weight proportions of B4C (3%, 6%, 9% & 12%) and fixed proportions of 2% MoS2 have been used. Composite developed are subjected to mechanical properties evaluation and seawater corrosion studies following standard procedures. To study the porosity of the composite samples, theoretical density and actual density are calculated. An acoustic emission system-assisted tensile test is carried out to report the strength of the composite. From this experimental method, adding reinforcement can increase the tensile strength and hardness of the composites. Under sea water, the increase in reinforcement found an increase in corrosion resistance. Fractured surfaces were perused using SEM and EDS analysis.
    Źródło:
    Archives of Metallurgy and Materials; 2023, 68, 1; 223--235
    1733-3490
    Pojawia się w:
    Archives of Metallurgy and Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Embedded Solitons and Conservation Law with $χ^{(2)}$ and $χ^{(3)}$ Nonlinear Susceptibilities
    Autorzy:
    Savescu, M.
    Kara, A.
    Kumar, S.
    Krishnan, E.
    Zaka Ullah, M.
    Moshokoa, S.
    Zhou, Qin
    Biswas, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1398312.pdf
    Data publikacji:
    2017-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    solitons
    χ^{(2)}
    conservation laws
    Opis:
    This paper studies embedded solitons that are confined to continuous spectrum, with $χ^{(2)}$ and $χ^{(3)}$ nonlinear susceptibilities. Bright and singular soliton solutions are obtained by the method of undetermined coefficients. Subsequently, the Lie symmetry analysis and mapping method retrieves additional solutions to the model such as shock waves, singular solitons, cnoidal waves, and several others. Finally, a conservation law for this model is secured through the Lie symmetry analysis.
    Źródło:
    Acta Physica Polonica A; 2017, 131, 2; 297-303
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-6 z 6

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