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1.
Considering external electric field as well as third- and fourth-order phonon anharmonic interaction terms in the pseudospin-lattice
coupled mode (PLCM) model Hamiltonian for KDP-type ferroelectrics, expressions for field-dependent shift, width, renormalized
soft mode frequency, Curie temperature, dielectric constant and dielectric loss are evaluated. For the calculation, method
of statistical double-time temperature-dependent Green’s function has been used. By fitting model values of physical quantities,
temperature and electric field dependences of soft mode frequency, dielectric constant and loss have been calculated which
compare well with experimental results of Baumgartner [8] and Choi and Lockwood [9]. Both dielectric constant and loss decrease
with electric field. 相似文献
2.
Understanding the kinetics of grain growth, under the influence of second phase (such as impurities, voids and bubbles) is fundamental to advances in the control of microstructural evolution. As a precursor to this objective, we have investigated the grain growth kinetics in a polycrystalline material using a standard Q-state Potts’ model under Monte Carlo settings. Based on physical reasoning, new modifications are suggested to circumvent some of the disadvantages in the basic Potts model. The efficacy of these modifications vis-à-vis the basic model is verified. The influence of second phase particles on the impurity loaded grain boundaries is investigated for the study of grain growth kinetics. 相似文献
3.
Birendra K. Agrawal Madhup Chandra Badri V. Agarwala Arun K. Dey 《Transition Metal Chemistry》1978,3(1):243-246
Summary Mixed ligand complexes of copper(II), zinc(II), nickel(II) and cobalt(II) ions involving 1,10-phenanthroline (phen) as primary and 3,5-dinitrosalicylic acid (dnsa), 5-nitrosalicylic acid (nsa), 5-chlorosalicylic acid (csa) and 3,5-dibromosalicylic acid (dbsa) as secondary ligands in solution have been investigated potentiometrically [25°, µ = 0.1 M [NaClO4], medium 50% v: v aqueous ethanol]. The stability order of mixed ligand complexes with respect to the metal ions obeys the natural order: cobalt(II) < nickel(II) < copper(II) > zinc(II). The stabilities of the heterometal chelates have been compared with the corresponding homometal chelates of the secondary ligands and have been interpreted in terms of metal-ligand effects and coulombic interactions between various ligand anion species present. 相似文献
4.
An attempt js made to study the behaviour of recoil128I atoms in neutron irradiated I2O5 at ambient temperature. The initial retention is found to be 44±2%. However, a substantial increase /57±2%/ in the value is observed upon heating the sample at 473 K for 1 h prior to irradiation. A kinetic study of post-recoil thermal annealing of neutron irradiated material is also presented. Effect of pre-heat treatment results in a decrease of rate constants and saturation retention values at respective temperatures while the Eact for the overall process remains almost unaltered. 相似文献
5.
Heimark L Shipkova P Greene J Munayyer H Yarosh-Tomaine T DiDomenico B Hare R Pramanik BN 《Journal of mass spectrometry : JMS》2002,37(3):265-269
A liquid chromatography/mass spectrometry (LC/MS) method for separation and characterization of ergosterol biosynthetic precursors was developed to study the effect of Posaconazole on sterol biosynthesis in fungi. Ergosterol biosynthetic precursors were characterized from their electron ionization mass spectra acquired by a normal-phase chromatography, particle beam LC/MS method. Fragment ions resulting from cleavage across the D-ring and an abundant M - 15 fragment ion were diagnostic for methyl substitution at C-4 and C-14. Comparison of the sterol profile in control and treated Candida albicans incubations showed depletion of ergosterol and accumulation of C-4 and C-14 methyl-substituted sterols following treatment with Posaconazole. These C-4 and C-14 methyl sterols are known to be incapable of sustaining cell growth. The results demonstrate that Posaconazole exerts its antifungal activity by inhibition of ergosterol biosynthesis. Furthermore, Posaconazole appears to disrupt ergosterol biosynthesis by inhibition of lanosterol 14alpha-demethylase. 相似文献
6.
Patnaik A Okudaira KK Kera S Setoyama H Mase K Ueno N 《The Journal of chemical physics》2005,122(15):154703
Near-edge x-ray-absorption fine structure (NEXAFS) spectroscopy was adopted to probe the unoccupied electronic states of C60 anchored onto an organized assembly of 11-amino-1-undecane thiol on Au(111). The polarization dependence of the intensity of pi* resonance associated with C60 pi network revealed the self-assembled monolayer (SAM) system to be oriented with an average molecular tilt angle of 57 degrees with respect to the surface normal. Invoking the absence of solid-state band dispersion effects and in comparison to solid C60 and /or 1-ML C60/Au(111), the electronic structure of the resulting assembly was found dominated by spectral position shift and linewidth and intensity changes of the lowest unoccupied molecular orbital (LUMO), LUMO+1, and LUMO+2 orbitals. The latter implied hybridization between N Pz of -NH2 group of thiolate SAM and pi levels of C60, resulting in a nucleophilic addition with a change in the symmetry of C60 from Ih to C1 in the SAM. Occurrence of a new feature at 285.3 eV in the NEXAFS spectrum, assigned previously to pi* graphitic LUMO, signified the formation of aggregated clusters, (C60)n of C60 monomer. Low tunneling current scanning tunneling microscopy confirmed them to be spherical and stable aggregates with n approximately 5. 相似文献
7.
Extraction and characterization of adenovirus 总被引:5,自引:0,他引:5
Mirza UA Liu YH Tang JT Porter F Bondoc L Chen G Pramanik BN Nagabhushan TL 《Journal of the American Society for Mass Spectrometry》2000,11(4):356-361
A new methodology for the extraction and characterization of proteins from Coomassie-stained sodium dodecylsulfate polyacrylamide gel electrophoresis using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) has been described. The utility of this methodology was demonstrated in the characterization of adenovirus proteins. The key steps in the extraction and destaining process involve washing the excised band with a combination of solvents that include 10% acetic acid, acetonitrile, methanol, and formic acid:water:isopropanol mixture. By using this procedure, we determined adenovirus proteins with molecular weights ranging from 10,000 to 110,000 Da by MALDI-MS, obtaining a detection limit of approximately 6 pmol. Parallel experiments were successfully carried out to analyze adenovirus proteins from Cu-stained gels. It was observed that increase in laser intensity resulted in significant improvements in the quality of MALDI mass spectra for the analysis of inefficiently destained proteins from Cu-stained gels. 相似文献
8.
Cr(III) slowly forms a violet complex with EDTA at pH 3.5 +/- 0.2 under normal conditions. The complex formation can be catalyzed by irradiating the reacting mixture with ultrasonic waves. Quantitative formation of the complex was possible with ultrasonic waves of 15 W/cm(2) intensity within 7.5 min of sonication. This method may be successfully applied to the determination of chromium in ores and beneficiated products containing 20-60% Cr(2)O(3) without separating the analyte from the matrix elements. 相似文献
9.
Norman G. Gaylord Achyut B. Deshpande Sunit S. Dixit Sukumar Maiti Birendra K. Patnaik 《Journal of polymer science. Part A, Polymer chemistry》1975,13(2):467-482
α-Methylstyrene (MS) and isobutyl vinyl ether (VE) readily polymerize, styrene (S) polymerizes to a small extent, and isobutylene (IB), butadiene (BD), and isoprene (IP) fail to polymerize in the presence of catalytic amounts of AlCl3 when propionitrile, ethyl propionate, and methyl isobutyrate are used as reaction media. MS polymerizes readily and S polymerizes with difficulty in the presence of AlCl3 to yield homopolymers when acrylonitrile (AN) is present and copolymers with ethyl acrylate (EA) and methyl methacrylate (MMA). VE readily homopolymerizes, while IB, BD, and IP fail to polymerize in the presence of AlCl3 and the acrylic monomers. VE readily homopolymerizes, S and MS polymerize to a very small extent, and IB, BD, and IP do not polymerize in the presence of ethylaluminum sesquichloride (EASC) in polar solvents. VE readily homopolymerizes in the presence of EASC and the acrylic monomers. MS polymerizes to a small extent in the presence of EASC and the acrylic monomers to yield equimolar copolymers with EA and MMA and a mixture of cationic homopolymer and equimolar copolymer with AN. S yields equimolar copolymers in low yield in the presence of EASC and the acrylic monomers. IB, BD, and IP in the presence of EASC do not polymerize to any significant extent when EA is present, form AN-rich copolymers and yield poly(methyl methacrylate) in the presence of MMA. A revised mechanism is presented for the formation of cationic, radical, random, and alternating copolymers as well as alternating copolymer graft copolymers in the copolymerization of donor and acceptor monomers. 相似文献
10.
Ronald L. Cerny Denise K. MacMillan Michael L. Gross Alan K. Mallams Birendra N. Pramanik 《Journal of the American Society for Mass Spectrometry》1994,5(3):151-158
Molecular weights of macrolide antibiotics can be determined from either (M + H)+ or (M + Met)+, the latter desorbed from alkali metal salt-saturated matrices. The ion chemistry of macrolides, as determined by tandem mass spectrometry (MS/MS), is different for ions produced as metallated than those formed as (M + H)+ species. An explanation for these differences is the location of the charge. For protonated species, the charge is most likely situated on a functional group with high proton affinity, such as the dimethylamino group of the ammo sugar. The alkali metal ion, however, is bonded to the highly oxygenated aglycone. As a result, the collision-activated dissociation spectra of protonated macrolides are simple with readily identifiable fragment ions in both the high and low mass regions but no fragments in the middle mass range. In contrast, the cationized species give complex spectra with many abundant ions, most of which are located in the high mass range. The complementary nature of the fragmentation of these two species recommends the study of both by MS/MS when determining the structure or confirming the identity of these biomaterials. 相似文献