An Application of 3-D Kinematical Conservation Laws: Propagation of a 3-D Wavefront

Three-dimensional (3-D) kinematical conservation laws (KCL) are equations of evolution of a propagating surface Omega(t) in three space dimensions. We start with a brief review of the 3-D KCL system and mention some of its properties relevant to this paper. The 3-D KCL, a system of six conservation laws, is an underdetermined system to which we add an energy transport equation for a small amplitude 3-D nonlinear wavefront propagating in a polytropic gas in a uniform state and at rest. We call the enlarged system of 3-D KCL with the energy transport equation equations of weakly nonlinear ray theory (WNLRT). We highlight some interesting properties of the eigenstructure of the equations of WNLRT, but the main aim of this paper is to test the numerical efficacy of this system of seven conservation laws. We take several initial shapes for a nonlinear wavefront with a suitable amplitude distribution on it and let it evolve according to the 3-D WNLRT. The 3-D WNLRT is a weakly hyperbolic 7 x 7 system that is highly nonlinear. Here we use the staggered Lax-Friedrichs and Nessyahu-Tadmor central schemes and have obtained some very interesting shapes of the wavefronts. We find the 3-D KCL to be suitable for solving many complex problems for which there presently seems to be no other method capable of giving such physically realistic features.

Identifying N60D mutation in omega subunit of Escherichia coli RNA polymerase by bottom-up proteomic approach

Escherichia coli RNA polymerase is a multi-subunit enzyme containing alpha(2)beta beta'omega sigma, which transcribes DNA template to intermediate RNA product in a sequence specific manner. Although most of the subunits are essential for its function, the smallest subunit omega (average molecular mass similar to 10,105 Da) can be deleted without affecting bacterial growth. Creating a mutant of the omega subunit can aid in improving the understanding of its role. Sequencing of rpoZ gene that codes for omega subunit from a mutant variant suggested a substitution mutation at position 60 of the protein: asparagine (N) -> aspartic acid (D). This mutation was verified at the protein level by following a typical mass spectrometry (MS) based bottom-up proteomic approach. Characterization of in-gel trypsin digested samples by reverse phase liquid chromatography (LC) coupled to electrospray ionization (ESI)-tandem mass spectrometry (MS/MS) enabled in ascertaining this mutation. Electron transfer dissociation (ETD) of triply charged (M + 3H)(3+)] tryptic peptides (residues 53-67]), EIEEGLINNQILDVR from wild-type and EIEEGLIDNQILDVR from mutant, facilitated in unambiguously determining the site of mutation at residue 60.

Conformational properties of hybrid peptides containing alpha and omega-amino acids

This review briefly surveys the conformational properties of guest omega-amino acid residues when incorporated into host alpha-peptide sequences. The results presented focus primarily on the use of beta- and gamma-residues in alphaomega sequences. The insertion of additional methylene groups into peptide backbones enhances the range of accessible conformations, introducing additional torsional variables. A nomenclature system, which permits ready comparisons between alpha-peptides and hybrid sequences, is defined. Crystal structure determination of hybrid peptides, which adopt helical and beta-hairpin conformations permits the characterization of backbone conformational parameters for beta- and gamma-residues inserted into regular alpha-polypeptide structures. Substituted beta- and gamma-residues are more limited in the range of accessible conformation than their unsubstituted counterparts. The achiral beta,beta-disubstituted gamma-amino acid, gabapentin, is an example of a stereochemically constrained residue in which the torsion angles about the C-beta-C-gamma (theta(1)) and C-alpha-C-beta (theta(2)) bonds are restricted to the gauche conformation. Hybrid sequences permit the design of novel hydrogen bonded rings in peptide structures.

Dielectric and Impedance Studies on 0.5Li(2)O-0.5K(2)O-2B(2)O(3) Glasses

Transparent glasses in the system 0.5Li(2)O-0.5K(2)O-2B(2)O(3) (LKBO) were fabricated via the conventional melt quenching technique. Amorphous and glassy nature of the samples was confirmed by X-ray diffraction and differential scanning calorimetry (DSC) respectively. Complex dielectric and impedance studies were conducted on the samples at different temperatures in the 100 Hz-10 MHz frequency range. ac conductivity was calculated from the dielectric data and the conductivity relaxation was found to obey the Jonscher's law. The Nyquist's plots (Z `'(omega) vs. Z'(omega)) showed single suppressed semicircles at all the temperatures under study indicating the non ideal Debye type relaxation process to be active. Activation energies for conduction and relaxation process were calculated using the Arrhenius relation. The UV-visible optical transmission spectra was shown a wide transmission window and calculated optical band gap was found to be 5.67 eV.

The effect of host glass on optical absorption and fluorescence of Nd3+ in xNa(2)O-(30-x)K2O-70B(2)O(3) glasses

The effect of host glass composition on the optical absorption and fluorescence spectra of Nd3+ has been studied in mixed alkali borate glasses of the type xNa(2)O-(30-x)K2O-69.5B(2)O(3)-0.5Nd(2)O(3) (X = 5,10,15,20 and 25). Various spectroscopic parameters such as Racah (E-1, E-2 and E-3), spin-orbit (xi(4f)) and configuration interaction (alpha, beta) parameters have been calculated. The Judd-Ofelt intensity parameters (Omega(lambda)) have been calculated and the radiative transition probabilities (A(rad)), radiative lifetimes (tau(r)), branching ratios (beta) and integrated absorption cross sections (Sigma) have been obtained for certain excited states of the Nd3+, ion and are discussed with respect to x. From the fluorescence spectra, the effective fluorescence line widths (Deltalambda(eff)) and stimulated emission cross sections (sigma(p)) have been obtained for the three transitions F-4(3/2) --> I-4(9/2), F-4(3/2) --> I-4(11/2) and F-4(3/2) --> I-4(13/2) of Nd3+. The stimulated emission cross section (sigma(p)) values are found to be in the range (2.0-4.8) x 10(-2)0 cm(2) and they are large enough to indicate that the mixed alkali borate glasses could be potential laser host materials.

Observation of the nuclear magnetic octupole moment of Yb-173 from precise measurements of the hyperfine structure in the P-3(2) state

We measure hyperfine structure in the metastable P-3(2) state of Yb-173 and extract the nuclear magnetic octupole moment. We populate the state using dipole-allowed transitions through the P-3(1) and S-3(1) states. We measure frequencies of hyperfine transitions of the P-3(2) -> S-3(1) line at 770 nm using a Rb-stabilized ring cavity resonator with a precision of 200 kHz. Second-order corrections due to perturbations from the nearby P-3(1) and P-1(1) states are below 30 kHz. We obtain the hyperfine coefficients as A = -742.11(2) MHz and B = 1339.2(2) MHz, which represent a two orders-of-magnitude improvement in precision, and C = 0.54(2) MHz. From atomic structure calculations, we obtain the nuclear moments quadrupole Q = 2.46(12) b and octupole Omega = -34.4(21) b x mu(N). DOI: 10.1103/PhysRevA.87.012512

High Proton Mobility, Solvent Induced Single Crystal to Single Crystal Structural Transformation, and Related Studies on a Family of Compounds Formed from Mn-3 Oxo-Clusters

The reaction between 4,4'-sulfonyldibenzoic acid (H(2)SDBA) and manganese under mild conditions resulted in the isolation of two new three-dimensional compounds, Mn-4(C14H8O6S)(4)(DMA)(2)]center dot 3DMA, I, and Mn-3(C14H8O6S)(3)(DMA)(2)(MeOH)]center dot DMA, IIa. Both structures have Mn-3 trimer oxo cluster units. While the Mn-3 oxoclusters are connected through octahedral manganese forming one-dimensional Mn-O-Mn chains in I, the Mn-3 units are isolated in IIa. The SDBA units connect the Mn-O-Mn chains and the Mn-3 clusters giving rise to the three-dimensional structure. Both compounds have coordinated and free solvent molecules. In IIa, two different solvent molecules are coordinated, of which one solvent can be reversibly exchanged by a variety of other similar solvents via a solvent-mediated single crystal to single crystal (SCSC) transformation. The free lattice DMA solvent molecules in I can be exchanged by water molecules resulting in hydrophilic channels. Proton conductivity studies on I reveals a high proton mobility with conductivity values of similar to 0.87 x 10(-3) Omega(-1) cm(-1) at 34 degrees C and 98% RH, which is comparable to some of the good proton conductivity values observed in inorganic coordination polymers. We have also shown structural transformation of I to IIa through a possible dissolution and recrystallization pathway. In addition, both I and IIa appear to transform to two other manganese compounds H3O]Mn-3(mu(3)-OH)(C14H8O6S)(3)(H2O)](DMF)(5) and H3O](2)Mn-7(mu 3-OH)(4)(C14H8O6S)(6)(H2O)(4)](H2O)(2)(DMF)(8) under suitable reaction conditions. We have partially substituted Co in place of Mn in the Mn-3 trimer clusters forming CoMn2(C14H8O6S)(3)(DMA)(2)(EtOH)]center dot DMA, III, a structure that is closely related to IIa. All the compounds reveal antiferromagnetic behavior. On heating, the cobalt substituted phase (compound III) forms a CoMn2O4 spinel phase with particle sizes in the nanometer range.

Cadmium Sulfide Nanocrystal Sensitized Vertically Aligned Titanium Dioxide Rods for Large Area Image Sensors on 3-D Substrates

We discuss here a semiconductors assembly comprising of titanium dioxide (TiO2) rods sensitized by cadmium sulfide (CdS) nanocrystals for potential applications in large area electronics on three dimensional (3-D) substrates. Vertically aligned TiO2 rods are grown on a substrate using a 150 degrees C process flow and then sensitized with CdS by SILAR method at room temperature. This structure forms an effective photoconductor as the photo-generated electrons are rapidly removed from the CdS via the TiO2 thereby permitting a hole rich CdS. Current-voltage characteristics are measured and models illustrate space charge limited photo-current as the mechanism of charge transport at moderate voltage bias. The stable assembly and high speed are achieved. The frequency response with a loading of 10 pF and 9 M Omega shows a half power frequency of 100 Hz. (C) 2015 The Electrochemical Society. All rights reserved.

铒离子浓度对掺Er^3＋碲酸盐玻璃的Judd-Ofelt理论参数的影响

制备了四种不同铒离子掺杂浓度的碲酸盐玻璃，通过测定吸收光谱计算了吸收谱线的振子强度，根据Judd-Ofelt理论计算了不同浓度下Er^3＋离子发光光谱的强度参数Ω（i=2，4，6），计算了自发辐射电偶和磁偶跃迁概率、辐射寿命、荧光分支比等参数，讨论了Er^3＋离子浓度变化对以上这些参数的影响。测试了Er^3＋：^4I13／2→^4I15／2跃迁对应的荧光光谱和Er^3＋：^4I13／2能级荧光寿命。最后应用McCumber理论计算了玻璃中Er^3＋：^4I13／2→^4I15／2跃迁对应的受激发射截面大小

Effect of bismuth oxide on the thermal stability and Judd-Ofelt parameters of Er 3(+)/Yb3(+) co-doped aluminophosphate glasses

The Er3+/Yb3+ co-doped glasses with compositions of xBi(2)O(3)-(65-x)P2O5-4Yb(2)O(3)-11Al(2)O(3)-5BaO-15Na(2)O (where x = 0, 2.5, 5, 7.5 and 10 mol%) were prepared using the normal melt quench technique. The optical absorption spectra of the glasses were recorded in the wavelength range 300-1700 nm. The effect of Bi2O3 content on the thermal stability and absorption spectra of glasses was investigated. In addition, the Judd-Ofelt parameters and oscillator strengths were calculated by employing Judd-Ofelt theory. It was observed that the positions of the fundamental absorption edge and cut-off wavelength shifted towards red as the content of Bi2O3 increased. However, there were no red shifts found both in the peak wavelength and in the center of mass wavelength of all absorption bands with Bi2O3 content increasing. The results of Judd-Ofelt theory analysis showed that Judd-Ofelt parameters Omega(t), (t = 2, 4, 6) changed sharply when Bi2O3 concentration exceeded 5 mol%. The variation trends of experimental oscillator strength were similar with those of Judd-Ofelt parameters as function of Bi2O3 concentrations. Moreover, differential scanning calorimetry experiments showed that the increases of Bi2O3 content weakened the network structure and then lowered the thermal stability of the glasses. The spontaneous emission probability A(rad), branching ratio beta and the radiative lifetime tau(rad) were also calculated and analyzed. The stimulated emission cross-section of Er3+ was calculated according to the McCumber theory. It was found that the stimulated emission cross-section of Er3+ was monotonically increases with Bi2O3 content increasing. (C) 2006 Elsevier B.V. All rights reserved.

高浓度掺Er^3＋铌酸锂晶体的光谱参数计算

用提拉法成功地生长了6mol％的高浓度掺铒铌酸锂晶体。测量了晶体的两个非偏振方向（X和Z）以及两个偏振方向（π和δ）的吸收光谱。高浓度掺铒铌酸锂晶体的吸收系数高，有利于提高泵浦效率。根据所测的吸收光谱用Judd-Ofelt理论拟合出了Er^3＋离子的强度参数Ωλ。所得的均方差结果显示偏振拟合的误差要小于非偏振拟合。利用偏振吸收数据计算了各能级跃迁的自发辐射跃迁几率（AJJ’）、辐射寿命（τ）、荧光分支比（β）和积分发射截面（σp）等参数，对计算结果进行了讨论并与其他文献的报道结果进行了比较。

Investigation of the spectroscopic properties of (Y0.92-xLa0.08Ndx)(2)O-3 transparent ceramics

The spectroscopic properties of (Y0.92-xLa0.08Ndx)(2)O-3 transparent ceramics were investigated. According to three intensity parameters (Omega(2),Omega(4),Omega(6)) fitted by the Judd-Ofelt theory, the spectroscopic quality parameter (X-Nd), branching ratio (beta(J,J')), and quantum efficiency (eta) of Nd3+ were determined. It was found that X-Nd of the host, owing to the additive La2O3, was decreased from 1.6 to 0.46; thus beta(J,11/2) was increased from 46% to 56.82%. A figure of merit of the specimens was discussed and compared with Nd:YAG transparent ceramic. (c) 2007 Optical Society of America.

Spectroscopic properties of Nd3+:(La,Sr)(Al,Ta)O-3 crystal

A new laser crystal Nd3+:(La, Sr)(Al, Ta)O-3 (abbreviated as Nd3+:LSAT) has been grown by the conventional Czochralski method. The absorption and luminescence spectra of trivalent neodymium in Nd3+:LSAT crystal were measured at room temperature. The value of absorption and emission cross-section was calculated. The Judd-Ofelt analysis was applied to the crystal to get the phenomenological parameters (Omega(i), i = 2,4,6), the line strengths, the radiative transition rates, the branching ratios and the radiative lifetime. (C) 2006 Elsevier B.V. All rights reserved.

Judd-Ofelt analysis of spectra and experimental evaluation of laser performance of Tm3+ doped Lu2SiO5 crystal

This paper reports that the TM3+:Lu2SiO5 (Tm:LSO) crystal is grown by Czochralski technique. The room-temperature absorption spectra of Tm:LSO crystal are measured on a b-cut sample with 4 at.% thulium. According to the obtained Judd-Ofelt intensity parameters Omega(2)=9.3155 x 10(-20) cm(2), Omega(4)=8.4103 x 10(-20) cm(2), Omega(6)=1.5908 x 10(-20) cm(2), the fluorescence lifetime is calculated to be 2.03 ms for F-3(4) -> H-3(6) transition, and the integrated emission cross section is 5.81 x 10(-18) cm(2). Room-temperature laser action near 2 mu m under diode pumping is experimentally evaluated in Tm:LSO. An optical-optical conversion efficiency of 9.1% and a slope efficiency of 16.2% are obtained with continuous-wave maximum output power of 0.67 W. The emission wavelengths of Tm:LSO laser are centred around 2.06 mu m with spectral bandwidth of similar to 13.6 nm.

Copolymerizations of ethylene with alpha-olefin-omega-ols by highly active vanadium(III) catalysts bearing [N,O] bidentate chelated ligands

The copolymerizations of ethylene with polar hydroxyl monomers such as 10-undecen-1-ol, 5-hexen-1-ol and 3-buten-1-ol were investigated by the vanadium(III) catalysts bearing bidentate [N,O] ligands (1, [PhN=C(CH3)CHC(Ph)O]VCl2(THF)(2): 2, [PhN=CHC6H4O]VCl2(THF)(2); 3, [PhN=CHC(Ph)CHO]VCl2(THF)(2)). The polar monomers were pretreated by alkylaluminum before the polymerization. High catalytic activities and efficient comonomer incorporations can be easily obtained by changing monomer masking reagents and polymerization conditions in the presence of diethylaluminium chloride as a cocatalyst. The longer the spacer group, the higher the incorporation of the monomer. Under the mild conditions, the incorporation level of 10-undecen-1-ol reached 13.9 mol% in the resultant copolymers was obtained. The reactivity ratios of copolymerization (r(1) = 41.4, r(2) = 0.02, r(1)r(2) = 0.83) were evaluated by Fineman-Ross method. According to C-13 NMR spectra, polar units were located both on the main chain and at the chain end.