Electromechanical properties of single domain PZN–12%PT measured by three different methods

In this paper, we compare the electromechanical properties of tetragonal single domain PZN–12%PT single crystals obtained by different methods: resonance–antiresonance method, Brillouin scattering, and resonant ultrasound spectroscopy. The agreement between the different measurements is found satisfactory for many elastic constants within experimental uncertainties. Differences are notable for the elastic constants associated to the propagation of shear waves (c₆₆^E and c₄₄^E). This can be accounted for by imperfections of the sample in acoustic spectroscopy and specific difficulties of shear resonators used for the resonance method. Strong discrepancies are noted for the hardened elastic constant c₃₃^D associated to longitudinal waves propagating along the polarization direction; we suggest this can arise from a frequency dependence of the dielectric constant.     

Cation order-disorder in Pb(B,B)O3-related relaxors: The random-layer model investigated by Monte Carlo simulation

The charge-balanced random-layer model for ordered lead-based perovskites was investigated by using the standard Metropolis Monte Carlo method on a rigid lattice with simple ionic model. Our results show that in the structure formula Pb[B′]_1/2[B″]_1/2O₃, where all B″-sites are occupied by B^V cations, chemical order of B^II and B^V cations does exist in B′-sites and the ordered structure has an hexagonal symmetry. An order-disorder transition as a function of temperature is evidenced by an abrupt variation of both the heat capacity and a long-range order parameter. Finally, the evolution of the short-range order parameter versus temperature shows that a local order remains in B′-sites contrary to the charge-balanced random-layer model that suggests that B′-sites are randomly occupied. This local order could be helpful to clarify some experimental results.     

Antiproliferative Homoleptic and Heteroleptic Phosphino Silver(I) Complexes: Effect of Ligand Combination on Their Biological Mechanism of Action

A series of neutral mixed-ligand [HB(pz)₃]Ag(PR₃) silver(I) complexes (PR₃ = tertiary phosphine, [HB(pz)₃]⁻ = tris(pyrazolyl)borate anion), and the corresponding homoleptic [Ag(PR₃)₄]BF₄ compounds have been synthesized and fully characterized. Silver compounds were screened for their antiproliferative activities against a wide panel of human cancer cells derived from solid tumors and endowed with different platinum drug sensitivity. Mixed-ligand complexes were generally more effective than the corresponding homoleptic derivatives, but the most active compounds were [HB(pz)₃]Ag(PPh₃) (5) and [Ag(PPh₃)₄]BF₄ (10), both comprising the lipophilic PPh₃ phosphine ligand. Detailed mechanistic studies revealed that both homoleptic and heteroleptic silver complexes strongly and selectively inhibit the selenoenzyme thioredoxin reductase both as isolated enzyme and in human ovarian cancer cells (half inhibition concentration values in the nanomolar range) causing the disruption of cellular thiol-redox homeostasis, and leading to apoptotic cell death. Moreover, for heteroleptic Ag(I) derivatives, an additional ability to damage nuclear DNA has been detected. These results confirm the importance of the type of silver ion coordinating ligands in affecting the biological behavior of the overall corresponding silver complexes, besides in terms of hydrophilic–lipophilic balance, also in terms of biological mechanism of action, such as interaction with DNA and/or thioredoxin reductase.     

Synthesis,structural study,thermal, optical properties and characterization of the new compound [C_6H_7N_2O_2]_3TeCl_5·2Cl

The new organic-inorganic compound, [C_6H_7N_2O_2]_3TeCl_5·2Cl was synthesized and its structure was determined at room temperature in the triclinic system (P~-1) with the following parameters: a = 10.5330(11) ?, b = 10.6663(11) ?, c = 15.9751(16)?, α = 82.090(2)°, β = 71.193(2)°, γ = 68.284(2)°and Z = 2. The final cycle of refinement led to R = 0.057 and Rw = 0.149. The crystal structure was stabilized by an extensive network of N--H···Cl and non-classical C--H···Cl hydrogen bonds between the cation and the anionic group. Several thermal analysis techniques such as thermogravimetric analysis, differential scanning calorimetric analysis and evolved gas analysis were used. We used isoconversional kinetics methods to determine the kinetics parameters. We observe that the decomposition of [C_6H_7N_2O_2]_3TeCl_5·2Cl entails the formation hydrochloric acid of nitroaniline as volatiles. The infrared spectra were recorded in the4000–400 cm~(-1)frequency region. The Raman spectra were recorded in the external region of the anionic sublattice vibration 50–1500 cm~(-1). The optical band gap was calculated from the UV-Vis absorbance spectra using classical Tauc relation which was found to be 3.12 and 3.67 eV.     

Structural, vibrational and ab initio studies of L-histidine oxalate

Single crystals of L-histidine oxalate were obtained by slow evaporation of an aqueous solution at room temperature. The grown crystals have been subjected to X-ray diffraction (XRD), Infrared, and Raman spectroscopy. The title compound crystallises in the non-centrosymmetric space group P2(1)2(1)2(1,) the crystal cohesion is achieved by relatively strong hydrogen bonds, so that the NH3 groups show significant distortion with respect to the tetrahedral symmetry. Raman and infrared spectra of the title compound were recorded in the frequency range 300-3200 and 400-4000 cm-1, respectively. To obtain a reliable assignment of the observed spectral lines, we have calculated the geometry and the frequencies of the vibrational modes of histidine cation and the oxalate anion using the semi empirical PM3 method.     

Phase transitions and vibrational study of Rb2SeO4·Te(OH)6 and Rb1.12(NH4)0.88SO4·Te(OH)6

Calorimetry, conductivity, IR and Raman studies of the two ionic-protonic conductors Rb₂SeO₄·Te(OH)₆ (RbSeTe) and Rb_1.12(NH₄)_0.88SO₄·Te(OH)₆ (RNST) have been recorded and analyzed. These compounds crystallize in the monoclinic system, the space groups being, respectively, P2₁/c and P2₁/a for (RbSeTe) and (RNST) with four formula units in their unit cells.

The main feature of these atomic arrangements is the coexistence of two independent and different types of anions in the unit cell, connected by hydrogen bonds, which insure the cohesion of the crystalline edifice. Differential scanning calorimetry traces show three peaks for both the materials, corresponding to three phase transitions, at 430, 470 and 493 K for RbSeTe and at 418, 458 and 483?K for RNST.

A sudden surge in the temperature dependence of conductivity confirms the presence of the third transition, which is characterized by a high conductivity. The Raman spectra of these two materials were investigated in the range 295–600?K and IR spectra achieved at room temperature between 10 and 4000?cm^?1, confirm the presence of the phase transitions and show that anionic groups coexist independently in the same crystal.     

Synthesis, vibrational and optical properties of a new three-layered organic-inorganic perovskite (C4H9NH3)4Pb3I4Br6

An organic-inorganic hybrid perovskite (C₄H₉NH₃)₄Pb₃I₄Br₆ was synthesized and studied by X-ray diffraction, Raman and infrared spectroscopies, optical transmission and photoluminescence. The title compound, abbreviated (C₄)₄Pb₃I₄Br₆, crystallises in a periodic two-dimensional multilayer structure with P2₁/a space group. The structure is built up from alternating inorganic and organic layers. Each inorganic layer consists of three sheets of PbX₆ (X=I, Br) octahedra. Raman and infrared spectra of the title compound were recorded in the 100-3500 and 400-4000 cm⁻¹ frequency ranges, respectively. An assignment of the observed vibration modes is reported. Optical transmission measurements, performed on thin films of (C₄)₄Pb₃I₄Br₆, revealed two absorption bands at 474 and 508 nm. Photoluminescence measurements have shown a green emission peak at 519 nm.     

Finite element formulation for active functionally graded thin-walled structures

For the analysis and design process of smart structures with integrated piezoelectric patches, the finite element method provides an effective simulation approach. In this paper, an attempt on modeling and simulation of the behavior of hybrid active structures is carried out using developed Kirchhoff-type-four-node shell element.The finite element results are compared with reference solutions taking into account the electromechanical responses of smart structures with various geometries, and the results show very high agreement. The main aspect of the application of the proposed element is to predict the behavior of FGM shells containing piezoelectric layers. A set of numerical analyses is performed in order to highlight the applicability and effectiveness of the present finite element model, notably for smart FGM structures. A comprehensive parametric study is conducted to show the influence of material composition, the placement and the thickness of the piezoelectric layers on the deformation of the laminated structure.     

Screening for Astragalus hamosus Triterpenoid Saponins Using HPTLC Methods: Prior Identification of Azukisaponin Isomers

Due to their particular structural characteristics, the extraction and isolation of saponins from plants present a serious challenge. In this study, specific extraction protocols were first implemented to extract the secondary metabolites from Astragalus hamosus and, more precisely, the saponins. Subsequent purification of the extracts was based on a single chromatographic technique, high-performance thin-layer chromatography, applying two development systems: a one-step system that separated molecules according to their polarity and a multiple development system that made it possible to detect the triterpenoid saponins, azukisaponin or soyasapogenol at a retarded Rf of 0.2. The difficulties of detecting the Astragalus hamosus saponins encountered during the extraction and purification of the extracts have been highlighted and the strategy carried out to isolate the saponins has been discussed.