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Thiazolo[3,2-a]pyrimidines namely ethyl 2-acetyl-5-(2-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3a, ethyl 2-acetyl-5-(3-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3b, and ethyl 2-acetyl-5-(4-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3c were obtained by one pot synthesis using substituted 3,4 dihydropyrimidine2-thione (1a–1c) and 3-chloro-2,4-pentanedione in ethanol and characterized by single-crystal X-ray diffraction. The variation in the position of fluorine atom on pyrimidine nucleus and insight into the self-assembly of compounds with varied types of non-covalent interactions has great influence on crystal packing. [ABSTRACT FROM AUTHOR]

Assuming plane strain conditions and taking phase transformations into account, finite element analysis was carried out using a bead-by-bead deposition model as well as two different lumped models. The effects of post-weld heat treatment at 600 °C were also studied. Predicted residual stresses were verified using X-ray diffraction method. While both bead-by-bead and lumped models were found to overestimate the maximum residual stress in as-welded condition, the latter facilitated a safer upper-bound estimate of the residual stress. The net tensile stress in the weld metal was found to decrease as a result of solid-state transformation of austenite to ferrite. Further, a significant part of stress relief was found to occur in the first half hour of the holding time during post-weld heat treatment. A formula was developed for estimating the maximum residual stress in post-weld heat treated condition. [ABSTRACT FROM AUTHOR]

Oxygen-deficient and charge- imbalanced polycrystalline materials of three-layered Auruvillius compound, namely Sr2Bi2Nb3O12(SBN), was synthesized by Sol-Gel method. X-ray diffraction analysis was made on SBN and lattice parameters were calculated. Electrical impedance and Pyroelectric measurements were performed on SBN. The broad peak observed in the dielectric permitivity data indicates that the transition is diffused phase transition (DPT) and the modified Curie-Weiss law was used to describe the DPT of SBN. The sharp intensity peak observed at 176 and 219 cm−1in Raman spectra is an indicative of Sr-O-Sr and Sr-O-Bi bonds and its competitive interactions. The peaks of FTIR spectra appeared at 610 cm−1confirmed the same. The nature of difffused type was attributed to compositional heterogenity and the results were corroborated with the log-log spectroscopic plots of impedance,modulus and permitivity for better understanding of the disorder ferroelectric behavior of the sample. The broad semicircle behavior observed in the complex impedance aswell as modulus plot, associated with grain and grain boundary, confirm the same. [ABSTRACT FROM AUTHOR]

Abstract: Arsenic sulfide and arsenic selenide glasses, batched from elemental precursors in stoichiometric proportions, are synthesised in ≤35min via microwave heating in a domestic microwave oven (DMO). The DMO products are compared with the stoichiometric glasses made by conventional resistive furnace melting using: X-ray diffraction (XRD); transmission electron microscopy with selected area electron diffraction (TEM-SAED); analytical scanning electron microscopy; optical microscopy; differential thermal analysis (DTA); and Fourier transform infrared spectroscopy. From XRD and TEM-SAED, only part of the DMO As–S product is amorphous and exhibits up to three DTA glass transitions (T gs) showing that homogenisation has not taken place. In contrast, As40Se60 glass is readily prepared in the DMO and has similar properties to conventionally melted As40Se60 glass. Furthermore, the DMO As40Se60 glass can be patterned using hot embossing and drawn to fibre. [Copyright &y& Elsevier]

Ferroelectric Sr1−xBaxBi2(Nb0.5Ta0.5)2O9 and Sr0.5Ba0.5Bi2(Nb1−yTay)2O9 were synthesized by solid state reaction route. X-ray diffraction studies confirm the formation of single phase layered perovskite solid solutions over a wide range of compositions (x=y=0.0, 0.25, 0.50, 0.75 and 1). The lattice parameters and the Curie temperature (Tc) have been found to have linear dependence on x and y. Transmission electron microscopy (TEM) suggest the lowering of orthorhombic distortion with increasing Ba2+ substitution. Variations in microstructural features as a function of x and y were monitored by scanning electron microscopy (SEM). The dielectric constant at room temperature increases with increase in both x and y. Interestingly Ba2+ substitution on Sr2+ site induces diffused phase transition and diffuseness increases with increasing Ba2+ concentration. [Copyright &y& Elsevier]

Glasses of various compositions in the system (100 - x )Li 2 B 4 O 7 - x (SrO-Bi 2 O 3 -Nb 2 O 5 ) (10 ≤ x ≤ 60) (in molar ratio) were prepared via a conventional melt-quenching technique. The glassy nature of the as-quenched samples was established by Differential Thermal Analyses (DTA). X-ray powder diffraction (XRD) and Transmission Electron Microscopic (TEM) studies confirmed the amorphous nature of the as quenched and crystallinity in the heat-treated samples. The formation of nanocrystalline layered perovskite SrBi 2 Nb 2 O 9 (SBN) phase, in the samples heat-treated at temperatures higher than 550°C, through an intermediate fluorite phase in the LBO glass matrix was confirmed by both the XRD and High Resolution Transmission Electron Microscopy (HRTEM). The samples that were heat-treated at two different temperatures, 550 and 625°C, (containing 0.35 and 0.47 μm sized SBN crystallites) exhibited broad dielectric anomalies in the vicinity of ferroelectric to paraelectric transition temperature of the parent SBN ceramics. A downward shift in the phase transition temperature was observed with decreasing crystallite size of SBN. The observation of pyroelectric and ferroelectric properties for the present samples confirmed their polar nature. [ABSTRACT FROM AUTHOR]

Trivalent Al3+-doped samples of magnetite (Alx ${\mathrm {Fe}}_{3-x}\text{O}$ 4, $0.01\le x \le1.0$) were produced by wet chemical method. The X-ray diffraction studies confirmed the formation of a single-phase inverse spinel-type structure. Particles having spherical morphology and size range lying between 4 and 25 nm were observed during transmission electron microscopic investigation. Magnetic measurement displayed increase in saturation magnetization with a maximum value of ~62 $\text{A}\cdot \text{m}$ 2/kg for $x =0.1$ , and thereafter, it started decreasing with increased concentration of Al. The temperature during magnetic hyperthermia got stabilized near therapeutic range (~315 K) for the samples such as $x =0.01$ , 0.5, 0.7, and 1.0 at various external alternating current magnetic fields. [ABSTRACT FROM AUTHOR]

Cucurbiturils are magnificent macrocycles that are used as precise molecules for the fabrication of supramolecular chemotherapeutic agents through host-guest molecular recognition. In the present work, the host-guest complex of cucurbit[6]uril (CB[6]) with 5-fluorouracil (Flu, an anticancer drug) is synthesized and its structural study was carried out using UV, XRD, and TG/DTA techniques. The UV-Vis spectrum of the inclusion complex exhibited maximum absorbance with a blue shift at 302 nm whereas the maximum absorbance for free CB[6] was observed at 318 nm. This notable shift in wavelength proves the formation of the inclusion complex of CB[6] with fluorouracil. The host-guest complex of fluorouracil with CB[6] shows sharp endothermic peaks at 403.30C with a heat flow of -0.5 mW/mg the peak covers partially an area of 528.2 J/g, The large variations observed in the DSC curves of the complex compared with free host CB[6] confirm the formation of a stable host-guest complex. The XRD pattern of the host-guest complex is different from the parent compound and this reaffirms the formation of host-guest complex. The cytotoxic effect of 5-fluorouracil and the host-guest complex of CB[6] with fluorouracil on KB cells was determined by MTT assay and the cytotoxicity of anticancer drug Flu towards cancer cells significantly increases by encapsulating 5-fluorouracil into the hydrophobic cavity of CB[6], The ROS generation study was carried out by measurement of intracellular ROS using fluorescent and chemiluminescent probe. The ROS generation of anticancer drugs against cancer cells is significantly increased by encapsulating 5-fluorouracil into the hydrophobic cavity of CB[6], The inclusion complex of cucurbituril with fluorouracil treatment in KB cells showed higher anticancer potential than fluorouracil treatment in KB cells when compared to the control. The IC50 value of 5-flurouracil was found to be higher compared to the inclusion complex of cucurbituril with fluorouracil. The interesting results obtained, might open new avenues for the use of CB[6] host-guest complexes in anticancer and drug delivery studies. [ABSTRACT FROM AUTHOR]

Samarium modified SrBi4-xSmxTi4O15 (x = 0, 0.13, 0.43 and 0.78) ferroelectric ceramics of Aurivillius family were prepared by conventional solid state reaction method. X-ray diffraction studies confirm the formation of a single-phase. Microstructural images show randomly oriented palate-like structure. Broad dielectric peaks were found to obey the modified Curie-Weiss law. The overall inherent ferroelectric nature was explained on the basis of the Avrami model. Furthermore, with increasing the Sm3+ content, the grain morphology and diffusive parameters have shown a comprehending impact on the ferroelectric (hysteresis) behavior. [ABSTRACT FROM AUTHOR]

In the present study, lead-free piezoelectric (1-x)[(Bi 0.96 La 0.04 ) 0.5 Na 0.5 TiO 3 ]-(x)[Ba 0.90 Ca 0.10 TiO 3 ] ceramics with x ≤ 0.20 have been prepared at optimum temperature (950°C–1050 °C) by employing semi-wet technique. The effect of Ba 0.90 Ca 0.10 TiO 3 (BCT) content on the phase formation, surface morphology, dielectric and piezoelectric properties is systematically investigated and characterized by X-ray diffraction (XRD), Raman Spectroscopy, Field emission Scanning electron micrographs (FE-SEM), Impedance analyzer. XRD analysis shows phase transformation from rhombhohedral to tetragonal with the addition of BCT and the average grain size decreases with BCT content, x. Temperature dependent dielectric behavior exhibits two phase transitions, i.e. depolarization temperature; T d and phase transition temperature; T m . The phase transitions; T m tends to diffuse with increasing x and exhibited a broad frequency dependent maximum upto x ≤ 12. Optimum piezoelectric and dielectric properties (i.e., d 33 = 165 pC/N, k p = 39%, k t = 47% and k 33 = 57%, ε r = 1585, tan δ = 0.07) in the studied system have been obtained. [ABSTRACT FROM AUTHOR]

NiMnZnFeO ( x = 0.0-0.6) samples were synthesized using a combustion technique involving a mixture of hexamine and metal nitrate. XRD measurements confirmed the single-phase formation. The lattice parameters were found to increase gradually with increasing Mn substitution. The peak broadening observed for these ferrites indicates their nanocrystalline nature. FTIR spectra display two absorption bands which are characteristics of M-O stretching in tetrahedral and octahedral sites in the spinel lattice. SEM observations show that the particles occur as loose agglomerates. Lower DC resistivity values in the range of 10 to 10 Ωcm observed at room temperature suggests the protonic conductivity due to moisture trapped inside the pores. The resistivity was found to decrease with increasing Mn substitution at higher temperatures. AC susceptibility studies reveal the presence of clusters of both superparamagnetic and single-domain particles. Curie temperatures were found to decrease with increasing Mn concentration. The low dielectric losses of about 10 in the higher frequency region were observed. [ABSTRACT FROM AUTHOR]

Alloys of Fe-Si-B with varying compositions of Mn were prepared using high energy planetary ball mill for maximum duration of 120 h. X-ray diffraction (XRD) analysis suggests that Si gets mostly dissolved into Fe after 80 h of milling for all compositions. The residual Si was found to form an intermetallic FeSi. The dissolution was further confirmed from the field emission scanning electron microscopy/energy dispersive X-ray analysis (FE-SEM/EDX). With increased milling time, the lattice parameter and lattice strain are found to increase. However, the crystallite size decreases from micrometer (75-95 μm) to nanometer (10-20 nm). Mössbauer spectra analysis suggests the presence of essentially ferromagnetic phases with small percentage of super paramagnetic phase in the system. The saturation magnetization ( M), remanance ( M) and coercivity ( H) values for Fe-0Mn sample after 120 h of milling were 96.4 Am/kg, 11.5 Am/kg and 12.42 k Am, respectively. However, for Fe-10Mn-5Cu sample the M, H and M values were found to be 101.9 Am/kg, 10.98 kA/m and 12.4 Am/kg, respectively. The higher value of magnetization could be attributed to the favourable coupling between Mn and Cu. [ABSTRACT FROM AUTHOR]

The ultrathin channel in nanotube is an exciting host to encapsulate sub-nanometer size guest spices. The dynamics of confined C 60 s inside the nanoscale host tube have been investigated by various stimuli like e-beam irradiation, Ar-ion laser and Cu K α X-ray. It has been disclosed that the accelerating voltage of TEM higher than the threshold energies of the ballistic knockoff in carbon atoms can be used to understand the rotation of host species in the confined geometry. The radial breathing Raman mode of host SWCNTs has been studied to insight into the enhanced mobility of guest C 60 s at higher temperatures in the confined tube geometry of nanopeapod. We have highlighted the role of temperature as a function of kinetic energy of the confined C 60 s in SWCNTs and which leads to the reduction of stress in host–guest complex. The temperature-dependent XRD has been used to study the mobilities of C 60 molecules adsorbed onto the SWCNTs to move along the tube walls until they detect an opening to infuse in the confined space [ABSTRACT FROM AUTHOR]