Synthesis,Crystal Structure,and Antibacterial Activity of 1,2,4‐Triazoles and 1,2,4‐Triazol‐3‐one

A straightforward method has been developed for the synthesis of 1,2,4‐triazol‐3‐one 3 and 1,2,4‐triazoles 6a , 6b , 6c , 6d starting from N¹‐substituted‐N¹‐tosylhydrazonates 2 and hydrazine monohydrate. This methodology affords a number of 1,2,4‐triazol‐3‐one 3 and 1,2,4‐triazoles 6a , 6b , 6c , 6d in reasonable yields. The structures of all new compounds were elucidated using infrared, ¹H and ¹³C NMR, high‐resolution mass spectrometry, elemental analysis, and the X‐ray crystallography (for compounds 3 and 6a ). Some of the newly synthesized compounds were screened for their antibacterial activity.     

Algorithms for fully automated three-dimensional particle tracking velocimetry

A three-dimensional Particle Tracking Velocimetry (3-D PTV) technique has been developed to provide time-resolved, three-dimensional velocity field measurements throughout a finite volume. This technique offers many advantages for fundamental research in turbulence and applied research in areas such as mixing and combustion. The data acquired in 3-D PTV is a time sequence of stereo images of flow tracer particles suspended in the fluid. In this paper, the implementation of the technique is discussed in detail, as well as the results of an extensive statistical investigation of the performance of the algorithms. The technique has been optimized to allow fully automatic processing of long sequences of image pairs in a computationally efficient manner, hereby providing a viable, practical tool for the study of complex flows.List of symbols x, y, z Particle position - u, v, w Particle velocity This work was supported by a grant from Ford Motor Company, Powertrain Research Department. Their support is gratefully acknowledged.     

Synthesis,Antibacterial, and Antifungal Activities of Imidazo[2,1-c][1,2,4]triazoles and 1,2,4-Triazolo[4,3-a]pyrimidinones

A straightforward method has been developed for the synthesis of 1-phenyl-imidazo [2,1-c][1,2,4]triazole derivatives 5a–j and 1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidinones derivatives 6a–g starting from 5-amino-1-phenyl[1,2,4]triazole and p-toluenesulfonic acid (PTSA). This methodology affords a number of 1-phenyl-imidazo [2,1-c][1,2,4]triazoles 5a–j and 1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidinones 6a–g in reasonable yields and short reaction times. The structures of all new compounds were elucidated using infrared, ¹H and ¹³C NMR, and high-resolution mass spectrometry. Some of the newly synthesized compounds were screened for their antimicrobial activity.

[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications ^® for the following free supplemental resource(s): Full experimental and spectral details.]     

Polymorphism in 3‐acetyl‐4‐hydroxy‐2H‐chromen‐2‐one

A new polymorph (denoted polymorph II) of 3‐acetyl‐4‐hydroxy‐2H‐chromen‐2‐one, C₁₁H₈O₄, was obtained unexpectedly during an attempt to recrystallize the compound from salt–melted ice, and the structure is compared with that of the original polymorph (denoted polymorph I) [Lyssenko & Antipin (2001). Russ. Chem. Bull. 50 , 418–431]. Strong intramolecular O—H...O hydrogen bonds are observed equally in the two polymorphs [O...O = 2.4263 (13) Å in polymorph II and 2.442 (1) Å in polymorph I], with a slight delocalization of the hydroxy H atom towards the ketonic O atom in polymorph II [H...O = 1.32 (2) Å in polymorph II and 1.45 (3) Å in polymorph I]. In both crystal structures, the packing of the molecules is dominated and stabilized by weak intermolecular C—H...O hydrogen bonds. Additional π–π stacking interactions between the keto–enol hydrogen‐bonded rings stabilize polymorph I [the centres are separated by 3.28 (1) Å], while polymorph II is stabilized by interactions between α‐pyrone rings, which are parallel to one another and separated by 3.670 (5) Å.     

Purification and Biochemical Characterization of a Highly Thermostable Xylanase from <Emphasis Type="Italic">Actinomadura</Emphasis> sp. Strain Cpt20 Isolated from Poultry Compost

An extracellular thermostable xylanase from a newly isolated thermophilic Actinomadura sp. strain Cpt20 was purified and characterized. Based on matrix-assisted laser desorption–ionization time-of-flight mass spectrometry analysis, the purified enzyme is a monomer with a molecular mass of 20,110.13 Da. The 19 residue N-terminal sequence of the enzyme showed 84% homology with those of actinomycete endoxylanases. The optimum pH and temperature values for xylanase activity were pH 10 and 80 °C, respectively. This xylanase was stable within a pH range of 5–10 and up to a temperature of 90 °C. It showed high thermostability at 60 °C for 5 days and half-life times at 90 °C and 100 °C were 2 and 1 h, respectively. The xylanase was specific for xylans, showing higher specific activity on soluble oat-spelt xylan followed by beechwood xylan. This enzyme obeyed the Michaelis–Menten kinetics, with the K _m and k _cat values being 1.55 mg soluble oat-spelt xylan/ml and 388 min⁻¹, respectively. While the xylanase from Actinomadura sp. Cpt20 was activated by Mn²⁺, Ca²⁺, and Cu²⁺, it was, strongly inhibited by Hg²⁺, Zn²⁺, and Ba²⁺. These properties make this enzyme a potential candidate for future use in biotechnological applications particularly in the pulp and paper industry.     

Crystal structure,Hirshfeld surface analysis,Thermal study and Conduction mechanism of [(C4H9)4P]3Bi2Cl9 compound

A novel tris (tetrabutylphosphonium) nonachlorodibismuthate (III) compound has been synthesized and characterized by a single‐crystal X‐ray diffraction, calorimetric, IR spectroscopy and electrical measurements. X‐ray diffraction analysis at room temperature reveals that the title compound belongs to the monoclinic system with P2₁/c space group. The unit cell dimensions are: a = 19.201(6) Å, b = 16.743 (5) Å, c = 22.396 (8) Å, β = 98.96 (2)° and Z = 4. The crystal structure was solved down to R equal to 0.035 for 5597 independent reflections. The crystal package is provided by electrostatic interactions and hydrogen bonds (C‐H ^…. Cl). Intermolecular interactions present in the grown single crystal were analyzed by Hirshfeld surface and 2‐dimensional fingerprint plot. The differential scanning calorimetry reveals one order–disorder phase transition at 400 ± 5 K.The electrical conductivity were carried out in the frequency range 200 Hz–1 MHz at various temperatures 343–413 K using impedance spectroscopy technique. The obtained results were analyzed by fitting the experimental data to an equivalent circuit model. The temperature dependence of alternating and direct current conductivities confirms the observed phase transition in the calorimetric study; they were described in terms of Arrhenius relation. AC conductivity measurements reveal that the conduction depends on both frequency and temperature, this agrees well with Correlated Barrier Hopping model in phase I and II.     

Influences of Marangoni convection and variable magnetic field on hybrid nanofluid thin-film flow past a stretching surface

Investigations on thin-film flow play a vital role in the field of optoelectronics and magnetic devices. Thin films are reasonably hard and thermally stable but quite fragile. The thermal stability of a thin film can be further improved by incorporating the effects of nanoparticles. In the current work, a stretchable surface is considered upon which hybrid nanofluid thin-film flow is taken into account. The idea of augmenting heat transmission by making use of a hybrid nanofluid is a focus of the current work. The flow is affected by variations in the viscous forces, along with viscous dissipation effects and Marangoni convection. A time-constrained magnetic field is applied in the normal direction to the flow system. The equations governing the flow system are shifted to a non-dimensional form by applying similarity variables. The homotopy analysis method is employed to find the solution to the resultant equations. It is noticed in this study that the flow characteristics decline with augmentation of magnetic, viscosity and unsteadiness parameters while they increase with enhanced values of thin-film parameters. Thermal characteristics are supported by increasing values of the Eckert number and the unsteadiness parameter and opposed by the viscosity parameter and Prandtl number. The numerical impact of different emerging parameters upon skin friction and the Nusselt number is calculated in tabular form. A comparison of current work with established results is carried out, with good agreement.     

α- to β-[C6H4(NH3)2]2Bi2I10 reversible solid-state transition, thermochromic and optical studies in the p-phenylenediamine-based iodobismuthate(III) material

α-[C₆H₄(NH₃)₂]₂Bi₂I₁₀, which is a new material containing low-dimensional iodobismuthate anions, was synthesized and through its single crystal X-ray diffraction measurements, was proven to crystallize at room temperature in the centrosymmetric space group P2₁/c. It consists of a p-phenylenediammonium dication and a discrete (0-D) anion built up of edge-sharing bioctahedron. Due to the hydrogen bonds and the interatomic distances (Bi-I, I?I and π-π) changes, α-phase was transformed into the corresponding centrosymmetric β-phase, β-[C₆H₄(NH₃)₂]₂Bi₂I₁₀, through a single-crystal to single-crystal transformation occurring upon cooling to −28/−26 °C. Below the transition temperature, β-[C₆H₄(NH₃)₂]₂Bi₂I₁₀ crystallizes in the monoclinic system, centrosymmetric space group P2₁/n. Besides, the optical transmission measurements on α-[C₆H₄(NH₃)₂]₂Bi₂I₁₀ thin films have revealed two absorption bands at 2.47 and 3.01 eV. Finally, two room temperature photoluminescence emissions attributed to excitons radiative recombinations confined within the bioctahedra Bi₂I₁₀⁴⁻, were observed in the red spectral range at 1.9 and 2.05 eV energy.     

Synthesis,crystal structure,dielectric properties,and AC conductivity of tri-tetrapropylammonium dodeca chlorobismuthate(III)

The new organic–inorganic compound, tri-tetrapropylammonium dodeca chlorobismuthate(III), has been synthesized and characterized by single-crystal X-ray diffraction at room temperature. It is crystallized in the triclinic system ( $ \mathrm{P}\overline{1} $ space group). The atomic arrangement can be described by an alternation of two types of organic–inorganic layers stacked in [010] direction. The nature of the inorganic polyhedra distortion which can be attributed to the stereo activity of the Bi(III) lone electron pair has been studied. Regarding the differential scanning calorimetry, it disclosed one structural phase transition at T?=?423 (±5)?K of the order–disorder type. Furthermore, the dielectric properties of the compound were studied using complex impedance spectroscopy in the frequency range 209 Hz–5 MHz and temperature range 368–458 K. The frequency-dependent AC conductivity is well described by Jonscher’s universal power law. The nature of DC conductivity variation suggests Arrhenius type of electrical conductivity.