UV spectral characterization of a smectic-C liquid crystal: Theoretical support to the experiment

In the present article, UV spectral characterization of a smectic-C liquid crystal 4,4′-bis(n-alkoxy)azoxybenzene (n = 14) (C₄₀H₆₆N₂O₃) has been carried out. Structure of the molecule has been optimized using the Density functional B3LYP with 6-31+G (d) basis set using crystallographic geometry as input. The absorption spectra have been estimated in the UV region by employing the DFT method, semiempirical CNDO/S and INDO/S parameterizations. The oscillator strength (f) and vertical transition energy (E_V) have been reported corresponding to absorption wavelength (λ_max). These values have been compared with the experimental value reported in the literature to offer theoretical support to the experimental value. Further, some electrochemical properties have been reported for the molecule.     

Synthesis and Biological Evaluation of Novel Tetracyclic Benzothiazepines

6-Arylidene-2,3-dimethyl-6,7,8,9-tetrahydro-benzocyclohepten-5-one 2a–l were obtained by the condensation of 2,3-dimethyl/3-methyl benzocyclohepten-5-one 1 with appropriate aromatic aldehydes, and upon condensation with 2-aminothiophenol in ethyl alcohol yielded 1,5-benzothiazepine derivatives 3a–l, respectively. Compounds 3d and 3h were found to possess antimicrobial activity when tested against B. Subtilis. Compounds 3i and 3j were found to possess moderate anti-inflammatory activity. Compound 3b was found to possess comparable antifungal activity when compared to clotrimazole against Trichomonas species.

Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.     

Synthesis and Characterization of Ferrocene Derived Cyclic Carbaphosphazenes

Dialkylamino substituted cyclic carbaphosphazenes, (R 2 NCN) 2 (NPCl 2 ) were prepared and reacted with the ferrocene derived hydroxymethyl phosphine sulfide FcCH(CH 3 )P(S)(CH 2 OH) 2 after dilithiation to yield a series of new spirocyclic derivatives of cyclic carbaphosphazenes having ferrocenyl pendant groups. To confirm the formation of six membered spirocycles and to compare their spectral features, transesterification reactions of FcCH(CH 3 )P(S)(CH 2 OH) 2 also were carried out with P(NR 2 ) 3 , yielding the six membered heterocycles FcCH 2 P(S)(CH 2 O) 2 PNR 2 (R = Me, Et). The compounds were characterized by 1 H, 31 P, 13 C NMR, mass spectra, and elemental analysis.     

Modeling Diffusion in Foamed Polymer Nanocomposites

Two‐way multicomponent diffusion processes in polymeric nanocomposite foams, where the condensed phase is nanoscopically reinforced with impermeable fillers, are investigated. The diffusion process involves simultaneous outward permeation of the components of the dispersed gas phase and inward diffusion of atmospheric air. The transient variation in thermal conductivity of foam is used as the macroscopic property to track the compositional variations of the dispersed gases due to the diffusion process. In the continuum approach adopted, the unsteady‐state diffusion process is combined with tortuosity theory. The simulations conducted at ambient temperature reveal distinct regimes of diffusion processes in the nanocomposite foams owing to the reduction in the gas‐transport rate induced by nanofillers. Simulations at a higher temperature are also conducted and the predictions are compared with experimentally determined thermal conductivities under accelerated diffusion conditions for polyurethane foams reinforced with clay nanoplatelets of varying individual lamellar dimensions. Intermittent measurements of foam thermal conductivity are performed while the accelerated diffusion proceeded. The predictions under accelerated diffusion conditions show good agreement with experimentally measured thermal conductivities for nanocomposite foams reinforced with low and medium aspect‐ratios fillers. The model shows higher deviations for foams with fillers that have a high aspect ratio.     

Interaction of Metal–Dipeptide Complex with Ninhydrin in the Absence and Presence of Conventional CTAB Surfactant

The present work is aimed at studying the interaction between copper-glycyltyrosine [(Cu(II)-Gly-Tyr)]⁺ and ninhydrin in water and in micelles formed by cetyltrimethylammonium bromide (CTAB) using spectrophometric measurements at 80°C and pH 5.0. The order of reaction remains the same in the two systems, that is, first- and fractional-order kinetics with respect to [Cu(II)-Gly-Tyr]⁺ and [ninhydrin], respectively, in the excess of ninhydrin over [Cu(II)-Gly-Tyr]⁺. It was observed that the product formed is same in both the media. The reaction is catalyzed by CTAB, and the maximum rate enhancement is about three fold. Quantitative kinetic analysis of k_ψ–[CTAB] data was explained in terms of pseudo-phase of the micelles (assuming the association/incorporation of both the reactants at the micellar surface).     

经Opuntia dilenii haw植物提取液绿色合成制备的纳米铝酸锌的催化性质(英文)

Various nanosized zinc aluminate(ZnAl2O4) samples were prepared by a conventional and a mi- crowave method both with and without using Opuntia dilenii haw plant extract,and were charac- terized by X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FT-IR),high resolution scanning electron microscopy(HRSEM),energy dispersion scanning(EDX),temperature dependent conductance measurements, thermoelectric power measurements, ultraviolet-visible (UV-Vis) diffuse reflectance spectroscopy,and photoluminescence spectroscopy.The formation of a pure ZnAl2O4 phase was confirmed by XRD and FT-IR.A change in morphology from nanosized plates to nanosized sheets with,respectively,the conventional and microwave heating methods was clearly shown by HRSEM.UV-Vis diffusion reflectance spectroscopy measured the band gaps of ZnAl2O4 nanosized plates and nanosized sheets as 3.5 and 3.9 eV,respectively.The synthesized ZnAl2O4 was single crystalline and has three photoluminescence emissions at 482,528,and 540 nm.ZnAl2O4 nanosized sheets prepared by the microwave method showed higher catalytic activity for the oxida- tion of benzyl alcohol(85% conversion) than ZnAl2O4 nanosized plates prepared by the convention- al method(60% conversion).     

Thermoluminescence studies of UV-irradiated Y2O3:Eu3+ doped phosphor

The present paper reports thermoluminescence (TL) glow curves of Eu³⁺-doped Y₂O₃ phosphor with different ultraviolet (UV) exposure times. The glow peak shows second-order kinetics of Eu³⁺-doped Y₂O₃, and corresponding kinetic parameters were evaluated using the peak shape method. Calculations of trap depth were carried out using different methods. The kinetics order, activation energy, and frequency factor were calculated. The recorded glow curve shifts towards higher intensity with longer UV exposure. The heating rate used for recording TL was 3.0 °C s^?1. Particle size and structure were verified by X-ray diffraction (XRD) pattern and morphology by scanning electron microscopy (SEM) imaging.     

Study of the Interaction Between Promazine Hydrochloride and Surfactant (Conventional/Gemini) Mixtures at Different Temperatures

In the present paper, the micellization of an amphiphilic drug, promazine hydrochloride, and gemini surfactants (16-s-16) with s = 4–6 and the monomeric hexadecyltrimethylammonium bromide (CTAB) counterparts has been examined conductometrically in the pure and mixed states in aqueous solutions at different compositions and temperatures (298.15–308.15 K). Dicationic gemini surfactants provide much better environment for the micellization behavior than the corresponding monocationic counterpart CTAB. The critical micelle concentration (cmc) values are lower than the cmc for ideal mixing, cmc ^id, suggesting attractive interactions between the two components in mixed micelles. The micellar mole fractions of surfactants, evaluated by different models, show greater contributions of surfactants in mixed micelles and increase with increasing concentrations of these surfactants. The negative values of β suggest synergism in the mixtures, which is highly beneficial as it reduces the total amount of surfactants required in a particular application, leading to reductions of cost and environmental impact. Activity coefficients (f ₁ and f ₂) are always less than unity showing nonideality in the systems. The data have been also used for evaluation of thermodynamic parameters.     

Total synthesis of (6Z,9S)-3,4-trans-9-hydroxy-3-methyldodec-cis-6-en-4-olide and (6Z)-3,4-trans-9-oxo-3-methyldodec-cis-6-en-4-olide γ-butyrolactones

The first total synthesis of (6Z,9S)-3,4-trans-9-hydroxy-3-methyldodec-cis-6-en-4-olide and (6Z)-3,4-trans-9-oxo-3-methyldodec-cis-6-en-4-olide was achieved in a convergent pathway. The salient features of our synthesis include Ohira–Bestmann reaction, regioselective alkyne addition to terminal epoxide, TEMPO/BAIB mediated oxidative lactonization, and partial hydrogenation.