Volume 233, Issue 8

The interactions of ascorbic acid (AA) with urea were investigated by using the cyclic voltammetry, density functional theory, atoms in molecules and natural bond orbital analyses. The experimental and theoretical results show that the hydrogen bonds are formed between AA and urea, wherein the mainly interaction sites are the hydrogen atoms on enediol of AA and the oxygen atom on carbonyl of urea. The electrochemical behavior of AA was significantly affected by above interactions.

The binding of mercury (II) ion has been studied with egg protein at different pH values and temperatures by the polarographic technique. The binding data were found to be pH and temperature dependent. The intrinsic association constants (k) and the number of binding sites (n) were calculated from Scatchard plots and found tobe at the maximum at lower pH and at lower temperatures. The free energy change (ΔG°) of the combining sites were least at the higher pH and highest at the low pH; therefore, a lower temperature and lower pH offered more sites in the protein molecule for interaction with mercury (II) ions. Statistical effects seem to be more significant at lower mercury (II) ion concentrations, while at higher concentrations electrostatic effects and heterogeneity of sites are more significant.

Conductivity and fluorescence probe techniques have been employed to study the micellar behavior of bile salts i.e. sodium cholate (1–20 mmol⋅kg −1 ) and sodium deoxycholate (0.5–10.0 mmol⋅kg −1 ) in aqueous solutions of maltodextrin (0.0, 0.5, 1.1, and 1.6 mmol⋅kg −1 ) at different temperatures. The influence of maltodextrin on the micellization behavior of bile salts has been determined in terms of critical micelle concentration ( CMC ) values obtained from conductivity measurement. The variation in CMC values has been discussed by considering the alteration in the hydrophobic environment of maltodextrin-sodium cholate/sodium deoxycholate complex imparted by the carbohydrate molecules. In order to substantiate the CMC values determined from conductivity method, the fluorescence probe study of aqueous sodium cholate and sodium deoxycholate solutions in presence of fluorescent, pyrene has also been carried. The CMC values obtained from both techniques are in full agreement with each other. Moreover, application of charged pseudo-phase separation model has been made to discuss the thermodynamics of the system.

Structurally different Molecules namely Pentoxifylline and Pralidoxim were chosen along with α -cyclodextrin and β -cyclodextrin to study host-guest inclusion phenomena. The formations of host guest inclusion complexes were confirmed by studying 1 H-NMR spectra, FT-IR spectra, apparent molar volume and viscosity co-efficient. The stabilities of inclusion complexes were compared calculating the binding constant from UV-VIS spectroscopic study. The 1:1 stoichiometry of the inclusion complexes were also determined by analysing the Jobs plot and surface tension data. The values for Gibbs’ free energy were found negative for both the processes. Based on all the above experiments the inclusion processes were found feasible for both the compounds. These types of inclusion complexes are of high interest in the field of research and industry as these are used as drug delivery systems.

The preset study was undertaken to determine solubility and solution thermodynamics of a novel anticancer drug baricitinib in some pharmaceutically used mono/pure solvents including “water, ethanol, polyethylene glycol-400 (PEG-400), ethyl acetate (EA), dichloromethane (DCM) and dimethyl sulfoxide (DMSO)” at “ T = 298.2 K to 323.2 K” and “ p = 0.1 MPa”. The solubility of baricitinib after equilibrium (saturation state) was analyzed spectrophotometrically by applying an isothermal technique. Characterization of solid phases of initial and equilibrated baricitinib was confirmed with the help of differential scanning calorimetry (DSC). Measured solubilities of baricitinib were regressed using “van’t Hoff and Apelblat models”. DSC spectra of baricitinib showed no change in physical state of baricitinib after equilibrium. Solubilities of baricitinib (as mole fraction) were estimated highest in DMSO (1.65 × 10 −1 ) followed by PEG-400 (1.42 × 10 −1 ), DCM (1.29 × 10 −3 ), ethanol (7.41 × 10 −4 ), EA (4.74 × 10 −4 ) and water (1.76 × 10 −4 ) at “ T = 323.2 K” and same tendencies were also noted at other temperatures studied. With the help of theoretical solubilities of baricitinib, activity coefficients were estimated. The estimated data of activity coefficients indicated higher molecular interactions in baricitinib-DMSO and baricitinib-PEG-400 as compared with baricitinib-water, baricitinib-EA, baricitinib-DCM and baricitinib-ethanol. Thermodynamic treatment of solubility values of baricitinib showed “endothermic and entropy-driven dissolution” of baricitinib in all pharmaceutically used solvents evaluated.

The main objective of this research work is to explore the complete and extensive rheological studies of cationic poly (3-acrylamidopropyl trimethyl ammonium chloride) P(APTMACl) hydrogel, prepared by free radical polymerization method at room temperature. Hydrogel was characterized by various techniques such as SEM, FTIR and TGA, whereas rheological properties of synthesized hydrogel were obtained using frequency sweep and frequency curve analysis in different temperature range. Storage modulus (G′) and loss modulus (G′′) were investigated as a function of angular frequencies and shear stress at various temperatures. Rheological models like Bingham plastic model, modified Bingham and Ostwald power law were applied to understand the rheological performance of the gels. Flow curves obtained at different temperatures indicate that P(APTMACl) hydrogel shows a non-Newtonian pseudo plastic behavior. All results concluded that rheology is a powerful tool to study the complete visco-elastic behavior of polymer hydrogel for multiple applications.

Hexagonal BaAl 2 O 4 catalyst has been prepared using a gamma-ray irradiation assisted polyacrylamide gel method. The catalysts synthesized at different calcining temperatures were analyzed to insight into their effects on the structural, crystalline, surface morphology, color, optical, fluorescence and photocatalytic properties of the hexagonal BaAl 2 O 4 catalyst. Increasing the calcining temperature has obvious influences on the crystallinity, color, optical properties and the formation of the hexagonal BaAl 2 O 4 catalyst. The optical energy gap (Eg) value of the hexagonal BaAl 2 O 4 catalyst increases with the increasing of calcining temperature. TEM image of the pure hexagonal BaAl 2 O 4 catalyst shows a morphology of flake structure and aggregation. Raman spectroscopy of the pure hexagonal BaAl 2 O 4 catalyst exhibits four luminescent background peaks at 400, 415, 428 and 445 nm mainly due to the oxygen vacancies (V O ), Ba vacancies (V Ba ) and some color centers exists in the BaAl 2 O 4 sample. A comparison of photocatalytic activity among samples for degradation of methylene blue (MB) dye indicates that the pure hexagonal BaAl 2 O 4 catalyst exhibits highest photocatalytic activity under the irradiation of both visible and ultraviolet light. Based on the fluorescence experiment, electrochemical and active species tests, the high photocatalytic activity of the pure hexagonal BaAl 2 O 4 catalyst to be related to hole (h + ) and hydroxyl radical (⋅OH) and also to the defects in the sample.

In the present study, we have deposited hierarchical flower-like microstructured zinc oxide (ZnO) thin films directly on a glass substrate by using the simplistic aqueous chemical route for different concentrations of triethanolamine (TEA) which acted like a complexing agent. The as-synthesized ZnO thin films were subsequently annealed at 300 °C and are characterized with characterization techniques such as X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), photoluminescence (PL), and electrical resistivity. The hexagonal wurtzite crystal structure of as-synthesized ZnO thin films was confirmed by their XRD patterns and the well-resolved ZnO flowers-like morphology was revealed from the FESEM micrographs. From FESEM images it can be seen that the ZnO flower is composed of dozens of nanorods originating from the same core in a symmetric fashion with an average diameter of around 180-300 nm. The flower-like morphology was obtained at 0.3 M TEA concentration. Due to its hierarchical structure, the deposited ZnO thin films were employed for multiple applications such as gas sensing and anti-microbial activity. The ZnO thin films with micro-flowers like morphology showed the maximum gas sensor sensitivity ∼64.50 at 150 °C for 100 ppm of NO 2 gas. Moreover, the bacteria were completely destroyed in the presence of as-deposited ZnO thin films.

This paper describes the adsorption of Mn 2+ ions from water with a mixture of wheat bran and Japanese medlar core shell (weight ratio of 30–70 wheat bran to Japanese medlar core shell) as low-cost adsorbent. Scanning Electron Microscope was used to characterize the adsorbent. The response surface methodology (RSM) that is usually approximated by a second-order regression model was employed to evaluate the effects of solution pH, initial Mn 2+ concentration, adsorbent weight and contact time on the removal ratio of the Mn 2+ ions. In this regard, the significant variables initial Mn 2+ ions concentration, pH, adsorbent weight and square pH were found based on the small P-value for the model coefficients. The predicted optimal conditions were also performed. In the process optimization, maximal value of the removal ratio of Mn 2+ was achieved as 96.91%. Additionally, this paper discusses the kinetic of adsorption in optimal conditions.