New Symmetrical U- and Wavy-Shaped Supramolecular H-Bonded Systems; Geometrical and Mesomorphic Approaches.

New mesomorphic symmetrical 2:1 supramolecular H-bonded complexes of seven phenyl rings were prepared between 4-n-alkoxyphenylazobenzoic acids and 4-(2-(pyridin-3-yl)diazenyl)phenyl nicotinate. Mesomorphic studies of the prepared complexes were investigated using differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). Fermi bands of the formed H-bonded interactions were confirmed by FT-IR spectroscopy. Geometrical parameters for all complexes were performed using the density functional theory (DFT) calculations method. Theoretical results revealed that the prepared H-bonded complexes are in non-linear geometry with U-shaped and wavy-shaped geometrical structures; however, the greater linearity of the wavy-shaped compounds could be the reason for their stability with respect to the U-shaped conformer. Moreover, the stable, wavy shape of supramolecular H-bonded complexes (SMHBCs) has been used to illustrate mesomeric behavior in terms of the molecular interaction. The experimental mesomorphic investigations revealed that all complexes possess enantiotropic smectic C phase. Phases were confirmed by miscibility with a standard smectic C (SmC) compound. A comparison was constructed to investigate the effect of incorporating azophenyl moiety into the mesomeric behavior of the corresponding five-membered complexes. It was found that the addition of the extra phenylazo group to the acid moiety has a great increment of the mesophase stability (TC) values with respect to the monotropic SmC phase of the five aromatic systems to the high stable enantiotropic SmC mesophase.

Design, characterization, and adsorption properties of Padina gymnospora/zeolite nanocomposite for Congo red dye removal from wastewater.

A comprehensive study combined experimental, computational and field experiments was conducted to find out the most appropriate adsorbent system for industrial elimination of congo red (CR) dye from simulated industrial wastewater. Modification of the zeolite (Z) by the Padina gymnospora algae (PG) (Egyptian marine algae) was evaluated in terms of the adsorption capability of the zeolite (Z) to remove CR dye from aqueous solutions. The zeolite/algae composite (ZPG) was fabricated using the wet impregnation technique. Various techniques were used to characterize the PG, Z, and the produced ZPG nanocomposite. Batch experiments were performed to study the influence of various practical variables on adsorption processes. The isotherms and kinetics of dye adsorption were also studied. The newly synthesized ZPG nanocomposite exhibits much higher adsorption capacity, especially at low CR concentrations than that of Z. The computational calculations have shown that owing to the presence of intermolecular interactions, the adsorption of the CR molecule on zeolite surfaces is exothermic, energetically favorable, and spontaneous. For all configurations, increasing the zeolite size does not have a noticeable impact on the adsorption energies. The experimental results revealed that the ZPG nanocomposite can be applied as an economical nanoadsorbent to eliminate anionic dyes from simulated industrial wastewater at low CR dye concentrations. The adsorption isotherm of dye onto Z, PG, and ZPG almost agreed with Langmuir isotherm and pseudo-second-order kinetics. The sorption mechanism was also evaluated using Weber's intra-particle diffusion module. Finally, the field experiments revealed optimistic results for the newly synthesized adsorbent in removing dyes from industrial wastewater with 82.1% efficiency, which in turn confirmed the foundation of new eco-friendly materials that aid in the reuse of industrial wastewater.