Theoretical investigation of adsorption of the gabapentin drug on the heteroborospherene

Structural Chemistry - This is an analysis report on the use of density functional theory (DFT) to investigate the potentials of pristine and amino acid–functionalized C4B32 borospherenes in...     

Biosynthesis of Pd/MnO2 nanocomposite using Solanum melongena plant extract and its application for the one‐pot synthesis of 5‐substituted 1H‐tetrazoles from aryl halides

In this work, for the first time, Solanum melongena plant extract was used for the green synthesis of Pd/MnO₂ nanocomposite via reduction osf Pd(II) ions to Pd(0) and their immobilization on the surface of manganese dioxide (MnO₂) nanoparticles (NPs) as an effective support. The synthesized nanocomposite were characterized by various analytical techniques such as Fourier transform infrared (FT‐IR), X‐ray diffraction (XRD), transmission electron microscopy (TEM), field emission scanning electron microscopy (FESEM), energy dispersive X‐ray spectroscopy (EDS) and UV–Vis spectroscopy. The catalytic activity of Pd/MnO₂ nanocomposite was used as a heterogeneous catalyst for the one‐pot synthesis of 5‐substituted 1H‐tetrazoles from aryl halides containing various electron‐donating or electron‐withdrawing groups in the presence of K ₄ [Fe (CN) ₆ ] as non‐toxic cyanide source and sodium azide. The products were obtained in good yields via a simple methodology and easy work‐up. The nanocatalyst can be recycled and reused several times with no remarkable loss of activity.     

Switching from linear to cyclic δ‐Polyvalerolactone synthesized via zeolitic imidazolate framework as a catalyst: A promising approach

A series of spray dried zeolitic imidazolate frameworks (ZIFs = ZIF‐8, ZIF‐67, and Zn/Co‐ZIF) are used as a catalyst for the bulk ring‐opening polymerization of δ‐valerolactone without any co‐catalyst to generate polyvalerolactone. Interestingly, using the same catalyst under the same reaction conditions could manipulate the structure of the product polymer, and thus its physical properties. Thus, using a dried substrate leads to the formation of the cyclic polymer while a linear polymer was formed on using the commercially available substrate. An activated monomer mechanism has been suggested where the propagating zinc alkoxide undergoes an intramolecular transesterification to release cyclic or linear polyvalerolactone. The ROP of δ‐VL without drying shows that the polymeric zwitterions have little tendency to cyclize in the presence of moisture. At 140 °C, ZIF‐8 shows a superior catalytic activity resulting in the production of cyclic polyvalerolactone having a high molecular weight as compared to ZIF‐67 or Zn/Co‐ZIF due to the presence of highly active sites. The catalyst could be recycled and reused without any significant loss of catalytic activity.     

Application of ion-imprinted polymer synthesized by precipitation polymerization as an efficient and selective sorbent for separation and pre-concentration of chromium ions from some real samples

In this study, a new Cr(III)-imprinted polymer (Cr(III)-IIP) is prepared from CrCl₃·6H₂O, methacrylic acid functional monomer, ethyleneglycoldimethacrylate cross-linking agent, 2,2?-azobisisobutyronitrile radical initiator and 2,2-(azanediylbis (ethane-2,1-diyl))bis(isoindoline-1,3-dione) ligand. To obtain the maximum adsorption capacity, the optimum condition was studied through pH, type and concentration of eluent, IIP weight, sample volume as well as the adsorption and desorption times. The Cr(III) ion content was determined via flame atomic absorption spectrometer. In optimum conditions, the adsorption capacity of the IIP for Cr(III) was obtained to be 74.65 mg g^?1, using 50 mg of IIP and the initial pH solution of 3.0. Both the adsorption and desorption times for quantitative analyses of Cr(III) ions were 15 and 5 min; respectively. After elution of the adsorbed ions by 3 mL of 4 mol L^?1 HNO₃ aqueous solution, the established IIP-based SPE procedure provides a reasonable pre-concentration factor of 100. The IIP-based pre-concentration method provides a low detection limit of 1.7 µg L^?1 with good repeatability (RSD?=?3.22%). Reusability studies confirmed that synthesis IIP is reusable and recoverable up to six cycles. According to the selectivity experiments, it was concluded that the prepared sorbent possesses more affinity toward Cr(III) ions than other ions such as Al³⁺, Pb²⁺, Cu²⁺, Mn²⁺, Fe²⁺, Zn²⁺, and Ni²⁺ ions. To evaluate the potential applicability of the proposed separation method, the pre-concentration and determination of trace amounts of Cr(III) were performed successfully in food samples with complex matrices, a bestial sample (i.e. cow liver) and an herbal product (i.e., broccoli) as real samples.     

A green organocatalyzed one-pot protocol for efficient synthesis of new substituted pyrimido[4,5-d]pyrimidinones using a Biginelli-like reaction

Research on Chemical Intermediates - In this article, we have demonstrated a green and facile one-pot approach for the regio- and chemoselective synthesis of...     

Synthesis of 5‐substituted 1H‐tetrazoles using a recyclable heterogeneous nanonickel ferrite catalyst

An efficient method was developed for the [2 + 3] cycloaddition of sodium azide with nitriles to afford 5‐substituted 1H‐tetrazoles using nanonickel ferrite (NiFe₂O₄) as an effective heterogeneous catalyst in dimethylformamide. The main advantages of this method are high yields, simple methodology and easy work‐up. The catalyst can be recovered and reused for several cycles with predictable activity. Copyright © 2015 John Wiley & Sons, Ltd.