Dynamic molecular recognition in the generation of a new crystal-engineering motif: a unique case study of a dicarboxylic acid with a ditopic receptor favouring a polymeric over a dimeric hydrogen-bonded supramolecular complex

A new crystal-engineering motif has been developed where a ditopic receptor 1 shows a novel syn-syn hydrogen-bonded polymeric supramolecular complex (Fig. 4b) (instead of a 1:1 dimeric syn-syn or polymeric syn-anti complex) giving rise to a hydrogen-bonded stair-like polymeric ribbon structure between the binding groups of the receptor pyridine amide and the carboxyl groups of the guest substrate.     

Physicochemical studies of a new series of aryloxide complexes,Na2[Co(OAr)4].nTHF

Summary By the interaction of anhydrous CoBr₂ or CoBr₂·2THF with different sodium aryloxides, a new series of complexes of general formula Na₂[Co(OAr)₄]·nTHF (OAr =o-nitro,o-chloro,o-bromo,m-chloro,p-bromo, 2,4-dichloro, 2,6-dichloro, or 2,4-dimethylphenoxide;n = 1, 3, 4 or 5) were prepared and characterized by physicochemical means. The electronic spectra and magnetic measurements suggest a tetrahedral geometry for cobalt(II). Heating the complexes led to reversible loss of THF with an accompanying colour change.     

Synthetic approaches toward stilbenes and their related structures

Compounds belonging to the stilbene family have gained remarkable significance in pharmaceutical as well as material chemistry. The current review covers the various synthetic approaches for the syntheses of stilbene scaffold and related structures over last 30 years. In addition, this review also highlights the role of stilbene intermediates used in the synthesis of important molecules with diverse applications in the field of pharmaceutics and material science.     

Dielectric Properties of Polymer Composites Filled with Different Metals

Electrically conductive composite systems based on polyvinyl chloride (PVC) and polymethyl methacrylate (PMMA) filled with metal powders of Al and Cu have been studied. The composite preparation conditions allow the formation of a random distribution of metallic particles in the polymer matrix. Dependence of the dielectric and conductivity properties of the PVC and PMMA/fillers was studied over a broad range of frequency and volume fraction of metal fillers. The experimental results could be explained by means of the conductivity of fillers and the interface polarization between polymers and fillers. Percolation was also seen in this study when the volume fraction of conducting fillers was close to critical value, in which the composites undergo an insulator‐conductor transition. The relation among the dielectric property and the fillers with different conductivity was proposed.     

Substrate Envelope-Designed Potent HIV-1 Protease Inhibitors to Avoid Drug Resistance

1. Download : Download high-res image (132KB)
2. Download : Download full-size image

     

Synthesis of new bicarbazole-linked triazoles as non-cytotoxic reactive oxygen species (ROS) inhibitors

Abstract

Carbazole analogs 3 and 4 and a new library of bicarbazole-linked triazoles 6–11 were prepared via new synthetic methodology. Metal-catalyzed oxidative coupling reaction was utilized for the synthesis of bicarbazole acetylene 4 and different metals (Zn⁺², Co⁺², Fe⁺³, Ni⁺², Cu⁺², Mn⁺²) as catalyst were screened. Only Fe-catalyzed reaction was found to be excellent and gave homocoupled product 4. Cu-catalyzed 1,3-dipolar cycloaddition was also utilized to install triazole moiety for the synthesis of hybrid molecules 6–11. Based on reported anti-inflammatory activity of carbazole and triazole scaffolds, all compounds were screened for their reactive oxygen species (ROS) inhibitory potential. Results from these studies revealed triazole 9 as most active compound (IC₅₀ value of 7.6?±?0.1?µg/mL on human whole blood and 2.7?±?0.09?µg/mL on isolated neutrophils) using ibuprofen as a standard. Therefore, class described herein can serve as attractive structural element for further studies on ROS inhibition.     

Enamine Rearrangement of Pyridinium Salts to Indole Ring: A Combined Experimental and Molecular Modeling Study

N‐Alkyl pyridinium ( II ) and N‐alkyl isoquinolinium salts V undergo cyclization reaction when heated with sodium bicarbonate to give the corresponding indolizine derivatives III and VIa , VIb , VIc , VId , VIe , respectively, which undergo ring opening and recyclization reactions when heated with aqueous sodium hydroxide to give the corresponding indole derivatives IV and IXa , IXb , IXc , IXd , IXe , respectively. Molecular modeling tools including Molecular Mechanics using Augmented MM3 parameters followed by geometry optimization calculations in MO‐G using PM3 parameters were performed to gain better understanding and more insights on the thermodynamic properties of the recyclization reactions of compounds IIa , IIb , IIc , IId , IIe , IIf , IIg to the corresponding IIIa , IIIb , IIIc , IIId , IIIe , IIIf , IIIg and IIIa , IIIb , IIIc , IIId , IIIe , IIIf , IIIg to the corresponding IVa , IVb , IVc , IVd , IVe , IVf , IVg . The results were in excellent agreement with the experimental data and hence were proven to be a good tool in explaining different yields % because of the steric and electronic effects of electron‐withdrawing groups on the reactivity of the pyridine ring for nucleophilic attack.