Interactions of Schiff-base ligands with gold nanoparticles: structural, optical and electrocatalytic studies

A study on optical and electrochemical properties resulting upon interaction of Schiff base ligands with gold nanoparticles is presented. The measurements of the optical absorption and fluorescence properties have provided important information about structure-properties dependence. We show that in function of the isomer structure and its attachment orientation with respect to the metal nanoparticle, their optical properties can be modulated. Nanoparticle assemblies mediated by 3,4-DHS were also obtained based on a control of the interparticle interactions and their electrocatalytic activity toward NADH oxidation was investigated.     

One‐Pot Palladium‐Catalyzed Borrowing Hydrogen Synthesis of Thioethers

Palladium on magnesium oxide is able to allow a one‐pot reaction to synthesize thioethers from thiols and aldehydes formed in situ from the respective alcohol by means of a borrowing hydrogen method. The reaction is initiated by dehydrogenation of the alcohol to give a palladium hydride intermediate and an aldehyde. The latter reacts with a thiol involving most probably the intermediacy of a thionium ion RCH?S⁺R, which can be reduced in situ by the metal hydride to afford thioethers.     

Cellulose nano-particles from Pandanus: viscometric and crystallographic studies

Pandanus utilis a plant abundant throughout Kerala, India has been used as a source to isolate nano-particles. The fibres were extracted from Pandanus plant by biological natural retting. Extracted fibres were dried, ground and treated with 5 % NaOH followed by bleaching using 5 wt % hypochlorite solution. Bleached cellulose was hydrolysed using sulphuric acid. After centrifugation, suspension was freeze dried. Effect of Acid concentration, temperature and time of hydrolysis on the isolation of cellulose nanoparticles was studied. FESEM images of cellulose showed the presence of spherical nano-particles. Dynamic light scattering revealed homogeneous dispersion of nano-particles. Degree of polymerisation of cellulose was determined viscometrically using cupriethylene-diamine as solvent. Removal of lignin and hemicelluloses was confirmed from FTIR spectra. X-Ray diffractograms of powdered fibre, bleached cellulose and nano-cellulose were compared. Using peak height method and peak de-convolution method, crystallinity indices were determined. Using Scherrer equation crystallite size was calculated and it further confirmed that particles are of nanometre size.     

Urea and Thiourea Derivatives of Bis(dimethyl-phosphinoylmethyl)-amine

A group of hitherto unknown 1-aryl-3,3-bis(dimethyl-phosphinoylmethyl)-, 1-benzyl-3,3-bis(dimethyl-phosphinoylmethyl)- and 1-cyclohexyl-3,3-bis(dimethyl-phosphinoylmethyl) ureas and thioureas 1-10 have been synthesized, characterized, and are reported in this article. The compounds were prepared via reaction of corresponding isocyanates or isothiocyanates with the secondary phosporus-containing amine: bis(dimethyl-phosphinoylmethyl)-amine. The composition of the novel compounds was proved by elemental analysis, corresponding structures were confirmed by IR, 1 H-, 31 P-, 31 P{ 1 H}-NMR spectroscopy and by mass spectrometry.     

Comparative studies on the structure and electromagnetic properties of Ni−Zn ferrites prepared via co-precipitation and conventional ceramic processing routes

The magnetic and physical properties of ferrites are very sensitive to microstructure, which in turn critically depends on the manufacturing process. In this study, nickel zinc ferrite powder with composition Ni_0.8Zn_0.2Fe₂O₄ has been prepared via conventional ceramic processing and co-precipitation methods. The toroidal and pellet form samples were sintered at various temperatures such as 1100, 1200 and 1300 °C. The microstructure, magnetic and dielectric properties of both samples were studied. The X-ray diffraction patterns confirm the formation of single-phase cubic spinel structure for the co-precipitation technique after sintering. The microstructure studies of Ni_0.8Zn_0.2Fe₂O₄ show the grain size increases and the porosity decreases with temperature for both methods. The controlled permeability with small loss and wide operational frequency range are found in the co-precipitation samples. Dielectric constants decrease with increase of frequency and increase with sintering temperature in both methods. Consequently, the homogenous microstructure with the low-loss high-performance of nickel zinc ferrite has been discovered by means of co-precipitation method.     

Fruit Bromelain-Derived Peptide Potentially Restrains the Attachment of SARS-CoV-2 Variants to hACE2: A Pharmacoinformatics Approach

Before entering the cell, the SARS-CoV-2 spike glycoprotein receptor-binding domain (RBD) binds to the human angiotensin-converting enzyme 2 (hACE2) receptor. Hence, this RBD is a critical target for the development of antiviral agents. Recent studies have discovered that SARS-CoV-2 variants with mutations in the RBD have spread globally. The purpose of this in silico study was to determine the potential of a fruit bromelain-derived peptide. DYGAVNEVK. to inhibit the entry of various SARS-CoV-2 variants into human cells by targeting the hACE binding site within the RBD. Molecular docking analysis revealed that DYGAVNEVK interacts with several critical RBD binding residues responsible for the adhesion of the RBD to hACE2. Moreover, 100 ns MD simulations revealed stable interactions between DYGAVNEVK and RBD variants derived from the trajectory of root-mean-square deviation (RMSD), radius of gyration (Rg), and root-mean-square fluctuation (RMSF) analysis, as well as free binding energy calculations. Overall, our computational results indicate that DYGAVNEVK warrants further investigation as a candidate for preventing SARS-CoV-2 due to its interaction with the RBD of SARS-CoV-2 variants.     

Reactivity of aryl chlorides with sodium sulfide in the synthesis of aromatic polyamidethioethers

The synthesis of aromatic copolyamidethioethers by reaction of dichlorobenzanilides with Na₂S has been studied. The reactivity of chlorine atoms is strongly dependent on the nature of the substituent in para position. It is related to the ¹³C NMR shifts of the relative carbons-the more deshielded, the more reactive-and hence to charge densities, agreing with aromatic nucleophilic substitution mechanisms. The results are discussed in relation to the various mechanisms which have been put forward for the reaction of Na₂S with 1, 4-dichlorobenzene (PPS synthesis).