Conducting LB films based on metal complexes of sulphur donor ligands

Preliminary studies are reported on the film forming characteristics of compounds such as dialkyldimethylammonium-M (dmit)₂ and dialkyldimethylammonium-M (mnt)₂ where M = Ni, Pt or Pd. All materials investigated show good monolayer behaviour and deposit readily onto evaporated aluminium or gold films. This is confirmed by surface potential and FTIR measurements. The lateral conductivity of deposited films increases by many orders of magnitude when exposed to bromine vapour.     

Benzyne cyclisation with carbanion activated aromatic rings1

Attempts to cyclise o-chlorophenyl benzyl ether, sulphide, sulphoxide and sulphone by treatment with KNH₂/NH₃ were unsuccessful. Similar reaction of 1-(o-chlorophenyl)-2,2-diphenylethane led to amination whereas α-(o-chlorobenzyl)phenylacetic acid gave a dihydrocoumarin. Reaction of 4- and 2-(o-chlorophenethyl)-pyridines, however, afforded products comprising benzisoquinolines and 1-pyridylbenzocyclobutenes.     

Localized vibrations of H−Na+H− impurity in KCl crystal

Localized modes due to H^?Na⁺H^? complex impurity in KCl crystal have been computed by a Green function method and compared with experimental data.     

A highly selective chemodosimeter for the rapid detection of Hg2+ ions in aqueous media

A novel S,S′-diallyl carbohydrazonodithioate derivative 3 of rhodamine B hydrazone was developed as a chemodosimeter for selective detection of mercury ions based on Hg²⁺ promoted cyclization. The allyl groups of 3 play a key role in the binding and selection of Hg²⁺ ions. The probe responds selectively to Hg²⁺ over various other competitive cations with marked chromo- and fluorogenic changes. The formation of stable oxadiazole derivative 8 was a strong driving force for this high selectivity. Practically, this probe is more promising because of the remarkable high selectivity, faster response, low detection limit, and aqueous solubility of 3.     

Thermal,mechanical, and topographical evaluation of nonstoichiometric α-cyclodextrin/poly(ε-caprolactone) pseudorotaxane nucleated poly(ε-caprolactone) composite films

Three pseudorotaxanes (PpR) comprised of poly (ε-caprolactone) (PCL) and α-cyclodextrin (α-CD) with varying stoichiometric ratios were synthesized and characterized. Wide-angle X-ray diffraction (WAXD) and thermogravimetric (TGA) analyses provided conclusive evidence for complexation between the guest PCL and host α-CD. The as-synthesized and characterized PpRs were used at 10 and 20% concentrations as nucleants to promote the bulk PCL crystallization in composite films. Both WAXD and TGA provided evidence for intact PpR structures in the composite films. Isothermal differential scanning calorimetric (I-DSC) analyses, performed at various crystallization temperatures demonstrated significant differences in the crystallization patterns among the composite films. In addition, I-DSC analyses showed higher Avrami constant values (n) in the PpR-nucleated composite PCL films (n ~ 3), indicating 3-dimensional crystal growth. In the case of neat PCL films, however, lower n values indicated crystal growth in 1-dimensions or 2-dimensions. Moreover, atomic force microscopic analyses showed large crests and pits in PpR-nucleated PCL composites, with irregular morphologies leading to higher surface roughness. To the contrary, the crests and pits were much smaller in the neat PCL films, resulting in lower surface roughness values. Finally, mechanical testing revealed higher tensile strength for PpR-nucleated PCL composites films, demonstrating larger load bearing capabilities. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56, 1529–1537     

Impact of graphene-based nanomaterials (GBNMs) on the structural and functional conformations of hepcidin peptide

Graphene-based nanomaterials (GBNMs) are widely used in various industrial and biomedical applications. GBNMs of different compositions, size and shapes are being introduced without thorough toxicity evaluation due to the unavailability of regulatory guidelines. Computational toxicity prediction methods are used by regulatory bodies to quickly assess health hazards caused by newer materials. Due to increasing demand of GBNMs in various size and functional groups in industrial and consumer based applications, rapid and reliable computational toxicity assessment methods are urgently needed. In the present work, we investigate the impact of graphene and graphene oxide nanomaterials on the structural conformations of small hepcidin peptide and compare the materials for their structural and conformational changes. Our molecular dynamics simulation studies revealed conformational changes in hepcidin due to its interaction with GBMNs, which results in a loss of its functional properties. Our results indicate that hepcidin peptide undergo severe structural deformations when superimposed on the graphene sheet in comparison to graphene oxide sheet. These observations suggest that graphene is more toxic than a graphene oxide nanosheet of similar area. Overall, this study indicates that computational methods based on structural deformation, using molecular dynamics (MD) simulations, can be used for the early evaluation of toxicity potential of novel nanomaterials.     

Thermodynamic Properties of Ternary Ionic Liquid Mixture Containing a Common Ion: Excess Molar Volumes,Excess Isentropic Compressibilities,Excess Molar Enthalpies and Excess Heat Capacities

In the present investigations, the excess molar volumes, \( V_{ijk}^{\text{E}} \), excess isentropic compressibilities, \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), and excess heat capacities, \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \), for ternary 1-butyl-2,3-dimethylimidazolium tetrafluoroborate (i) + 1-butyl-3-methylimidazolium tetrafluoroborate (j) + 1-ethyl-3-methylimidazolium tetrafluoroborate (k) mixture at (293.15, 298.15, 303.15 and 308.15) K and excess molar enthalpies, \( \left( {H^{\text{E}} } \right)_{ijk} \), of the same mixture at 298.15 K have been determined over entire composition range of x _i and x _j . Satisfactorily corrections for the excess properties \( V_{ijk}^{\text{E}} \), \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), \( \left( {H^{\text{E}} } \right)_{ijk} \) and \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \) have been obtained by fitting with the Redlich–Kister equation, and ternary adjustable parameters along with standard errors have also been estimated. The \( V_{ijk}^{\text{E}} \), \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), \( \left( {H^{\text{E}} } \right)_{ijk} \) and \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \) data have been further analyzed in terms of Graph Theory that deals with the topology of the molecules. It has also been observed that Graph Theory describes well \( V_{ijk}^{\text{E}} \), \( \left( {\kappa_{S}^{\text{E}} } \right)_{ijk} \), \( \left( {H^{\text{E}} } \right)_{ijk} \) and \( \left( {C_{p}^{\text{E}} } \right)_{ijk} \) values of the ternary mixture comprised of ionic liquids.     

Excess heat capacities and excess molar enthalpies of the mixtures containing tetrahydropyran,piperidine and cyclic alkanones

Journal of Thermal Analysis and Calorimetry - In the present study, molar heat capacities, $$\left( {C_{\text{P}}^{{}} } \right)_{123}$$ , at T/K = 293.15–308.15 K...     

Ovalbumin at oil–water interfaces: Adsorption and emulsification

In this article, we study the adsorption of protein ovalbumin (OVA) at corn oil (CO), soybean oil (SBO), olive oil (OO), and water interfaces along with the emulsification of these oils in water. The dynamic interfacial tension (IFT) measurements show a reduction in IFT in the order SBO–water?～?CO–water?>?OO–water, with OVA adsorption being dominated by the free diffusion of OVA at the interfaces. CO–water, OO–water, and SBO–water emulsions cream with time. The cream phase consists of jammed closed-packed oil droplets due to depletion-induced inter-droplet attractions with higher G′ and G″ (～700?Pa) for emulsions with 1?wt% OVA.