Hansen Solubility Parameters in the Analysis of Solvent–Solvent Interactions by Inverse Gas Chromatography

The Flory–Huggins interaction parameters, for a solute with pure nonvolatile solvents and with binary mixtures of nonvolatile solvents were evaluated using Inverse Gas Chromatography (IGC) data at 403.15 K. The five solvents used have similar structure and nearly the same molar volume and their mixtures form regular solutions. The values were used to evaluate the Hansen solubility parameters (HSP) for the pure solvents and mixed solvent systems. The HSP are plotted as a function of composition of the polar solvent. The dispersion component, , and the polar component, , exhibited negative deviation whereas the hydrogen bonding component, , showed positive deviation in the four mixtures. However, the total solubility parameter was found to be almost linear with composition in the four binary systems. Further the total solubility parameter, , was used to calculate the molar excess heat of vaporization for the solvents (C78 + POH, C78 + PCN, C78 + TTF, and C78 + TMO) that was found to be negative for C78 (19,24-dioctadecyldotetracontane) + POH(18,23-dioctadecylhentetracontan-1-ol) and C78 + PCN(1-cyano-18,23-dioctadecylhentetracontane) systems and positive for C78 + TTF [19,24-bis(18,18,18-trifluorooctadecyl)-1,1,1,42,42,42-hexafluorodotetracontane), and C78 + TMO(17,22-bis-(16-methoxyhexadecyl)-1,38-dimethoxyoctatriacontane] and the other systems.     

Uptake,Translocation, and Bioaccumulation of Elements in Forest Nettle (Laportea alatipes)

Elements found in the edible parts of plants are considered to be the main source of nutrients for humans and animals. However, there is insufficient information on the relationship between heavy metal pollution in the growing soil of most edible plants. In this study, the distribution of elements in the edible forest nettle (Laportea alatipes) was evaluated as a function of geographical location. Forest land soils had higher concentrations of minor elements (Cu, Cr, Ni, and Zn) compared to soils from rural and suburban areas. Translocation factors for Cd and Pb showed effective translocation from the roots to the leaves; however, these heavy metals in leaves were still above South African maximum permissible levels for vegetables. Atmospheric depositions may play a significant role in higher Cd and Pb concentrations in the leaves. Bioaccumulation factors showed the plant to accumulate Cu, Mn, and Zn to meet physiological requirement levels. Geoaccumulation indices and enrichment factors showed no soil contamination or minimal enrichment by trace metals. Principal component analysis showed Co, Cr, Cu, Fe, Ni, Pb, and Zn in soil to originate from a common source which may be soil silicates and other minerals.     

Synthesis,Characterization, Molecular Docking,and Antimicrobial Activity of New Arylidene-Substituted Imidazoles

Russian Journal of General Chemistry - The title compounds are synthesized by condensation of 2-[4-(arylidene)-5-oxo-4, 5-dihydrooxazol-2-yl]phenylacetate with aromatic amines in presence of the...     

Synthesis,spectroscopic characterization and in vitro antitumor activities of some novel mononuclear Ru(Ⅱ) complexes

The synthesis and spectroscopic characterization of ruthenium complexes（R-l to R-8） of the type[Ru（A）₂（B）],(where A = 1,10-phenanthroline/2,2′-bipyridine and B = 3.4.5-tri-OCH₃DPC,4-CH₃-DPC,4-N-（CH₃）₂-DPC,4-NO₂-DPC arc described. These ligands form bidentate octahedral ruthenium complexes.The title complexes were subjected to in vitro cytotoxic activity measurements against the human cancer T-lymphocyte cell lines MTT assay.In vitro evaluation of these ruthenium complexes revealed cytotoxic activity from 0.24 to 1.4μg/mL against CEM,0.44 to 1.9μg/mL against Molt4/C8.0.28 to 1.5μg/mL against L1210,0.24 to 0.98μg/mL against HL60,and 0.25 to 1.2μg/mL against BEL7402,depending the nature of the compound.     

Influence of temperature on thermodynamic properties of acid–base liquid mixtures

Ultrasonic velocity, u density, ?? and viscosity, ?? of mixtures of N,N-dimethyl acetamide with equimolar mixture of ethanol?+?isopropyl alcohol/isobutyl alcohol/isoamyl alcohol, including those of pure liquids over the entire composition have been measured at T?=?308.15, 313.15, and 318.15?K. Using this data, various thermo-acoustic parameters such as deviations in ultrasonic velocity, ?u, isentropic compressibility, ?k _s , viscosity, ????, excess molar volume, $ V_{\text{m}}^{\text{E}} $ and excess Gibb??s free energy of activation for viscous flow, ??G ^*E have been calculated at different temperatures. The calculated deviation and excess functions have been fitted to the Redlich?CKister type polynomial equation. The influence of temperature on the observed negative and positive values of deviation and excess thermodynamic properties has been explained in terms of molecular interactions present in the investigated acid?Cbase liquid mixtures. The experimental data of ultrasonic velocity have been used to check the applicability of velocity models of Nomoto, Van Dael and Vangeel and Junjie and viscosity data have also been availed to test the applicability of standard viscosity models of Grunberg-Nissan, Hind-Mc Laughlin, and Katti-Chaudhary for all the systems investigated at various temperatures.     

Excess Acoustical and Volumetric Properties and Theoretical Estimation of Ultrasonic Velocities in Binary Liquid Mixtures of 2-Chloroaniline with Acrylic Esters at 308.15 K

The ultrasonic velocities (u) and densities (??) for three binary mixture systems of 2-chloroaniline (CA) with ethyl acrylate (EA), butyl acrylate (BA), and 2-ethylhexyl acrylate (EHA) were measured over the entire mole fraction range at the temperature 308.15?K, including those of pure liquids. From these data, the deviations in ultrasonic velocity (??u), the excess molar volumes ( $V_{\mathrm{m}}^{\mathrm{E}}$ ), deviations in excess molar volume ( $\delta V_{\mathrm{m}}^{\mathrm{E}}$ ), deviations in isentropic compressibility (??k _S), excess intermolecular free lengths ( $L_{\mathrm{f}}^{\mathrm{E}}$ ), and excess acoustic impedances (Z ^E) have been calculated. The variations of these properties with solution composition are discussed in terms of molecular interactions among unlike molecules of the mixtures. The excess and deviation functions have been fitted to Redlich-Kister type polynomials and the corresponding standard deviations ??(Y ^E) have been calculated. The deviations and excess values were plotted against the mole fraction of CA over the whole composition range. The $V_{\mathrm{m}}^{\mathrm{E}}$ and ??k _S values are negative in the EA + CA and BA + CA systems but are positive in the EHA + CA system, which indicates the presence of specific interactions between unlike molecules. Further, theoretical values of the sound velocity in these mixtures have been evaluated using various theories and have been compared with experimental sound velocities to verify the applicability of such theories to the investigated systems. Two types of polynomial equations, f(x) and g(x), have been fitted to experimental values of ultrasonic velocities. The sound velocities obtained by these polynomials have extremely small deviations from the experimental values.     

Facile synthesis of novel bis-derivatives of 2,5-diamino-thiadiazole/<Emphasis Type="Italic">N</Emphasis>,<Emphasis Type="Italic">N</Emphasis>′-thiocarbohydrazide and their biological perspective

A series of new bis derivatives of 2,5-thiadiazole and N,N′-thiocarbohydrazide along with their transition metal complexes were synthesized by green methods (sonochemical and microwave), i.e., energy and time efficient and operationally more simple than existing conventional methods. All the synthesized compounds were fully characterized by routine analytical techniques and subjected to a preliminary biological screening. These novel characterized compounds were screened for antimicrobial activities and showed promising results. A few potent compounds were also tested for antitumor activities against MDA-MB231 (human breast carcinoma cell line) and compound 5 has emerged as a potential antitumor compound followed by compound 2, 10 and 9, with IC₅₀ values of 29.48, 32.25, 32.34 and 34.34 μg/ml, respectively. To understand the binding interactions of these compounds, in silico studies were performed using the AUTODOCK 4.2 suite and found to be supportive of the experimental results.     

Alkali promoted rare earth metal phosphates for vapour phase O-alkylation of α- and β-naphthols with methanol

The vapor-phase catalytic O-alkylation of - and -naphthols with methanol has been investigated over lanthanum, cerium, samarium, and antimony phosphate catalysts promoted with cesium hydroxide. Among various catalysts investigated, the Cs-SmPO₄ combination catalyst provided better catalytic activity and selectivity. The CsOH promoter suppressed formation of C-alkylated side products and enhanced the O-alkylation selectivity. Characterization of these catalysts by X-ray diffraction and FT-infrared techniques revealed that the cesium promoter has no influence on the bulk structure of the catalysts. Temperature programmed desorption of anhydrous ammonia over promoted and unpromoted catalysts revealed that the cesium promoter decreases total surface acidity of the catalysts.