Enhanced oxidation stability of quasi core-shell alloyed CdSeS quantum dots prepared through aqueous microwave synthesis technique.

Quasi core shell alloyed CdSeS quantum dots (QDs) have been prepared through a facile aqueous-phase route employing microwave irradiation technique. The optical spectroscopy and structure characterization evidenced the quasi core shell alloyed structures of CdSeS QDs. The X-ray diffraction patterns of the obtained CdSeS QDs displayed peak positions very close to those of bulk cubic CdS crystal structures and the result of X-ray photoelectron spectroscopy data re-confirmed the thick CdS shell on the CdSe core. The TEM images and HRTEM images of the CdSeS QDs ascertained the well-defined spherical particles and a relatively narrow size distribution. On the basis, the stability of the obtained QDs in an oxidative environment was also discussed using etching reaction by H2O2. The experiments result showed the as-prepared QDs present high tolerance towards H2O2, obviously superior to the commonly used CdTe QDs and core-shell CdTe/CdS QDs, which was attributed to the unique quasi core-shell CdSeS crystal structure and the small lattice mismatch between CdSe and CdS semiconductor materials. This assay provided insight to obtain high stable crystal structured semiconductor nanocrystals in the design and synthesis process.

Microcalorimetric studies of perchlorate on heat production by hepatocytes and mitochondria isolated from Carassius auratus.

As a new threat to environment all through the world, perchlorate (ClO(4)(-)) was predominantly a thyrotoxin, and its toxic manifestations in non-thyroid were also documented. However, little is known about the effects of ClO(4)(-) on cell and organelle. Therefore, the present study was designed to investigate the effects of ClO(4)(-) on hepatocytes and mitochondria isolated from Carassius auratus from the direct viewpoint of energy by using the microcalorimetric method. The metabolic thermogenic curves of hepatocytes and mitochondria at 25°C were obtained. And the thermokinetic parameters, such as growth rate constant (k), inhibitory ratio (I), maximum thermal power (P(max)) and total thermal effect (Q(total)) have been calculated. The results indicated that the toxicity of ClO(4)(-) on hepatocytes was relevant to the concentration of ClO(4)(-). However, 10-100mgL(-1)ClO(4)(-) stimulated the metabolic activity of mitochondria and the toxicity of ClO(4)(-) on mitochondria only occurrenced when treated with higher concentration of ClO(4)(-). This study shown that mitochondria has a major impact on the metabolic thermogenic of hepatocytes, but not the only factor. Meanwhile, it demonstrated that microcalorimetry was a powerful tool for understanding biological processes and studying on the toxic action of environmental contaminants in cell or subcellular level.

Induction of oxidative stress and apoptosis by pentachlorophenol in primary cultures of Carassius carassius hepatocytes.

Pentachlorophenol (PCP) is a highly toxic contaminant of chlorophenols. Due to its slow and incomplete biodegradation, it can be found in surface, groundwater and in soils. To investigate the role of intracellular calcium and reactive oxygen species in apoptosis induced by PCP in cultured hepatocytes, the primary hepatocytes of Carassius carassius were incubated with different concentrations of PCP at 25 degrees C for 8 h in vitro. Apoptosis was detected by DNA laddering, caspase activation and flow cytometry. The results demonstrated that apoptosis was involved in the cytotoxic effect of PCP, and that PCP-induced apoptosis occurred in a dose-dependent manner. In addition, the induction of apoptosis by PCP was accompanied with Ca2+, Mg2+-ATPase activity decline, intracellular Ca2+ elevation, generation of intracellular reactive oxygen species (ROS), mitochondrial membrane potential (DeltaPsi(m)) disruption and ATP depletion. Concomitantly, there were dose-dependent increases in lipid peroxidation production (MDA) and decreases in glutathione (GSH). These investigations suggest that PCP-induces apoptosis in the cultured hepatocytes by affecting multiple targets, and suggest that [Ca2+]i increase and ROS generation may be involved in apoptosis induction by PCP.

Phosphorus fractions and adsorption characteristics of floodplain sediments in the lower reaches of the Hanjiang River, China.

The phosphorus fractions and adsorption characteristics of seven floodplain sediment samples collected in the lower reaches of China's Hanjiang River were studied. Most phosphorus fractions showed a marked downstream increase in response to point-source inputs from urban areas. Total phosphorus (TP) contents in the sediments ranged from 603.68 to 945.25 mg x kg(-1). Inorganic phosphorus (IP) was the major component of TP, and calcium-bound phosphorus (Ca-P) was the major fraction of IP. The distribution characteristics of the phosphorus contents were affected by sediment grain size and hydrodynamic conditions. The maximum phosphorus adsorption capacities (Q (max)) and the half-saturation concentration (k) were obtained using an improved Langmuir model. Native adsorbed exchangeable phosphorus content (w (NAP)) and the zero-equilibrium phosphorus concentration value (c (EPC0)) were subsequently calculated. The effects of sediment grain size, temperature, and disturbance on the phosphorus adsorption isotherms were also studied. The results showed that phosphorus adsorption on floodplain sediments was primarily chemisorption; the particle concentration effect played a more important role at a disturbance intensity of 150 r x min(-1) (on a shaker table) than at 100 r x min(-1).

Computer-based QSARs for predicting mixture toxicity of benzene and its derivatives.

During the past decades, the Quantitative structure-activity relationships (QSARs) have been proven to be reliable tools when little or no empirical data are available in medicinal chemistry, biochemistry, toxicology, and environmental sciences. However, only few studies that quantitatively predict mixtures toxicity have been reported. In this study, the QASR models for the binary mixtures toxicity of 12 benzene and its derivatives, including eight non-polar-narcotic compounds and four polar narcotic compounds were developed, without reference to exact toxicity mechanisms of single compounds. All parameters for the QSAR studies were defined on the basis of quantum mechanical calculations and these parameters were selected by the stepwise procedure. The results of this study provided a simple means of predicting the binary mixtures toxicity from the chemical structure.

[Fluorescence quench of bovine serum albumin by pentachlorophenol].

The interaction between pentachlorophenol and bovine serum albumin (BSA) were studied using fluorescence spectra and ultraviolet-visible light absorption spectra. The results show that the fluorescence of BSA was quenched regularly by the pentachlorophenol, the mechanism of the fluorescence quench was investigated. The binding constants and thermodynamic parameters of pentachlorophenol with BSA were obtained at different temperatures. The hydrophobic interaction force and electrostatic force played a main role in the binding of pentachlorophenol with BSA. The distances of binding site between pentachlorophenol and BSA were also obtained according to the theory of Forster's non-radiative energy transfer.

Modification of the Wiener Index. 2.

A novel topological index based on the Wiener Index is proposed as W = 1/2, summation(n/ij)=S*(ij) the element S*(ij) of the distance matrix is defined either as S*(ij)= square root (E(i)E(j)/R(ij) (atoms i and j are adjacent) or as S*(ij)=(j-i+1)square root (E(i)...xE /R(ij) (atoms i and j are not adjacent), where E(i) and E(j) represent the total energy of the valence electrons of vertexes i and j, respectively, R(ij) is the sum of the distance between the vertexes i and j in a molecular graph. The distance and the energy of the vertexes in a molecule are taken into account in this definition. Hence the application of the index W to multiple bond and heteroatom-containing organic systems and inorganic systems is possible. Good correlation coefficients are achieved not only in the standard formation enthalpy of methyl halides, halogen-silicon, but also in the retention index of gas chromatography of the hydrocarbons.

Modification of Wiener Index and its application.

A novel topological index based on the Wiener Index is proposed as W* = 1/2 sigma (n)(i,j=1) S(*)(ij), the element S(*)(ij) of the distance matrix is defined either as S(*)(ij) = alpha x square root of I(i)I(j)/R(ij) (atoms i and j are adjacent) or as S(*)(ij) = = alpha x (j-i+1)square root of I(i) x x x x x I(j)/R(ij) (atoms i and j are not adjacent), where I(i) and I(j) represent the electronegativity of vertices i or j, respectively, R(ij)() is the sum of the bond length between the vertices i and j in a molecular graph, and alpha = (Z(i)/Z(j))(0.5), where Z(i) and Z(j) are the atomic numbers of the positive valence atom i and the negative valence atom j, respectively. The properties and the interaction of the vertices in a molecule are taken into account in this definition. That is why the application of the index W to heteroatom-containing and multiple bond organic systems and inorganic systems is possible. Correlation coefficients above 0.97 are achieved in the prediction of the retention index of gas chromatography of the hydrocarbons, the standard formation enthalpy of methyl halides, halogen-silicon, and inorganic compounds containing transition metals.