Use of statistical methods to find the polysaccharide structural characteristics and the relationships between monosaccharide composition ratio and macrophage stimulatory activity of regionally different strains of Lentinula edodes

Multiple linear regression analysis was used to deduce the correlation between the monosaccharide composition ratios of 10 regionally different strains of Lentinula edodes and their in vitro macrophage stimulatory activities. Arabinose, xylose, mannose and galactose were identified as the monosaccharides that could be related to macrophage stimulatory activities. Additional principal component analysis and factor analysis methods were used to treat the same monosaccharide composition ratio data and the compositions of arabinose, xylose, mannose and galactose were found to be important. Interestingly, glucose, although presented in large compositions in all strains presumably forms the backbone of the polysaccharide structures, is not selected as the determinant factor for either structural characteristics or that of the in vitro macrophage stimulatory activities.     

Tin(IV) cyanoximates: synthesis, characterization, and cytotoxicity

In recent years, numerous organotin(IV) derivatives have exhibited remarkable cytotoxicity against several types of cancer. However, the properties of the cyanoxime-containing organotin(IV) complexes are unknown. Previously, it has been shown that cyanoximes displayed an interesting spectrum of biological activity ranging from growth-regulation to antimicrobial and pesticide detoxification actions. The work presented here attempts to combine the useful properties of both groups of compounds and investigate the likely antiproliferating activity of the new substances. A series of 19 organotin(IV) complexes, with nine different cyanoxime ligands, were anaerobically prepared by means of the heterogeneous metathesis reaction between the respective organotin(IV) halides (Cl, Br) and ML (M=Ag, Tl; L=cyanoximate anion), using an ultrasound in the CH3CN at room temperature. The compounds were characterized using spectroscopic methods (UV-visible, IR, 1H,13C NMR, 119Sn M?ssbauer) and X-ray analysis. The crystal structures of the complexes revealed the formation of two types of tin(IV) cyanoximates: mononuclear five-coordinated compounds of R4-xSnLx composition (R=Me, Et, n-Bu, Ph; x=1, 2; L=cyanoximate anion), and the tetranuclear R8Sn4(OH)2O2L2 species (R=n-Bu, Ph). The latter complex contains a planar [Sn4(OH)2O2]2- core, consisting of three adjacent rhombs with bridging oxo and hydroxo groups. The tin(IV) atoms are five-coordinated and have distorted trigonal-pyramidal surrounding. This is the first instance when the organic anions were found to act as monodentate O-bound planar oxime ligands. All of the compounds were studied in vitro for antiproliferating activity, using human cervical cancer HeLa and WiDR colon cancer cell lines; cisplatin was used as a positive control substance. The two dibutyltin(IV) cyanoximates showed cytotoxicity similar and greater to that of cisplatin.     

Examining the Types,Features, and Use of Instructional Materials in Afterschool Science

Afterschool programs have garnered much attention as promising environments for learning where children can engage in rich science activities. Yet, little is known about the kinds of instructional materials used in typical, large‐scale afterschool programs that implement science with diverse populations of children. In this study, we investigated the types, features, and use of science instructional materials at more than 150 public afterschool program sites across California. Using afterschool site survey data, we categorized the types and the range of materials used at the sites. We then collected a subsample of the instructional materials for in‐depth analysis of their support features for enabling staff and children to enact science. We also interviewed afterschool site staff to better understand how they selected and used materials. Results from our analysis of survey and interview data show that afterschool staff primarily used stand‐alone lessons and activities found on the Internet or in activity books as resources for planning and enacting science. Our analysis of the subsample of instructional materials indicate that curricular materials, while used less frequently by afterschool staff, have on average more of the support features that would help them implement high‐quality science experiences with children.     

Influence of spin-polarized current on superconductivity and the realization of large magnetoresistance

The superconducting state can be influenced by injecting spin-polarized current in a controlled manner by properly tailoring the interfacial transmittivity between a ferromagnet (F) and a superconductor (S), resulting in a large magnetoresistance of over 1100% for a F/I/S/I/F multilayer system (I insulator). Because of the competition between ferromagnetism and superconductivity, the superconducting transition temperature (T(C)) in the spin-parallel configuration is shifted below that in the spin antiparallel configuration. The T(C) shift is attributed to ferromagnet-induced nonequilibrium spin carriers in the superconductors.     

Iridicycle‐Catalysed Imine Reduction: An Experimental and Computational Study of the Mechanism

The mechanism of imine reduction by formic acid with a single‐site iridicycle catalyst has been investigated by density functional theory (DFT), NMR spectroscopy, and kinetic measurements. The NMR and kinetic studies suggest that the transfer hydrogenation is turnover‐limited by the hydride formation step. The calculations reveal that, amongst a number of possibilities, hydride formation from the iridicycle and formate probably proceeds by an ion‐pair mechanism, whereas the hydride transfer to the imino bond occurs in an outer‐sphere manner. In the gas phase, in the most favourable pathway, the activation energies in the hydride formation and transfer steps are 26–28 and 7–8 kcal mol^?1, respectively. Introducing one explicit methanol molecule into the modelling alters the energy barrier significantly, reducing the energies to around 18 and 2 kcal mol^?1 for the two steps, respectively. The DFT investigation further shows that methanol participates in the transition state of the turnover‐limiting hydride formation step by hydrogen‐bonding to the formate anion and thereby stabilising the ion pair.     

A DFT Study of the Reactivity of Anatase TiO2 and Tetragonal ZrO2 Stepped Surfaces Compared to the Regular (101) Terraces

It is generally assumed that low‐coordinated sites at extended defects of oxide surfaces like steps or edges are more reactive than the regular, fully coordinated sites at the flat terraces. In this work we have considered the properties of stepped surfaces of anatase TiO₂ and tetragonal ZrO₂ by means of periodic DFT+U calculations. For both oxides, the stability of oxygen vacancies located near the step edges is compared to that of the same defects at the regular terraces. The capability of the steps to induce nucleation of metal nanoparticles on the surface has been evaluated by simulating the adsorption of a single ruthenium adatom. We conclude that, for anatase, step edges have no particular role in favouring the reduction of the oxide by reducing the cost for oxygen abstraction; in the same way, there is no special role of the stepped anatase surface in stabilizing adsorbed Ru atoms. On the contrary, step edges on zirconia display some capability to stabilise oxygen vacancies and ruthenium adatoms.     

Structural identification of mouse fecal metabolites of theaflavin 3,3'-digallate using liquid chromatography tandem mass spectrometry

Black tea consumption has been associated with many health benefits including the prevention of cancer and heart disease. Theaflavins are the major bioactive polyphenols present in black tea. Unfortunately, limited information is available on their biotransformation. In the present study, we investigated the metabolic fate of theaflavin 3,3'-digallate (TFDG), one of the most abundant and bioactive theaflavins, in mouse fecal samples using liquid chromatography/electrospray ionization tandem mass spectrometry by analyzing the MS(n) (n=1-3) spectra. Four metabolites theaflavin, theaflavin 3-gallate, theaflavin 3'-gallate, and gallic acid were identified as the major mouse fecal metabolites of TFDG. Glucuronidated and sulfated, instead of methylated metabolites of theaflavin 3-gallate, theaflavin 3'-gallate, and TFDG were detected and identified as the minor mouse fecal metabolites of TFDG. Our results indicate that TFDG can be degraded in mice. Further studies on the formation of those metabolites in TFDG-treated mice in germ-free conditions are warranted. To our knowledge, this is the first report on the biotransformation of TFDG in mice.     

Linear chain aluminium(III) carboxymethylphosphonate with encapsulated ammonium ions

An aluminium carboxymethylphosphonate of composition (NH(4))(2)Al(H(1/2)O(3)PCH(2)CO(2))(2) has been prepared hydrothermally. The aluminium cation is chelated by six membered rings formed from bonding by both the carboxylate and phosphonate oxygens. These chelate rings in turn form larger eight membered rings by connecting to similar chelate groups to form chains running along the a-axis.     

trans-Fe(II)(H)2(diphosphine)(diamine) complexes as alternative catalysts for the asymmetric hydrogenation of ketones? A DFT study

New insights into the structural, electronic and catalytic properties of Fe complexes are provided by a density functional theory study of model as well as real [Fe(II)(H)(2)(diphosphine)(diamine)] systems. Calculations conducted using several different functionals on the trans- and cis-isomers of [Fe(II)(H)(2)(S-xylbinap)(S,S-dpen)] complexes show that, as with the [Ru(II)(H)(2)(diphosphine)(diamine)] complexes, the trans-[Fe(II)(H)(2)(diphosphine)(diamine)] complex is the more stable isomer. Analysis of the spin states of the trans-[Fe(II)(H)(2)(diphosphine)(diamine)] complexes also shows that the singlet state is significantly more stable than the triplet and the quintet, as with the [Ru(II)(H)(2)(diphosphine)(diamine)] complexes. Calculations of the catalytic cycle for the hydrogenation of ketones using two model trans-[M(II)(H)(2)(PH(3))(2)(en)] catalysts, where M = Ru and Fe, show that the mechanism of reaction as well as the activation energies are very similar, in particular: (i) the ketone/alcohol hydrogen transfer reaction occurs through the metal-ligand bifunctional mechanism, with energy barriers of 3.4 and 3.2 kcal mol(-1) for the Ru- and Fe-catalysed reactions, respectively; (ii) the heterolytic splitting of H(2) across the M[partial double bond, bottom dashed]N bond for the regeneration of the Ru and Fe catalysts has an activation barrier of 13.8 and 12.8 kcal mol(-1), respectively, and is expected to be the rate determining step for both catalytic systems. The reduction of acetophenone by trans-[M(II)(H)(2)(S-xylbinap)(S,S-dpen)] complexes along two competitive reaction pathways, shows that the intermediates for the Fe catalytic system are similar to those responsible for the high enantioselectivity of (R)-alcohol in those proposed trans-[Ru(II)(H)(2)(S-xylbinap)(S,S-dpen)] catalysed acetophenone hydrogenation reaction. Thus the high enantiomeric excess in the hydrogenation of acetophenone could, in principle, be achieved using Fe catalysts.     

Gene-Z: a device for point of care genetic testing using a smartphone

By 2012, point of care (POC) testing will constitute roughly one third of the $59 billion in vitro diagnostics market. The ability to carry out multiplexed genetic testing and wireless connectivity are emerging as key attributes of future POC devices. In this study, an inexpensive, user-friendly and compact device (termed Gene-Z) is presented for rapid quantitative detection of multiple genetic markers with high sensitivity and specificity. Using a disposable valve-less polymer microfluidic chip containing four arrays of 15 reaction wells each with dehydrated primers for isothermal amplification, the Gene-Z enables simultaneous analysis of four samples, each for multiple genetic markers in parallel, requiring only a single pipetting step per sample for dispensing. To drastically reduce the cost and size of the real-time detector necessary for quantification, loop-mediated isothermal amplification (LAMP) was performed with a high concentration of SYTO-81, a non-inhibiting fluorescent DNA binding dye. The Gene-Z is operated using an iPod Touch, which also receives data and carries out automated analysis and reporting via a WiFi interface. This study presents data pertaining to performance of the device including sensitivity and reproducibility using genomic DNA from Escherichia coli and Staphylococcus aureus. Overall, the Gene-Z represents a significant step toward truly inexpensive and compact tools for POC genetic testing.