Atomic structure, binding energy, and magnetic properties of iron atoms supported on a polyaromatic hydrocarbon

The atomic structure, energetics, and properties of gas-phase cluster complexes containing coronene (C24H12) molecule and up to two iron atoms are studied for the first time using density functional theory and generalized gradient approximation for exchange and correlation. The geometries of the neutral and cationic iron–coronene complexes are optimized without symmetry constraint and by examining the possibility that iron atoms could occupy various sites via individual π or bridging interactions. In both neutral and cationic complexes a single Fe atom is found to preferentially occupy the on-top site above the outer ring, while two Fe atoms dimerize and reside on the top of center of the outer rings. The binding energy of neutral Fe2–coronene defined with respect to dissociation into coronene and Fe2 is larger than that of Fe–coronene while reverse is true for the corresponding cations. Although the ionization potentials of these complexes are not very sensitive to the number of adsorbed Fe atoms, they are significantly reduced from those of the Fe atom or the coronene molecule. The photodecomposition of cationic (Fen–coronene)+ complexes proceeds through the ejection of either coronene+ or (Fe–coronene)+ cations while in the case of neutral Fe2–coronene, the ejection of Fe2 is energetically preferred. The coupling between the Fe atoms remains ferromagnetic although the magnetic moment/atom is reduced from the free-atom value. The results compare well with recent mass ion intensity and photofragmentation experiments

Arabidopsis CAM7 and HY5 physically interact and directly bind to the HY5 promoter to regulate its expression and thereby promote photomorphogenesis

Arabidopsis thaliana CALMODULIN7 (CAM7), a unique member of the calmodulin gene family, plays a crucial role as a transcriptional regulator in seedling development. The elongated HYPOCOTYL5 (HY5) bZIP protein, an integrator of multiple signaling pathways, also plays an important role in photomorphogenic growth and light-regulated gene expression. CAM7 acts synergistically with HY5 to promote photomorphogenesis at various wavelengths of light. Although the genetic relationships between CAM7 and HY5 in light-mediated seedling development have been demonstrated, the molecular connectivity between CAM7 and HY5 is unknown. Furthermore, whereas HY5-mediated gene regulation has been fairly well investigated, the transcriptional regulation of HY5 is largely unknown. Here, we report that HY5 expression is regulated by HY5 and CAM7 at various wavelengths of light and also at various stages of development. In vitro and in vivo DNA–protein interaction studies suggest that HY5 and CAM7 bind to closely located T/G- and E-box cis-acting elements present in the HY5 promoter, respectively. Furthermore, CAM7 and HY5 physically interact and regulate the expression of HY5 in a concerted manner. Taken together, these results demonstrate that CAM7 and HY5 directly interact with the HY5 promoter to mediate the transcriptional activity of HY5 during Arabidopsis seedling development

Hybrid Image Mining Methods to Classify the Abnormality in Complete Field Image Mammograms Based on Normal Regions

Breast Cancer now becomes a common disease among woman in developing as well as developed countries. Many noninvasive methodologies have been used to detect breast cancer. Computer Aided diagnosis through, Mammography is a widely used as a screening tool and is the gold standard for the early detection of breast cancer. The classification of breast masses into the benign and malignant categories is an important problem in the area of computer-aided diagnosis of breast cancer. We present a new method for complete total image of mammogram analysis. A mammogram is analyzed region by region and is classified as normal or abnormal. We present a hybrid technique for extracting features that can be used to distinguish normal and abnormal regions of a mammogram. We describe our classifier technique that uses a unique re-classification method to boost the classification performance. Our proposed hybrid technique comprises decision tree followed by association rule miner shows most proficient and promising performance with high classification rate compared to many other classifiers. We have tested this technique on a set of ground-truth complete total image of mammograms and the result was quite effective

Local impacts of climate change on winter wheat in Great Britain

Under future CMIP5 climate change scenarios for 2050, an increase in wheat yield of about 10% is predicted in Great Britain (GB) as a result of the combined effect of CO2 fertilization and a shift in phenology. Compared to the present day, crops escape increases in the climate impacts of drought and heat stresses on grain yield by developing before these stresses can occur. In the future, yield losses from water stress over a growing season will remain about the same across Great Britain with losses reaching around 20% of potential yield, while losses from drought around flowering will decrease and account for about 9% of water limited yield. Yield losses from heat stress around flowering will remain negligible in the future. These conclusions are drawn from a modelling study based on the response of the Sirius wheat simulation model to local-scale 2050-climate scenarios derived from 19 Global Climate Models from the CMIP5 ensemble at 25 locations representing current or potential wheat-growing areas in GB. However, depending on susceptibility to water stress, substantial interannual yield variation between locations is predicted, in some cases suggesting low wheat yield stability. For this reason, local-scale studies should be performed to evaluate uncertainties in yield prediction related to future weather patterns

Formulation and in vitro Evaluation of Eudragit® Microspheres of Stavudine

Purpose: The aim of this study was to formulate and evaluate microencapsulated controlled release preparations of a highly water-soluble drug, stavudine, using Copolymers synthesized from acrylic and methacrylic acid esters (Eudragit RS 100 and RL 100) as the retardant material. . Methods: Microspheres were prepared by solvent evaporation method using an acetone / liquid paraffin system. Magnesium stearate was used as the droplet stabilizer and n-hexane was added to harden the microspheres. The prepared microspheres were characterized for their micromeritic properties and drug loading, as well by fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry, x-ray powder diffractometry and scanning electron microscopy. The in vitro release studies were performed in pH 6.8, phosphate buffer. Results: The prepared microspheres were white, free flowing and spherical in shape. The drug-loaded microspheres showed 67-91% of entrapment and release was extended upto 6 to 8 h. The infrared spectra and differential scanning calorimetry thermographs showed stable character of stavudine in the drug-loaded microspheres and revealed the absence of drug-polymer interactions. X-ray diffraction patterns showed that there was decrease in crystallinity of the drug. Scanning electron microscopy study revealed that the microspheres were spherical and porous in nature. Conclusion: The best-fit release kinetics was achieved with Higuchi plot followed by zero order and First order. The release of stavudine was influenced by the drug to polymer ratio and particle size & was found to be diffusion controlled. Keywords: Stavudine, Eudragit, microspheres, controlled release, polymethacrylate > Tropical Journal of Pharmaceutical Research Vol. 4 (1) 2005: pp. 369-37

Substantial increase in yield predicted by wheat ideotypes for Europe under future climate

A substantial increase in food production is needed for global food security. Europe is the largest wheat producer, delivering 35% of wheat globally, but its future genetic yield potential is yet unknown. We estimated the genetic yield potential of wheat in Europe under 2050 climate by designing in silico wheat ideotypes based on genetic variation in wheat germplasm. To evaluate the importance of heat and drought stresses around flowering, a critical stage in wheat development, sensitive and tolerant ideotypes were designed. Ideotype yields ranged from 9 to 17 t ha−1 across major wheat growing regions in Europe under 2050 climate. Both ideotypes showed a substantial increase in yield of 66−89% compared to current local cultivars under future climate. Key traits for wheat improvements under future climate were identified. Ideotype design is a powerful tool for estimating crop genetic yield potential in a target environment, along with the potential to accelerate breeding by providing target traits for improvements