Adsorption energy and spin state of first-row transition metals adsorbed on MgO(100)

Slab and cluster model spin-polarized calculations have been carried out to study various properties of isolated first-row transition metal atoms adsorbed on the anionic sites of the regular MgO(100) surface. The calculated adsorption energies follow the trend of the metal cohesive energies, indicating that the changes in the metal-support and metal-metal interactions along the series are dominated by atomic properties. In all cases, except for Ni at the generalized gradient approximation level, the number of unpaired electron is maintained as in the isolated metal atom. The energy required to change the atomic state from high to low spin has been computed using the PW91 and B3LYP density-functional-theory-based methods. PW91 fails to predict the proper ground state of V and Ni, but the results for the isolated and adsorbed atom are consistent within the method. B3LYP properly predicts the ground state of all first-row transition atom the high- to low-spin transition considered is comparable to experiment. In all cases, the interaction with the surface results in a reduced high- to low-spin transition energy.

Study of the Oceanic Heat Budget Components over the Arabian Sea during the Formation and Evolution of Super Cyclone, Gonu

Oceans play a vital role in the global climate system. They absorb the incoming solar energy and redistribute the energy through horizontal and vertical transports. In this context it is important to investigate the variation of heat budget components during the formation of a low-pressure system. In 2007, the monsoon onset was on 28th May. A well- marked low-pressure area was formed in the eastern Arabian Sea after the onset and it further developed into a cyclone. We have analysed the heat budget components during different stages of the cyclone. The data used for the computation of heat budget components is Objectively Analyzed air-sea flux data obtained from WHOI (Woods Hole Oceanographic Institution) project. Its horizontal resolution is 1° × 1°. Over the low-pressure area, the latent heat flux was 180 Wm−2. It increased to a maximum value of 210 Wm−2 on 1st June 2007, on which the system was intensified into a cyclone (Gonu) with latent heat flux values ranging from 200 to 250 Wm−2. It sharply decreased after the passage of cyclone. The high value of latent heat flux is attributed to the latent heat release due to the cyclone by the formation of clouds. Long wave radiation flux is decreased sharply from 100 Wm−2 to 30 Wm−2 when the low-pressure system intensified into a cyclone. The decrease in long wave radiation flux is due to the presence of clouds. Net heat flux also decreases sharply to −200 Wm−2 on 1st June 2007. After the passage, the flux value increased to normal value (150 Wm−2) within one day. A sharp increase in the sensible heat flux value (20 Wm−2) is observed on 1st June 2007 and it decreased there- after. Short wave radiation flux decreased from 300 Wm−2 to 90 Wm−2 during the intensification on 1st June 2007. Over this region, short wave radiation flux sharply increased to higher value soon after the passage of the cyclone.

Investigation on key molecular targets responsible for antidiabetic properties of Symplocos cochinchinensis (Lour.) S. Moore

Diabetes mellitus is a heterogeneous metabolic disorder characterized by hyperglycemia with disturbances in carbohydrate, protein and lipid metabolism resulting from defects in insulin secretion, insulin action or both. Currently there are 387 million people with diabetes worldwide and is expected to affect 592 million people by 2035. Insulin resistance in peripheral tissues and pancreatic beta cell dysfunction are the major challenges in the pathophysiology of diabetes. Diabetic secondary complications (like liver cirrhosis, retinopathy, microvascular and macrovascular complications) arise from persistent hyperglycemia and dyslipidemia can be disabling or even life threatening. Current medications are effective for control and management of hyperglycemia but undesirable effects, inefficiency against secondary complications and high cost are still serious issues in the present prognosis of this disorder. Hence the search for more effective and safer therapeutic agents of natural origin has been found to be highly demanding and attract attention in the present drug discovery research. The data available from Ayurveda on various medicinal plants for treatment of diabetes can efficiently yield potential new lead as antidiabetic agents. For wider acceptability and popularity of herbal remedies available in Ayurveda scientific validation by the elucidation of mechanism of action is very much essential. Modern biological techniques are available now to elucidate the biochemical basis of the effectiveness of these medicinal plants. Keeping this idea the research programme under this thesis has been planned to evaluate the molecular mechanism responsible for the antidiabetic property of Symplocos cochinchinensis, the main ingredient of Nishakathakadi Kashayam, a wellknown Ayurvedic antidiabetic preparation. A general introduction of diabetes, its pathophysiology, secondary complications and current treatment options, innovative solutions based on phytomedicine etc has been described in Chapter 1. The effect of Symplocos cochinchinensis (SC), on various in vitro biochemical targets relevant to diabetes is depicted in Chapter 2 including the preparation of plant extract. Since diabetes is a multifactorial disease, ethanolic extract of the bark of SC (SCE) and its fractions (hexane, dichloromethane, ethyl acetate and 90 % ethanol) were evaluated by in vitro methods against multiple targets such as control of postprandial hyperglycemia, insulin resistance, oxidative stress, pancreatic beta cell proliferation, inhibition of protein glycation, protein tyrosine phosphatase-1B (PTP-1B) and dipeptidyl peptidase-IV (DPPxxi IV). Among the extracts, SCE exhibited comparatively better activity like alpha glucosidase inhibition, insulin dependent glucose uptake (3 fold increase) in L6 myotubes, pancreatic beta cell regeneration in RIN-m5F and reduced triglyceride accumulation in 3T3-L1 cells, protection from hyperglycemia induced generation of reactive oxygen species in HepG2 cells with moderate antiglycation and PTP-1B inhibition. Chemical characterization by HPLC revealed the superiority of SCE over other extracts due to presence of bioactives (beta-sitosterol, phloretin 2’glucoside, oleanolic acid) in addition to minerals like magnesium, calcium, potassium, sodium, zinc and manganese. So SCE has been subjected to oral sucrose tolerance test (OGTT) to evaluate its antihyperglycemic property in mild diabetic and diabetic animal models. SCE showed significant antihyperglycemic activity in in vivo diabetic models. Chapter 3 highlights the beneficial effects of hydroethanol extract of Symplocos cochinchinensis (SCE) against hyperglycemia associated secondary complications in streptozotocin (60 mg/kg body weight) induced diabetic rat model. Proper sanction had been obtained for all the animal experiments from CSIR-CDRI institutional animal ethics committee. The experimental groups consist of normal control (NC), N + SCE 500 mg/kg bwd, diabetic control (DC), D + metformin 100 mg/kg bwd, D + SCE 250 and D + SCE 500. SCEs and metformin were administered daily for 21 days and sacrificed on day 22. Oral glucose tolerance test, plasma insulin, % HbA1c, urea, creatinine, aspartate aminotransferase (AST), alanine aminotransferase (ALT), albumin, total protein etc. were analysed. Aldose reductase (AR) activity in the eye lens was also checked. On day 21, DC rats showed significantly abnormal glucose response, HOMA-IR, % HbA1c, decreased activity of antioxidant enzymes and GSH, elevated AR activity, hepatic and renal oxidative stress markers compared to NC. DC rats also exhibited increased level of plasma urea and creatinine. Treatment with SCE protected from the deleterious alterations of biochemical parameters in a dose dependent manner including histopathological alterations in pancreas. SCE 500 exhibited significant glucose lowering effect and decreased HOMA-IR, % HbA1c, lens AR activity, and hepatic, renal oxidative stress and function markers compared to DC group. Considerable amount of liver and muscle glycogen was replenished by SCE treatment in diabetic animals. Although metformin showed better effect, the activity of SCE was very much comparable with this drug. xxii The possible molecular mechanism behind the protective property of S. cochinchinensis against the insulin resistance in peripheral tissue as well as dyslipidemia in in vivo high fructose saturated fat diet model is described in Chapter 4. Initially animal were fed a high fructose saturated fat (HFS) diet for a period of 8 weeks to develop insulin resistance and dyslipidemia. The normal diet control (ND), ND + SCE 500 mg/kg bwd, high fructose saturated fat diet control (HFS), HFS + metformin 100 mg/kg bwd, HFS + SCE 250 and HFS + SCE 500 were the experimental groups. SCEs and metformin were administered daily for the next 3 weeks and sacrificed at the end of 11th week. At the end of week 11, HFS rats showed significantly abnormal glucose and insulin tolerance, HOMA-IR, % HbA1c, adiponectin, lipid profile, liver glycolytic and gluconeogenic enzyme activities, liver and muscle triglyceride accumulation compared to ND. HFS rats also exhibited increased level of plasma inflammatory cytokines, upregulated mRNA level of gluconeogenic and lipogenic genes in liver. HFS exhibited the increased expression of GLUT-2 in liver and decreased expression of GLUT-4 in muscle and adipose. SCE treatment also preserved the architecture of pancreas, liver, and kidney tissues. Treatment with SCE reversed the alterations of biochemical parameters, improved insulin sensitivity by modifying gene expression in liver, muscle and adipose tissues. Overall results suggest that SC mediates the antidiabetic activity mainly via alpha glucosidase inhibition, improved insulin sensitivity, with antiglycation and antioxidant activities.

Experimentelle und numerische Untersuchungen zur Dispersion von Dichteströmungen in einem stochastischen Modellaquifer

Es ist bekannt, dass die Dichte eines gelösten Stoffes die Richtung und die Stärke seiner Bewegung im Untergrund entscheidend bestimmen kann. Eine Vielzahl von Untersuchungen hat gezeigt, dass die Verteilung der Durchlässigkeiten eines porösen Mediums diese Dichteffekte verstärken oder abmindern kann. Wie sich dieser gekoppelte Effekt auf die Vermischung zweier Fluide auswirkt, wurde in dieser Arbeit untersucht und dabei das experimentelle sowohl mit dem numerischen als auch mit dem analytischen Modell gekoppelt. Die auf der Störungstheorie basierende stochastische Theorie der macrodispersion wurde in dieser Arbeit für den Fall der transversalen Makodispersion. Für den Fall einer stabilen Schichtung wurde in einem Modelltank (10m x 1.2m x 0.1m) der Universität Kassel eine Serie sorgfältig kontrollierter zweidimensionaler Experimente an einem stochastisch heterogenen Modellaquifer durchgeführt. Es wurden Versuchsreihen mit variierenden Konzentrationsdifferenzen (250 ppm bis 100 000 ppm) und Strömungsgeschwindigkeiten (u = 1 m/ d bis 8 m/d) an drei verschieden anisotrop gepackten porösen Medien mit variierender Varianzen und Korrelationen der lognormal verteilten Permeabilitäten durchgeführt. Die stationäre räumliche Konzentrationsausbreitung der sich ausbreitenden Salzwasserfahne wurde anhand der Leitfähigkeit gemessen und aus der Höhendifferenz des 84- und 16-prozentigen relativen Konzentrationsdurchgang die Dispersion berechnet. Parallel dazu wurde ein numerisches Modell mit dem dichteabhängigen Finite-Elemente-Strömungs- und Transport-Programm SUTRA aufgestellt. Mit dem kalibrierten numerischen Modell wurden Prognosen für mögliche Transportszenarien, Sensitivitätsanalysen und stochastische Simulationen nach der Monte-Carlo-Methode durchgeführt. Die Einstellung der Strömungsgeschwindigkeit erfolgte - sowohl im experimentellen als auch im numerischen Modell - über konstante Druckränder an den Ein- und Auslauftanks. Dabei zeigte sich eine starke Sensitivität der räumlichen Konzentrationsausbreitung hinsichtlich lokaler Druckvariationen. Die Untersuchungen ergaben, dass sich die Konzentrationsfahne mit steigendem Abstand von der Einströmkante wellenförmig einem effektiven Wert annähert, aus dem die Makrodispersivität ermittelt werden kann. Dabei zeigten sich sichtbare nichtergodische Effekte, d.h. starke Abweichungen in den zweiten räumlichen Momenten der Konzentrationsverteilung der deterministischen Experimente von den Erwartungswerten aus der stochastischen Theorie. Die transversale Makrodispersivität stieg proportional zur Varianz und Korrelation der lognormalen Permeabilitätsverteilung und umgekehrt proportional zur Strömungsgeschwindigkeit und Dichtedifferenz zweier Fluide. Aus dem von Welty et al. [2003] mittels Störungstheorie entwickelten dichteabhängigen Makrodispersionstensor konnte in dieser Arbeit die stochastische Formel für die transversale Makrodispersion weiter entwickelt und - sowohl experimentell als auch numerisch - verifiziert werden.

Dirac-Fock-Slater calculations for the elements Z = 100, fermium, to Z = 173

Listed here for the elements Z = 100, fermium, to Z = 173 are energy eigenvalues and total energies found from relativistic Dirac-Fock-Slater calculations. The effect of high ionization on the energy eigenvalues is presented for two exarnples. The use of these tables in connection with the energy levels of superheavy elements and molecular orbital (MO) x-ray transitions in superheavy quasiatoms, is discussed. In addition, abrief comparison between the results of the Dirac-Fock-Slater and Dirac-Fock calculations is given.

Nitrogen requirements of cassava in selected soils of Thailand

Cassava (Manihot esculenta) is one of the most important export crops in Thailand, yet the nitrogen requirement is unknown and not considered by growers and producers. Cassava requirements for N were determined in field experiments during a period of four years and four sites on the Satuk (Suk), Don Chedi (Dc), Pak Chong (Pc),and Ban Beung (BBg) soil series in Lopburi, Supanburi, Nakhon Ratchasima, and Chonburi sites, respectively. The fertilizer treatment structure comprised 0, 62.5, 125, 187.5, 250 and 312.5 kg N ha^(-1) as urea. At each site cassava was harvested at nine months and yield parameters and the minimum datasets were taken. The fertilizer rate which resulted in maximum yield ranged from 187.5 kg N ha^(-1) in Supanburi and Chonburi (fresh weight yield of 47,500 and 30,000 kg ha^(-1) respectively) to 250 kg N ha^(-1) in Lopburi and Nakhon Ratchasima (fresh weight yield of 64,100 and 46,700 kg ha^(-1) respectively). Yield appeared to decrease at the higher, 312 kg ha^(-1), at Supanburi and Lopburi, and 250 kg ha^(-1) (Chonburi) fertilizer N rates. Net revenue was 70.4 and 72.9 % higher than where no N was appliedLopburi and Nakhon Ratchasima sites. Net revenue at the Supanburi and Chonburi sites were 53.8 and 211.0 % higher than that where no N was applied. This study suggests that at all sites improved cassava production and net revenue could be obtained with the judicious application of higher quantities of N. The results provide needed guidance to nitrogen fertilization of the important industrial crop cassava in Thailand.

Optimization of the Mechanical and Optical Properties of Tunable Optical Sensor Arrays (TOSA) for a Nanospectrometer in the Visible and Near Infrared Spectral Range

Tunable Optical Sensor Arrays (TOSA) based on Fabry-Pérot (FP) filters, for high quality spectroscopic applications in the visible and near infrared spectral range are investigated within this work. The optical performance of the FP filters is improved by using ion beam sputtered niobium pentoxide (Nb2O5) and silicon dioxide (SiO2) Distributed Bragg Reflectors (DBRs) as mirrors. Due to their high refractive index contrast, only a few alternating pairs of Nb2O5 and SiO2 films can achieve DBRs with high reflectivity in a wide spectral range, while ion beam sputter deposition (IBSD) is utilized due to its ability to produce films with high optical purity. However, IBSD films are highly stressed; resulting in stress induced mirror curvature and suspension bending in the free standing filter suspensions of the MEMS (Micro-Electro-Mechanical Systems) FP filters. Stress induced mirror curvature results in filter transmission line degradation, while suspension bending results in high required filter tuning voltages. Moreover, stress induced suspension bending results in higher order mode filter operation which in turn degrades the optical resolution of the filter. Therefore, the deposition process is optimized to achieve both near zero absorption and low residual stress. High energy ion bombardment during film deposition is utilized to reduce the film density, and hence the film compressive stress. Utilizing this technique, the compressive stress of Nb2O5 is reduced by ~43%, while that for SiO2 is reduced by ~40%. Filters fabricated with stress reduced films show curvatures as low as 100 nm for 70 μm mirrors. To reduce the stress induced bending in the free standing filter suspensions, a stress optimized multi-layer suspension design is presented; with a tensile stressed metal sandwiched between two compressively stressed films. The stress in Physical Vapor Deposited (PVD) metals is therefore characterized for use as filter top-electrode and stress compensating layer. Surface micromachining is used to fabricate tunable FP filters in the visible spectral range using the above mentioned design. The upward bending of the suspensions is reduced from several micrometers to less than 100 nm and 250 nm for two different suspension layer combinations. Mechanical tuning of up to 188 nm is obtained by applying 40 V of actuation voltage. Alternatively, a filter line with transmission of 65.5%, Full Width at Half Maximum (FWHM) of 10.5 nm and a stopband of 170 nm (at an output wavelength of 594 nm) is achieved. Numerical model simulations are also performed to study the validity of the stress optimized suspension design for the near infrared spectral range, wherein membrane displacement and suspension deformation due to material residual stress is studied. Two bandpass filter designs based on quarter-wave and non-quarter-wave layers are presented as integral components of the TOSA. With a filter passband of 135 nm and a broad stopband of over 650 nm, high average filter transmission of 88% is achieved inside the passband, while maximum filter transmission of less than 1.6% outside the passband is achieved.

Protagonistas de rosa y azul : 100 libros para una educación no sexista.

Selección de cien títulos de libros cuyo objetivo es modificar la percepción sexista del mundo que impera en nuestra sociedad y facilitar y ayudar a la mujer para que recupere su propia historia y valore adecuadamente sus aportaciones a lo largo de la historia. Este libro ofrece a las madres y padres, educadoras y educadores un medio para utilizar la literatura infantil y juvenil como apoyo a una educación que facilite una visión más global y completa del mundo y de su historia. En su primera parte, se aportan ideas sobre el sexismo y sociedad y sexismo y literatura. La selección de libros está dividida por bloques de edad: 0-4 años, de 5 a 7, 8 a 10, 11 a 13 y de 14 en adelante.

100 años de formación profesional en Cartagena : I centenario IES Politécnico (1902-03 ; 2002-03).

La publicación cuenta con el apoyo financiero de la empresa REPSOL YPF, ya que la refinería de Escombreras ha estado íntimamente ligada al desarrollo de las enseñanzas profesionales en Cartagena, relación que se ha renovado últimamente con el Programa de Formación en Centros de Trabajo (FCT)

Analysis of Pleistocene paleodrainage evolution in the Po Basin (Italy) by multivariate statistical techniques

In order to obtain a high-resolution Pleistocene stratigraphy, eleven continuously cored boreholes, 100 to 220m deep were drilled in the northern part of the Po Plain by Regione Lombardia in the last five years. Quantitative provenance analysis (QPA, Weltje and von Eynatten, 2004) of Pleistocene sands was carried out by using multivariate statistical analysis (principal component analysis, PCA, and similarity analysis) on an integrated data set, including high-resolution bulk petrography and heavy-mineral analyses on Pleistocene sands and of 250 major and minor modern rivers draining the southern flank of the Alps from West to East (Garzanti et al, 2004; 2006). Prior to the onset of major Alpine glaciations, metamorphic and quartzofeldspathic detritus from the Western and Central Alps was carried from the axial belt to the Po basin longitudinally parallel to the SouthAlpine belt by a trunk river (Vezzoli and Garzanti, 2008). This scenario rapidly changed during the marine isotope stage 22 (0.87 Ma), with the onset of the first major Pleistocene glaciation in the Alps (Muttoni et al, 2003). PCA and similarity analysis from core samples show that the longitudinal trunk river at this time was shifted southward by the rapid southward and westward progradation of transverse alluvial river systems fed from the Central and Southern Alps. Sediments were transported southward by braided river systems as well as glacial sediments transported by Alpine valley glaciers invaded the alluvial plain. Kew words: Detrital modes; Modern sands; Provenance; Principal Components Analysis; Similarity, Canberra Distance; palaeodrainage

100 formas de ahorrar.

En la educación primaria se presentan las áreas como un conjunto de saberes organizados que, se supone, explican la realidad y ayudan a desenvolverse en ella. Sin embargo, para garantizar la educación integral de los individuos, ha parecido necesario incorporar al currículum unas lineas educativas y de contenido que son esenciales en toda educación. Son los temas transversales, campos de la realidad en los que todas las personas crecen y se desarrollan individual y colectivamente y que no se pueden obviar en una educación que se precie de ser integral. El presente documento va dirigido a alumnos y alumnas del ciclo tercero de educación primaria y trata de presentar dos realidades cotidianas, a veces semiocultas para este tramo de edad: la presencia de actividades sonoras molestas para los individuos y las numerosas fórmulas que existen para ahorrar. Se trata de una propuesta didáctica sencilla que no puede abarcar este amplio campo de estudio, pero que sí puede servir para introducir en el tema y provocar en el alumnado la aparición de conductas y actitudes de buen consumidor.

Un nuevo modelo de aprendizaje basado en problemas, el ABP 4x4, es eficaz para desarrollar competencias profesionales valiosas en asignaturas con m??s de 100 alumnos

Resumen tomado de la publicaci??n. Resumen tambi??n en ingl??s