Electronic structure of a neutral oxygen vacancy in SrTiO3

The electronic structure of an isolated oxygen vacancy in SrTiO3 has been investigated with a variety of ab initio quantum mechanical approaches. In particular we compared pure density functional theory (DFT) approaches with the Hartree-Fock method, and with hybrid methods where the exchange term is treated in a mixed way. Both local cluster models and periodic calculations with large supercells containing up to 80 atoms have been performed. Both diamagnetic (singlet state) and paramagnetic (triplet state) solutions have been considered. We found that the formation of an O vacancy is accompanied by the transfer of two electrons to the 3d(z2) orbitals of the two Ti atoms along the Ti-Vac-Ti axis. The two electrons are spin coupled and the ground state is diamagnetic. New states associated with the defect center appear in the gap just below the conduction band edge. The formation energy computed with respect to an isolated oxygen atom in the triplet state is 9.4 eV.

Studies On Oxygen Minimum Layer In The Arabian Sea In Relation To The Oceanic Circulation

The thesis is divided into six chapters, with Further subdivisions.’ Chapter one has two sections. Section one deals with a general introduction, and section two,with the material and treatment of data For the present investigation. The second chapter concerns with the distribution of oxyty in the oxygen minimum layer and its topography during the southwest and northeast monsoons. The distribution of oxyty at various isanosteric surfaces within which the oxygen minimum layer lies during southwest and northeast monsoons and their topographies Form chapter three. In the fourth chapter the Flow pattern and its influence on the oxygen minimum layer are discussed. The fifth chapter presents the scatter diagrams of oxyty against temperature at the various isanosteric surfaces. The sixth chapter summarises the results of the investigation and presents the conclusions drawn therefrom

‘Modeling and Analysis of Competing Risks Data’

there has been much research on analyzing various forms of competing risks data. Nevertheless, there are several occasions in survival studies, where the existing models and methodologies are inadequate for the analysis competing risks data. ldentifiabilty problem and various types of and censoring induce more complications in the analysis of competing risks data than in classical survival analysis. Parametric models are not adequate for the analysis of competing risks data since the assumptions about the underlying lifetime distributions may not hold well. Motivated by this, in the present study. we develop some new inference procedures, which are completely distribution free for the analysis of competing risks data.

Studies On Bods And Dissolved Oxygen In The Kadinamkulam Kayal, Southern Kerala

This paper discusses the salient features associated with the variation in the BODs and dissolved oxygen concentration in the Kadinamkulam Kayal based on fortnightly data from two selected stations from October1987toSeptember1988.The BODs ranged from 5.76 to 24.39 mg/l in the surface water and from 4.96 to 22.60mg!1 in the bottom waterat station-l whereas at station-2, it ranged from 0 to 3.74mg/1 in the surface water and from 0 to 3.40 mg!l in the bottom water. The dissolved oxygen concentration ranged from 0 to 0.72 mglI in the surface water and from 0 to 0.42 mg!l in the bottom waterat station-I, At station-2 it ranged from 2.69 to 6.21mg!1 in the surface waterand from 1.97 to 5.74 mg!1 in the bottom water. The pre-monsoom period showed the highest BODsof 16.68mg!I while the monsoon period showed the lowest of 0.61 mg!I. The dissolved oxygen concentration reached its peak during the monsoon period (5.52 mg/I). Long spells of anoxic condition during the post and pre-monsoon periods was a characteristic feature of the retting zone

Reliable and Damage-Free Estimation of Resistivity of ZnO Thin Films for Photovoltaic Applications Using Photoluminescence Technique

This work projects photoluminescence (PL) as an alternative technique to estimate the order of resistivity of zinc oxide (ZnO) thin films. ZnO thin films, deposited using chemical spray pyrolysis (CSP) by varying the deposition parameters like solvent, spray rate, pH of precursor, and so forth, have been used for this study. Variation in the deposition conditions has tremendous impact on the luminescence properties as well as resistivity. Two emissions could be recorded for all samples—the near band edge emission (NBE) at 380 nm and the deep level emission (DLE) at ∼500 nm which are competing in nature. It is observed that the ratio of intensities of DLE to NBE ( DLE/ NBE) can be reduced by controlling oxygen incorporation in the sample. - measurements indicate that restricting oxygen incorporation reduces resistivity considerably. Variation of DLE/ NBE and resistivity for samples prepared under different deposition conditions is similar in nature. DLE/ NBE was always less than resistivity by an order for all samples.Thus from PL measurements alone, the order of resistivity of the samples can be estimated.

Das OEE-Protein 1 des Photosystem II (oxygen evolving enhancer) der Grünalge Scenedesmus obliquus besitzt Thioredoxin-Aktivität

Die Aminosäure-Sequenzierung an dem als "28 kDa-Thioredoxin f" beschriebenen Protein aus der Grünalge Scenedesmus obliquus hat gezeigt, dass dieses Protein mit dem als OEE bekannten Protein 1 aus dem Photosystem II identisch ist. Die früher postulierte Möglichkeit einer Fusion eines Thioredoxins mit einem Protein unbekannter Natur oder Insertion eines Thioredoxinfragments mit der typischen -Trp-Cys-Gly-Pro-Cys-Sequenz in ein solches Protein hat sich nicht bestätigt. Durch Anwendung einer auf das 33 kDa OEE-Protein ausgerichteten Präparationsmethode konnte gezeigt werden, dass das "28 kDa-Trx f" tatsächlich in den Thylakoidmembranen lokalisiert ist. Das Protein kann so innerhalb eines Tages in hoher Reinheit aus den Thylakoidmembranfragmenten eines Algenrohhomogenats isoliert werden; dabei bleibt die Fähigkeit des OEE-Proteins das chloroplastidäre Enzym Fructosebisphosphatase (FbPase) zu stimulieren erhalten. Mit gleichen Methoden wurden die Grünalgen Chlorella vulgaris und Chlamydomonas reinhardtii auf außergewöhnliche Proteine mit Trx-f Aktivität untersucht. Die hitze- und säurestabile Proteinfraktion aus Chlorella vulgaris enthält ein Protein mit vergleichbarer Molmasse von 26 kDa, das ähnlich wie in Scenedesmus eine Stimulation der chloroplastidären Fructosebisphosphatase zeigt. In dem hitze- und säurestabilen Proteinextrakt aus Chlamydomonas reinhardtii wird solche Aktivität nicht beobachtet. Eine Probe des rekombinanten, homogenen OEE-Proteins aus Spinat wurde auf Stimulation der chloroplastidären FbPase und NADPH-abhängigen Malatdehydrogenase (MDH) untersucht. Das Spinat OEE-Protein 1 zeigt mit diesen Enzymen keine Aktivität. Da das OEE-Protein 1 in Scenedesmus starke FbPase-Stimulation zeigt, die anderen Scenedesmus-Thioredoxine mit Molmassen von 12 kDa (Trx I und II) jedoch hohe Aktivität mit der zellulären Ribonucleotidreduktase zeigen, wird postuliert, dass das OEE-Protein die Funktion des Trx-f in vivo ersetzt.

Nuclear charge radii from X-ray transitions in muonic atoms of carbon, nitrogen and oxygen

Energies of muonic X-rays of the K-series of carbon, nitrogen and oxygen have been measured with an accuracy of about 15 eV. Root mean square radii of the nuclear charge distributions were deduced. The results 2.49±0.05 fm for carbon, 2.55 ±0.03 fm for nitrogen and 2.71 ±0.02 fm for oxygen are in good agreement at comparable accuracy with recent electron scattering data.

Prices versus exams as strategic instruments for competing universities

In this paper we investigate the optimal choice of prices and/or exams by universities in the presence of credit constraints. We first compare the optimal behavior of a public, welfare maximizing, monopoly and a private, profit maximizing, monopoly. Then we model competition between a public and a private institution and investigate the new role of exams/prices in this environment. We find that, under certain circumstances, the public university may have an interest to raise tuition fees from minimum levels if it cares for global welfare. This will be the case provided that (i) the private institution has higher quality and uses only prices to select applicants, or (ii) the private institution has lower quality and uses also exams to select students. When this is the case, there are efficiency grounds for raising public prices

Effects of In-Kind transfers on female labor supply: evidence from the food supply program comedores comunitarios

En la literatura se argumenta que las transferencias en especie podrían tener efectos positivos sobre la oferta laboral. En este trabajo utilizamos el programa de nutrición de la ciudad de Bogotá, Comedores Comunitarios, para esclarecer dicho punto. El programa otorga un almuerzo diario a las personas pobres que son vecinas de los comedores. Utilizando la técnica de emparejamiento con la Encuesta de Calidad de Vida 2007, una encuesta de corte transversal, se encuentra tanto efectos significativos positivos como negativos en la oferta laboral femenina para diferentes grupos de mujeres (con diferencias en edad, composición del hogar y acceso a redes sociales). Estos resultados son relevantes para entender los incentivos al trabajo heterogéneos generados cuando se aplica esta clase de programas.

Efecto de la hipoxia-reoxigenación y las radiaciones ionizantes en la captación de glucosa en líneas tumorales de seno y colon cocultivadas con células endoteliales.

La captación de glucosa y su conversión en lactato juega un papel fundamental en el metabolismo tumoral, independientemente de la concentración de oxígeno presente en el tejido (efecto Warburg). Sin embrago, dicha captación varía de un tipo tumoral a otro, y dentro del mismo tumor, situación que podría depender de las características microambientales tumorales (fluctuaciones de oxígeno, presencia de otros tipos celulares) y de factores estresores asociados a los tratamientos. Se estudió el efecto de la hipoxia-reoxigenación (HR) y las radiaciones ionizantes (RI) sobre la captación de glucosa, en cultivos de líneas tumorales MCF-7 y HT-29, cultivadas de forma aislada o en cocultivo con la línea celular EAhy296. Se encontró que la captación de glucosa en HR es diferente para lo descrito en condiciones de hipoxia permanente y que es modificada en el cocultivo. Se identificaron poblaciones celulares dentro de la misma línea celular, de alta y baja captación de glucosa, lo que implicaría una simbiosis metabólica de la célula como respuesta adaptativa a las condiciones tumorales. Se evaluó la expresión de NRF2 y la translocación nuclear de NRF2 y HIF1a, como vías de respuesta a estrés celular e hipoxia. La translocación nuclear de las proteínas evaluadas explicaría el comportamiento metabólico de las células tumorales de seno, pero no de colon, por lo cual deben existir otras vías metabólicas implicadas. Las diferencias en el comportamiento de las células tumorales en HR en relación con hipoxia permitirá realizar planeaciones dosimétricas más dinámicas, que reevalúen las condiciones de oxigenación tumoral constantemente.