" Studies on Laser induced Phatothermal Phenomena in Selected Organic Compounds and Fullerenes"

In the pre—laser era it was difficult to believe that the optical properties of a medium depend upon the intensity of the radiation incident on it. The basis for this conclusion is that the electric field strength associated with the conventional light sources used before the advent of lasers was much smaller than (103 V/cm) the field sttrengths of atomic or interatomic fields (2 107 —- 10” V/cm). The radiation with such low intensity is not able to affect atomic fields to the extent of changing optical parameters. The invention of laser in 1960 was a turning point. The high degree of coherence of the laser radiation provides high spatial concentration of optical power. With the availability of the femtosecond lasers it has become possible to get extremely high peak powers 2 1013 W/cmz). At such high fields, the relationship between electric ‘polarization P and the electric field strength E ceases to be linear and several nonlinear effects begin to occur. Nonlinear absorption, a branch of nonlinear optics, refers to the interaction between radiation and matter accompanied by absorption of more than one photon. Nonlinear absorption has acquired great importance after the invention of high power lasers. One of the objectives of the present work is to investigate the nonlinear absorption processes occurring in fullerene, selected organic solvents and laser dyes. Fullerenes and laser dyes were chosen because of their highly nonlinear behaviour. Fullerenes, the most beautiful among molecules, offer fascinating field of research owinglto their significant structural properties. As toluene, benzene and carbon disulphide are themost widely used solvents for fullerenes, it seems important to study the nonlinear properties of these liquids as well. Like fullerenes, laser dyes also possess highly delocalized 7r electrons which are responsible for their nonlinear absorption. Dye lasers were the fulfillment of an experimenter’s pipe dream - to have a laser that is easily tunable over a wide range of wavelengths. A better understandingof the photophysical properties of laser dyes can significantly enhance the development and technology of dye lasers. We studied the nonlinear absorption properties of two rhodamine dyes to have some insight into their nonlinear optical properties.

Using Neural Network Classifier Support Vector Machine Regression for the prediction of Melting Point of Drug – like compounds

In our study we use a kernel based classification technique, Support Vector Machine Regression for predicting the Melting Point of Drug – like compounds in terms of Topological Descriptors, Topological Charge Indices, Connectivity Indices and 2D Auto Correlations. The Machine Learning model was designed, trained and tested using a dataset of 100 compounds and it was found that an SVMReg model with RBF Kernel could predict the Melting Point with a mean absolute error 15.5854 and Root Mean Squared Error 19.7576

Photoluminescence studies of spray pyrolytically grown nanostructured tin oxide semiconductor thin films on glass substrates

SnO2 nanocrystalline thin films were deposited on glass substrates by the spray pyrolysis technique in air atmosphere at 375, 400, 425, 450 and 500 ◦C substrate temperatures. The obtained films were characterized by using XRD. The room temperature photoluminescence (PL) spectra of these films have near band edge (NBE) and deep level emission under the excitation of 325 nm radiation. NBE PL peak intensity decreased consistently with temperatures for samples prepared at 400, 450 and 500 ◦C, while a sudden reduction in intensity is observed for the sample prepared at 425 ◦C. A similar effect was observed for the optical transmittance spectra. These effects can be explained on the basis of the change in population of oxygen vacancies as indicated by the change in a values

Prediction of some thermodynamic properties of selected compounds of element 104

A set of parametrized equations has been published by Bratsch and Lagowski for calculating thermodynamic properties of the lanthanides, actinides, element 104, and certainrelated elements. Since these equations were applied to element 104, new values for the first four ionization energies and radii of the ions of charge +1, +2, +3, and +4 have been calculated for this element. The parametrized equations are used here with these new values to calculate some thermodynamic properties of element 104.

Synthesis of N-amino compounds and C2 symmetric N-amino compounds and transformation into aziridines using olefins

Aziridine, Stickstoffanaloga der Epoxide, können regio- und stereoselektive Ringöffnungsreaktionen eingehen, wodurch ihnen als „building blocks“ in der Organischen Synthese eine große Bedeutung zukommt. In dieser Arbeit wurden unterschiedliche N-Aminoverbindungen synthetisiert sowie die Anwendungsmöglichkeit dieser Hydrazinderivate als Stickstoffquellen in Aziridinierungen von Olefinen untersucht. In der vorliegenden Dissertation wurde eine neue Methode zur Darstellung von N-Aminosuccinimid entwickelt und die Einsatzmöglichkeit als Stickstoffquelle in Aziridinierungsreaktionen in einer Reihe von Umsetzungen mit funktionalisierten ebenso wie mit nicht-funktionalisierten Olefinen demonstriert. Die ableitbaren Aziridine wurden hierbei in Ausbeuten von bis zu 80 % erhalten. In der Aziridinierungsreaktion von N-Aminosuccinimid mit 4,7-Dihydro-2-isopropyl-1,3-dioxepin resultieren bicyclische Aziridinierungsprodukte, die als endo/exo-Isomere in einem 1:1-Verhältnis anfallen. Es ist in dieser Arbeit gelungen, die Isomere in guten Ausbeuten zu erhalten, sie säulenchromatographisch zu trennen und ihre Konfiguration im festen Zustand mittels Kristallstrukturanalyse eindeutig zu bestimmen. Enantiomerenangereicherte Olefine, wie z. B. in 2-Position alkylsubstituierte 5-Methyl-4H-1,3-dioxine mit Enantiomerenüberschüssen von 92% ee liefern in der Aziridinierung mit N-Aminosuccinimid und Iodosylbenzol ein 4-Methyl-1,3-oxazolidin-4-carbaldehydderivat in einer zweistufigen Reaktion- der Aziridinierung und einer Umlagerung- ein 4-Methyl-1,3-oxazolidin-4-carbaldehydderivat. Für die Diastereoselektivität des Aziridinierungsschrittes wurde 65 % de bestimmt. In einer neuen Synthese über zwei Stufen ausgehend von (+)-3,4-Dimethoxysuccinanhydrid konnte ein chiraler Stickstoffüberträger - (+)-N-Amino-3,4-dimethoxysuccinimid - in Ausbeuten bis zu 86 % synthetisiert. Die Umsetzung dieser optisch aktiven Stickstoffquelle mit einer Vielzahl prochiraler Alkene führt zu diastereomeren Aziridinen in Ausbeuten bis zu 65% und Diastereoselektivitäten von bis zu 66% de. Anhand ausgewählter Verbindungen konnten die Absolutkonfigurationen der Reaktionsprodukte mittels Kristallstrukturanalyse eindeutig geklärt werden.

Optical amplification and stability of spiroquaterphenyl compounds and blends

In this contribution, we present a systematic investigation on a series of spiroquaterphenyl compounds optimised for solid state lasing in the near ultraviolet (UV). Amplified spontaneous emission (ASE) thresholds in the order of 1 μJ/cm2 are obtained in neat (undiluted) films and blends, with emission peaks at 390 1 nm for unsubstituted and meta-substituted quaterphenyls and 400 4 nm for para-ether substituted quaterphenyls. Mixing with a transparent matrix retains a low threshold, shifts the emission to lower wavelengths and allows a better access to modes having their intensity maximum deeper in the film. Chemical design and blending allow an independent tuning of optical and processing properties such as the glass transition.

A pilot investigation of the relationship between climate variability and milk compounds under the bootstrap technique

This study analyzes the linear relationship between climate variables and milk components in Iran by applying bootstrapping to include and assess the uncertainty. The climate parameters, Temperature Humidity Index (THI) and Equivalent Temperature Index (ETI) are computed from the NASA-Modern Era Retrospective-Analysis for Research and Applications (NASA-MERRA) reanalysis (2002–2010). Milk data for fat, protein (measured on fresh matter bases), and milk yield are taken from 936,227 milk records for the same period, using cows fed by natural pasture from April to September. Confidence intervals for the regression model are calculated using the bootstrap technique. This method is applied to the original times series, generating statistically equivalent surrogate samples. As a result, despite the short time data and the related uncertainties, an interesting behavior of the relationships between milk compound and the climate parameters is visible. During spring only, a weak dependency of milk yield and climate variations is obvious, while fat and protein concentrations show reasonable correlations. In summer, milk yield shows a similar level of relationship with ETI, but not with temperature and THI. We suggest this methodology for studies in the field of the impacts of climate change and agriculture, also environment and food with short-term data.

Grain size analyses in tin-lead glazes based on 2d-sections

A problem in the archaeometric classification of Catalan Renaissance pottery is the fact, that the clay supply of the pottery workshops was centrally organized by guilds, and therefore usually all potters of a single production centre produced chemically similar ceramics. However, analysing the glazes of the ware usually a large number of inclusions in the glaze is found, which reveal technological differences between single workshops. These inclusions have been used by the potters in order to opacify the transparent glaze and to achieve a white background for further decoration. In order to distinguish different technological preparation procedures of the single workshops, at a Scanning Electron Microscope the chemical composition of those inclusions as well as their size in the two-dimensional cut is recorded. Based on the latter, a frequency distribution of the apparent diameters is estimated for each sample and type of inclusion. Following an approach by S.D. Wicksell (1925), it is principally possible to transform the distributions of the apparent 2D-diameters back to those of the true three-dimensional bodies. The applicability of this approach and its practical problems are examined using different ways of kernel density estimation and Monte-Carlo tests of the methodology. Finally, it is tested in how far the obtained frequency distributions can be used to classify the pottery

Comparison studies of tin deposits (Priamurye, Russia) using the Aitchison’s methodology

A study of tin deposits from Priamurye (Russia) is performed to analyze the differences between them based on their origin and also on commercial criteria. A particular analysis based on their vertical zonality is also given for samples from Solnechnoe deposit. All the statistical analysis are made on the subcomposition formed by seven trace elements in cassiterite (In, Sc, Be, W, Nb, Ti and V) using the Aitchison’ methodology of analysis of compositional data

From Tin Toy to Android

This presentation is intended to show the use of Adobe Presenter to create a narrated presentation, and can be compared with the version recorded using Camtasia Studio.

From Tin Toy to Android

This presentation is intended to show the use of Camtasia Studio to create a narrated presentation, and can be compared with the version recorded using Adobe Presenter.

Elements and compounds.

Todas las sustancias están hechas de elementos y compuestos, ó de una mezcla de los dos y su estudio forma parte de la química. Este texto nos permite conocer cómo ésta se desarrolla no sólo en los laboratorios y entre científicos, sino también en fábricas y plantas químicas, y con múltiples aplicaciones: en la fabricación de fibras sintéticas para los tejidos, de explosivos para los fuegos artificiales, de disolventes para las pinturas, de fertilizantes para los cultivos y de medicamentos para tratar enfermedades.

The properties of elements and compounds.

Explica los conceptos de materia, átomo y molécula, así cómo las propiedades de cada uno de ellos, y los estados en que se puede encontrar la materia en la Tierra: sólido, líquido y gaseoso. También, se explican las diferencias entre los elementos: calcio, potasio, sodio, etc., los compuestos: oxígeno, bicarbonato sódico, y la mezcla de ambos: suspensión y solucion; y se muestra la tabla periódica de los elementos. Está adaptado a alumnos de once a catorce años, que cursan la etapa 3 (Key Stage 3 del curriculo nacional inglés.

O2 activation at bioinspired complexes: dinuclear copper systems and mononuclear non-heme iron compounds. Mechanisms and catalytic applications in oxidative transformations

L'activació d'oxigen que té lloc en els éssers vius constitueix una font d'inspiració pel desenvolupament d'alternatives als oxidants tradicionals, considerats altament tòxics i nocius. En aquesta treball s'utilitzen compostos sintètics com a models del centre actiu de proteïnes dinuclears de coure i mononuclears de ferro de tipus no-hemo que participen en l'activació d'oxigen en els éssers vius. Els sistemes dinuclears de coure mostren un centre de tipus coure(III) bis(oxo) que és capaç de dur a terme l'ortho-hidroxilació de fenols de manera similar a la reacció que catalitza la proteïna tirosinasa. Per altra banda, els sistemes de ferro desenvolupats en aquest treball actuen com a models de les dioxigenases de Rieske i poden dur a terme l'hidroxilació estereoespecífica d'alcans i l'epoxidació i cis-dihidroxilació d'olefines utilitzant peròxid d'hidrogen com a agent oxidant. Tot plegat demostra que el desenvolupament de sistemes model constitueix una bona estratègia per l'estudi dels sistemes naturals.

Theoretical studies of the exohedral reactivity of fullerene compounds

Des del descobriment del buckminster ful.lerè el 1985, s'ha despertat un interés enorme per entendre la reactivitat química així com les propietats d'aquests compostos. La funcionalització exoèdrica del ful.lerè més abundant, el C60, està força ben establerta. Tanmateix, la investigació en aquest camp encara continua oberta ja que s'han sintetitzat una gran varietat de derivats molt prometedors donades les seves futures aplicacions. La tesi comprèn quinze capítols que contenen set publicacions relacionades. Els primers dos estudis es basen en la reacció Diels-Alder sobre els anomenats metal.loful.lerens endoèdrics TNT X3N@C78, X= Sc, Y. Aquest projecte de investigació està motivat pel desconeixament existent sobre les possibles conseqüències de l'encapsulació del grup X3N. El tercer estudi descriu minuciosament els canvis detectats en la funcionalització exoèdrica un cop s'ha produït l'encapsulació dels diferents gasos nobles. En aquesta tesi s'estudia en detall l'ús de l'aproximació ONIOM per a estudiar reaccions de cicloaddició en compostos ful.lerènics. Els resultats d'aquest projecte són d'alt interès per a la realització dels estudis posteriors sobre la reacció de Diels-Alder i la 1,3-dipolar en ful.lerens i derivats. Finalment, l'última part d'aquesta tesi es basa en les propietats antioxidants de determinats ful.lerens. A l'últim treball inclòs en aquesta tesi s'estudia en detall el mecanismo de reacció per a la eliminació del ió superòxid en presència de ful.lerens.