American national standard for information sciences : extended latin alphabet coded character set for bibliographic use /

"ANSI Z39.47-1985."

Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions

This thesis deals with the so-called Basis Set Superposition Error (BSSE) from both a methodological and a practical point of view. The purpose of the present thesis is twofold: (a) to contribute step ahead in the correct characterization of weakly bound complexes and, (b) to shed light the understanding of the actual implications of the basis set extension effects in the ab intio calculations and contribute to the BSSE debate. The existing BSSE-correction procedures are deeply analyzed, compared, validated and, if necessary, improved. A new interpretation of the counterpoise (CP) method is used in order to define counterpoise-corrected descriptions of the molecular complexes. This novel point of view allows for a study of the BSSE-effects not only in the interaction energy but also on the potential energy surface and, in general, in any property derived from the molecular energy and its derivatives A program has been developed for the calculation of CP-corrected geometry optimizations and vibrational frequencies, also using several counterpoise schemes for the case of molecular clusters. The method has also been implemented in Gaussian98 revA10 package. The Chemical Hamiltonian Approach (CHA) methodology has been also implemented at the RHF and UHF levels of theory for an arbitrary number interacting systems using an algorithm based on block-diagonal matrices. Along with the methodological development, the effects of the BSSE on the properties of molecular complexes have been discussed in detail. The CP and CHA methodologies are used for the determination of BSSE-corrected molecular complexes properties related to the Potential Energy Surfaces and molecular wavefunction, respectively. First, the behaviour of both BSSE-correction schemes are systematically compared at different levels of theory and basis sets for a number of hydrogen-bonded complexes. The Complete Basis Set (CBS) limit of both uncorrected and CP-corrected molecular properties like stabilization energies and intermolecular distances has also been determined, showing the capital importance of the BSSE correction. Several controversial topics of the BSSE correction are addressed as well. The application of the counterpoise method is applied to internal rotational barriers. The importance of the nuclear relaxation term is also pointed out. The viability of the CP method for dealing with charged complexes and the BSSE effects on the double-well PES blue-shifted hydrogen bonds is also studied in detail. In the case of the molecular clusters the effect of high-order BSSE effects introduced with the hierarchical counterpoise scheme is also determined. The effect of the BSSE on the electron density-related properties is also addressed. The first-order electron density obtained with the CHA/F and CHA/DFT methodologies was used to assess, both graphically and numerically, the redistribution of the charge density upon BSSE-correction. Several tools like the Atoms in Molecules topologycal analysis, density difference maps, Quantum Molecular Similarity, and Chemical Energy Component Analysis were used to deeply analyze, for the first time, the BSSE effects on the electron density of several hydrogen bonded complexes of increasing size. The indirect effect of the BSSE on intermolecular perturbation theory results is also pointed out It is shown that for a BSSE-free SAPT study of hydrogen fluoride clusters, the use of a counterpoise-corrected PES is essential in order to determine the proper molecular geometry to perform the SAPT analysis.

Brill Greek, Adobe Arno Pro, Adobe Text/Brevier Greek typefaces

Typeface design: a series of collaborative projects commissioned by Adobe, Inc. and Brill to develop extensive polytonic Greek typefaces. The two Adobe typefaces can be seen as extension of previous research for the Garamond Premier Pro family (2005), and concludes a research theme started in 1998 with work for Adobe’s Minion Pro Greek. These typefaces together define the state of the art for text-intensive Greek typesetting for wide character set texts (from classical texts, to poetry, to essays, to prose). They serve both as exemplar for other developers, and as vehicles for developing the potential of Greek text typography, for example with the parallel inclusion of monotonic and polytonic characters, detailed localised punctuation options, fluid handling of case-conversion issues, and innovative options such as accented small caps (originally requested by bibliographers, and subsequently rolled out to a general user base). The Brill typeface (for the established academic publisher) has an exceptionally wide character set to cover several academic disciplines, and is intended to differentiate sufficiently from its partner Latin typeface, while maintaining a clear texture in both offset and low-resolution print-on-demand reproduction. This work involved substantial amounts of testing and modifying the design, especially of diacritics, to maintain clarity the readability of unfamiliar words. All together these typefaces form a study in how Greek typesetting meets contemporary typographic requirements, while resonating with historically accurate styles, where these are present. Significant research in printing archives helped to identify appropriate styles, as well as originate variants that are coherent stylistically, even when historical equivalents were absent.

Geographic variation of the greater white-toothed shrew (Crocidura russula Hermann, 1780 Mammalia, Soricidae)

A multivariate morphometric study of the Greater white-toothed shrew (C. russula) throughout its Palearctic range was carried out to search for patterns of geographic variation within the species boundary. Burnaby's and multiple group principal component analysis allowed the adjustment of raw data with respect to within-sample allometric variation. Multivariate 'size-free' results show a stepped dine with the phenotypical trait reduction and shape change from the eastern to the western Maghreb. Pleistocene fossil mandibles proved to have low phenetic distances with eastern populations (Tunisia, east Algeria) and it is argued that their character set is the primitive condition. The ancestral Mid-Pleistocene shrews lived in a relatively more humid climate. Gee-climatic changes in the north African range during the Quaternary provoked phenetic variation of C. russula and, it can be argued, evolution of the modern western C.r. yebalensis. A historical process can thus be assumed as the main cause of this categorical variation, by segmentation of the species range due to gee-climatic events. Morphometric discontinuity within the C. russula Maghreb range is shown to be congruent with karyological and biochemical studies. Moroccan and Tunisian shrews differ, for example, in NFa chromosomes and electrophoretical traits. A stasipatric process should be invoked to explain categorical variation in the Maghreb range. Colonization and divergence of insular populations results in more or less differentiated geographic races. The populations of Ibiza and Pantelleria are close to the species threshold (Nei's D greater than or equal to 0.1). The process of speciation undergone by the Greater white-toothed shrew results in a complex pattern of geographic variation, including both allopatric and non-allopatric modes.

Global deployment of a short message gateway

Lyhytsanomiin perustuvat lisäarvopalvelut ovat viime vuosikymmenen lopulla kehittyneet nopeasti parhaimmin tuottaviksi mobiilin televerkon käyttötavoista. Nämä palvelut on monesti kehitetty nopeasti ottamatta huomioon mahdollisia siirrettävyysongelmia, joita palveluiden vieminen muihin kuin alkuperäiseen ympäristöön aiheuttaa. Tämän työn tarkoituksena on tutkia odotettavissa olevia teknisiä ongelmia vietäessä lyhytsanomapohjaisia palveluita kansainvälisille markkinoille. Ongelman ratkaisuna esitellään Intellitel Messaging Gateway (MGw) - yhdyskäytävä, joka tarjoaa mahdollisuuden avointen internet-protokollien kautta tarjottavaan lisäarvopalveluiden luontiin. Työn käytännön osuus koostuu valikoimasta pieniä suunnittelu- ja toteutustehtäviä, joiden tarkoituksena on korjata kansainvälistä verkkoonvientiä estäviä ominaisuuksia ja puutteita Intellitel MGw:ssä. Näistä ominaisuuksista tärkeimmät ovat merkistö-, osoitteistus- ja protokollayhteensopivuuden asettamat rajoitukset.

Alverata: Latin, Greek and Cyrillic typeface

Alverata: a typeface design for Europe This typeface is a response to the extraordinarily diverse forms of letters of the Latin alphabet in manuscripts and inscriptions in the Romanesque period (c. 1000–1200). While the Romanesque did provide inspiration for architectural lettering in the nineteenth century, these letterforms have not until now been systematically considered and redrawn as a working typeface. The defining characteristic of the Romanesque letterform is variety: within an individual inscription or written text, letters such as A, C, E and G might appear with different forms at each appearance. Some of these forms relate to earlier Roman inscriptional forms and are therefore familiar to us, but others are highly geometric and resemble insular and uncial forms. The research underlying the typeface involved the collection of a large number of references for lettering of this period, from library research and direct on-site ivestigation. This investigation traced the wide dispersal of the Romanesque lettering tradition across the whole of Europe. The variety of letter widths and weights encountered, as well as variant shapes for individual letters, offered both direct models and stylistic inspiration for the characters and for the widths and weight variants of the typeface. The ability of the OpenType format to handle multiple stylistic variants of any one character has been exploited to reflect the multiplicity of forms available to stonecutters and scribes of the period. To make a typeface that functions in a contemporary environment, a lower case has been added, and formal and informal variants supported. The pan-European nature of the Romanesque design tradition has inspired an pan-European approach to the character set of the typeface, allowing for text composition in all European languages, and the typeface has been extended into Greek and Cyrillic, so that the broadest representation of European languages can be achieved.

Online orthographies

The representation in online environments of non-Roman-based script languages has proved problematic. During the initial years of Computer-mediated Communication, the American Standard Code for Information Interchange character set only supported Roman-alphabeted languages. The solution for speakers of languages written in non-Roman scripts was to employ unconventional writing systems, in an effort to represent their native language in online discourse. The first aim of this chapter is to present the different ways that internet users choose to transliterate or even transcribe their native languages online, using Roman characters. With technological development, and consequently the availability of various writing scripts online, internet users now have the option to either use Roman characters or their native script. If the latter is chosen, internet users still seem to deviate from conventional ways of writing, in this case, however, with regards to spelling. The second aim, therefore, is to bring into light recent developments, by looking at the ways that internet users manipulate orthography, to achieve their communicative purposes.

Morphology of terebelliform polychaetes (Annelida: Polychaeta: Terebelliformia), with a focus on Terebellidae

The morphology of terebelliform polychaetes was investigated for a phylogenetic study focused on Terebellidae. For this study, specimens belonging to 147 taxa, preferably type material or specimens from type localities or areas close to them, were examined under stereo, light and scanning electron microscopes. The taxa examined were 1 Pectinariidae, 2 Ampharetidae, 2 Alvinellidae, 8 Trichobranchidae, and 134 Terebellidae, which included 8 Polycirrinae, 15 Thelepodinae, and 111 Terebellinae. A comparison of the morphology, including prostomium, peristomium, anterior segments and lobes, branchiae, glandular venter, nephridial and genital papillae, notopodia and notochaetae, neuropodia and neurochaetae, and posterior end, was made of all the currently recognized families of terebelliform polychaetes, with special emphasis on Terebellidae. A discussion of the characters useful to distinguish between genera is given. This character set will be used in a subsequent phylogenetic study (Nogueira & Hutchings in prep.)

Uso da krigagem indicatriz na avaliação de indicadores de fertilidade do solo

Este trabalho teve como objetivo identificar zonas diferenciadas de manejo por meio de indicadores de fertilidade em Latossolos cultivados com cana-de-açúcar, utilizando-se a técnica de krigagem indicatriz, com vistas em buscar um aprimoramento na utilização de técnicas de agricultura de precisão. O estudo foi realizado em uma área de 90 ha pertencente a uma área maior de 1.900 ha, localizada em Jaboticabal, Estado de São Paulo, Brasil (21 ° 15 ' S e 48 ° 18 ' W). Na área experimental, foi estabelecida uma malha de amostragem regular de 50 m, com 420 pontos. em cada ponto, coletou-se uma amostra de solo, na qual foram determinados os teores de matéria orgânica, P, K disponíveis e o valor de V. Os dados obtidos para estas características do solo, assim como as combinações entre elas, foram codificados em valores indicadores 0 ou 1, conforme as variáveis apresentassem valores acima ou abaixo do valor de corte estabelecido, escolhido para cada variável, respectivamente. Os resultados propiciaram a confecção de mapas de probabilidade de cada variável (individual e combinada), o que possibilitou identificar regiões com diferentes níveis de fertilidade do solo na área experimental.

Dois jogos de linguagem: a informática e a matemática na aprendizagem de função quadrática

Esta pesquisa foi realizada com o objetivo de identificar e analisar as relações entre as linguagens da Matemática e da Informática no contexto da sala de aula, a partir da inserção das tecnologias informáticas na aprendizagem da Função Quadrática. Nesse sentido, os conceitos que envolvem a forma algébrica e forma gráfica desta função, foram observados pelos alunos ao explorar aspectos dinâmicos na interface do Geogebra. A fundamentação teórica da pesquisa, foi subsidiada pelas ideias de Pierre Lévy sobre as tecnologias da inteligência na disseminação da informação e do conhecimento, bem como pelas contribuições filosóficas de Ludwig Wittgenstein acerca do jogo de linguagem. A metodologia da pesquisa possui caráter qualitativo definido a partir de critérios específicos acerca do objeto de estudo e dos sujeitos investigados. As informações foram obtidas por meio de questões específicas aplicadas em dois momentos, a saber: antes e após a realização de um minicurso sobre o GeoGebra. As análises das questões revelaram que os aspectos visuais e os movimentos no uso do computador, estabelecem relações entre as formas algébricas e gráficas da função quadrática. Assim, eles puderam perceber que os coeficientes numéricos modificam a parábola e isso dá sentido aos conceitos estudados. O uso do GeoGebra possibilita outras formas de aprendizagem evidenciadas entre o Jogo de Linguagem da Matemática e o Jogo de Linguagem da Informática no âmbito da Educação Matemática.

Congruence of fatty acid methyl ester profiles and morphological characters of arbuscular mycorrhizal fungi in Gigasporaceae.

Arbuscular mycorrhizal (AM) fungi (Order Glomales, Class Zygomycetes) are a diverse group of soil fungi that form mutualistic associations with the roots of most species of higher plants. Despite intensive study over the past 25 years, the phylogenetic relationships among AM fungi, and thus many details of evolution of the symbiosis, remain unclear. Cladistic analysis was performed on fatty acid methyl ester (FAME) profiles of 15 species in Gigaspora and Scutellospora (family Gigasporaceae) by using a restricted maximum likelihood approach of continuous character data. Results were compared to a parsimony analysis of spore morphological characters of the same species. Only one tree was generated from each character set. Morphological and developmental data suggest that species with the simplest spore types are ancestral whereas those with complicated inner wall structures are derived. Spores of those species having a complex wall structure pass through stages of development identical to the mature stages of simpler spores, suggesting a pattern of classical Haeckelian recapitulation in evolution of spore characters. Analysis of FAME profiles supported this hypothesis when Glomus leptotichum was used as the outgroup. However, when Glomus etunicatum was chosen as the outgroup, the polarity of the entire tree was reversed. Our results suggest that FAME profiles contain useful information and provide independent criteria for generating phylogenetic hypotheses in AM fungi. The maximum likelihood approach to analyzing FAME profiles also may prove useful for many other groups of organisms in which profiles are empirically shown to be stable and heritable.

A novel methodology for simulating contact-line behavior in capillary-driven flows

Despite the wide swath of applications where multiphase fluid contact lines exist, there is still no consensus on an accurate and general simulation methodology. Most prior numerical work has imposed one of the many dynamic contact-angle theories at solid walls. Such approaches are inherently limited by the theory accuracy. In fact, when inertial effects are important, the contact angle may be history dependent and, thus, any single mathematical function is inappropriate. Given these limitations, the present work has two primary goals: 1) create a numerical framework that allows the contact angle to evolve naturally with appropriate contact-line physics and 2) develop equations and numerical methods such that contact-line simulations may be performed on coarse computational meshes.

Fluid flows affected by contact lines are dominated by capillary stresses and require accurate curvature calculations. The level set method was chosen to track the fluid interfaces because it is easy to calculate interface curvature accurately. Unfortunately, the level set reinitialization suffers from an ill-posed mathematical problem at contact lines: a ``blind spot'' exists. Standard techniques to handle this deficiency are shown to introduce parasitic velocity currents that artificially deform freely floating (non-prescribed) contact angles. As an alternative, a new relaxation equation reinitialization is proposed to remove these spurious velocity currents and its concept is further explored with level-set extension velocities.

To capture contact-line physics, two classical boundary conditions, the Navier-slip velocity boundary condition and a fixed contact angle, are implemented in direct numerical simulations (DNS). DNS are found to converge only if the slip length is well resolved by the computational mesh. Unfortunately, since the slip length is often very small compared to fluid structures, these simulations are not computationally feasible for large systems. To address the second goal, a new methodology is proposed which relies on the volumetric-filtered Navier-Stokes equations. Two unclosed terms, an average curvature and a viscous shear VS, are proposed to represent the missing microscale physics on a coarse mesh.

All of these components are then combined into a single framework and tested for a water droplet impacting a partially-wetting substrate. Very good agreement is found for the evolution of the contact diameter in time between the experimental measurements and the numerical simulation. Such comparison would not be possible with prior methods, since the Reynolds number Re and capillary number Ca are large. Furthermore, the experimentally approximated slip length ratio is well outside of the range currently achievable by DNS. This framework is a promising first step towards simulating complex physics in capillary-dominated flows at a reasonable computational expense.

Flexibilidade no espaço doméstico

Dissertação para obtenção do grau de Mestre em Arquitectura, apresentada na Universidade de Lisboa - Faculdade de Arquitetura.

ON ISOMORPHIC CLASSIFICATIONS OF SPACES OF COMPACT OPERATORS

We prove an extension of the classical isomorphic classification of Banach spaces of continuous functions on ordinals. As a consequence, we give complete isomorphic classifications of some Banach spaces K(X,Y(n)), eta >= omega, of compact operators from X to Y(eta), the space of all continuous Y-valued functions defined in the interval of ordinals [1, eta] and equipped with the supremum norm. In particular, under the Continuum Hypothesis, we extend a recent result of C. Samuel by classifying, up to isomorphism, the spaces K(X(xi), c(0)(Gamma)(eta)), where omega <= xi < omega(1,) eta >= omega, Gamma is a countable set, X contains no complemented copy of l(1), X* has the Mazur property and the density character of X** is less than or equal to N(1).