Dissertations / Theses on the topic 'Harmony in change'

The thesis is based on the learning of word-orders in a cross-lingUistic and historic perspective. In linguistics, a certain hannony is expected in word order. X-bars of a language are supposed to be right-branched or left-branched. So, a language, which is right-branched has its head usually first, and a language, which is left-branched has its head usually last. In the generative framework, linguists argue that when a child encounters a structure where the head is to the right, she will assume that the whole language is constructed this way. Cognitive scientists like Christiansen argue that inconsistencies, that means a mixture of right- and left- branching are more difficult to learn because of recursive embeddings, and thus inconsistencies should simply die out or never come into existence in the first place. Greenberg established language universals after having considered forty languages. These universals would show consistencies in an X-bar branching, but Greenberg also cited exceptions and spoke of statistical universals. We are interested in these inconsistencies. If they are really more difficult to learn, why do they evolve in the first place and why are they often quite consistent in language evolution, i.e. they do not die out. Historical linguistics often argue that languages tend to develop from one consistent language via a transitional one and then develop again towards a consistent language. Inconsistent structures exist in most languages although there is a statistical trend towards consistencies. So, how do languages change and what makes persons learn at one stage a language differently and what are the mechanisms involved in learning that we can see as an end-result in language change. We will examine some of these phenomena, when we discuss�· language change in Romance, the introduction of postpositions in Gennan, and the role of the infinite verb in Gennan and in Old English. Experimental work has been done for the frontability of Gennan particles, which is closely linked to the introduction of postpositions. We did an experiment in English language for the role of the infinite verb in verb-final languages such as Gennan and replicated this experiment in French because of its richer verb morphology because this gives us a greater distinction between finite and infinite verbs. An SRN-simulation on the role of the infinite verb supports the experiments.

In this thesis, we are studying the issue of transformational leadership in Chinese context, which is subjected to social science category. The reason why we concentrate on this research issue is based on the limited available references of Chinese transformational leadership, on our personal interests of transformational leadership and on the rather interesting and mysterious Chinese context covering the influence of globalization, digitalization and so forth. At the same time, we will focus on two major research questions, what leaders and followers’ expectations are during transformation in Chinese companies and what skills and abilities Chinese transformational leaders need in practice.Since we have ascertained the research issue and questions, the methodology of grounded theory and relevant literatures of organizational change, full range of leadership model, followership, and skill approach laid the solid foundation for our further data collection and data analysis. And the way of interviewing and questionnaire as specific methods of data collection played a crucial role in gathering empirical data, which gives contributions to theory development for our research.Through collecting and analyzing data, we constructed our theory of Chinese transformational leadership. For improving transformation performance in Chinese companies, transformational leaders is required to take both leaders and followers’ expectations into consideration and to lead the transformation with effective leadership skills and abilities. In addition, we found that there is a new implication of transformational followership for readers and a comparatively vague concept of trust in transformation process in Chinese companies for further study.

Pendant la perception de la parole, les locuteurs sont biaisés par un grand nombre de facteurs. Par exemple, il existe des limitations cognitives comme la mémoire ou l’attention, mais aussi des limitations linguistiques comme leur langue maternelle. Cette thèse se concentre sur deux de ces facteurs : les biais de traitement pendant la reconnaissance des mots, et les biais d’apprentissage pendant le processus de transmission. Ces facteurs peuvent se combiner et, au cours du temps, influencer l’évolution des langues. Dans la première partie de cette thèse, nous nous concentrons sur le processus de la reconnaissance des mots. Des recherches antérieures ont établi l’importance des traits phonologiques (p. ex. le voisement ou le lieu d’articulation) pendant le traitement de la parole. Cependant, nous en savons peu sur leur poids relatif les uns par rapport aux autres, et comment cela peut influencer la capacité des locuteurs à reconnaître les mots. Nous avons testé des locuteurs français sur leur capacité à reconnaître des mots mal prononcés et avons trouvé que les traits de mode et de lieu sont plus importants que le trait de voisement. Nous avons ensuite considéré deux sources de cette asymétrie et avons trouvé que les locuteurs sont biaisés et par la perception acoustique ascendante (les contrastes de mode sont plus facile à percevoir à cause de leur distance acoustique importante) et par la connaissance lexicale descendante (le trait de lieu est plus exploité dans le lexique français que les autres traits). Nous suggérons que ces deux sources de biais se combinent pour influencer les locuteurs lors de la reconnaissance des mots. Dans la seconde partie de cette thèse, nous nous concentrons sur la question d’un biais d’apprentissage. Il a été suggéré que les apprenants peuvent être biaisés vers l’apprentissage de certains patrons phonologiques grâce à leurs connaissances phonétiques. Cela peut alors expliquer pourquoi certains patrons sont récurrents dans la typologie, tandis que d’autres restent rares ou non-attestés. Plus spécifiquement, nous avons exploré le rôle d’un biais d’apprentissage sur l’acquisition de la règle typologiquement commune de l’harmonie vocalique comparée à celle de la règle non-attestée (mais logiquement équivalente) de la disharmonie vocalique. Nous avons trouvé des preuves d’un biais d’apprentissage aussi bien en perception qu’en production. En utilisant un modèle d’apprentissage itéré simulé, nous avons ensuite montré comment un biais, même petit, favorisant l’un des patrons, peut influencer la typologie linguistique au cours du temps et donc expliquer (en partie) la prépondérance de systèmes harmoniques. De plus, nous avons exploré le rôle du sommeil sur la consolidation mnésique. Nous avons montré que seul le patron commun bénéficie d’une consolidation et que cela est un facteur supplémentaire pouvant contribuer à l’asymétrie typologique. Dans l’ensemble, cette thèse considère certaines des sources de biais possibles chez l’individu et discute de comment ces influences peuvent, au cours du temps, faire évoluer les systèmes linguistiques. Nous avons démontré la nature dynamique et complexe du traitement de la parole, à la fois en perception et dans l’apprentissage. De futurs travaux devront explorer plus en détail comment ces différentes sources de biais sont pondérées les unes relativement aux autres
During speech perception, listeners are biased by a great number of factors, including cognitive limitations such as memory and attention and linguistic limitations such as their native language. This thesis focuses on two of these factors: processing bias during word recognition, and learning bias during the transmission process. These factors are combinatorial and can, over time, affect the way languages evolve. In the first part of this thesis, we focus on the process of word recognition. Previous research has established the importance of phonological features (e.g., voicing or place of articulation) during speech processing, but little is known about their weight relative to one another, and how this influences listeners' ability to recognize words. We tested French participants on their ability to recognize mispronounced words and found that the manner and place features were more important than the voicing feature. We then explored two sources of this asymmetry and found that listeners were biased both by bottom-up acoustic perception (manner contrasts are easier to perceive because of their acoustic distance compared to the other features) and top-down lexical knowledge (the place feature is used more in the French lexicon than the other two features). We suggest that these two sources of bias coalesce during the word recognition process to influence listeners. In the second part of this thesis, we turn to the question of bias during the learning process. It has been suggested that language learners may be biased towards the learning of certain phonological patterns because of phonetic knowledge they have. This in turn can explain why certain patterns are recurrent in the typology while others remain rare or unattested. Specifically, we explored the role of learning bias on the acquisition of the typologically common rule of vowel harmony compared to the unattested (but logically equivalent) rule of vowel disharmony. We found that in both perception and production, there was evidence of a learning bias, and using a simulated iterated learning model, showed how even a small bias favoring one pattern over the other could influence the linguistic typology over time, thus explaining (in part) the prevalence of harmonic systems. We additionally explored the role of sleep on memory consolidation and showed evidence that the common pattern benefits from consolidation that the unattested pattern does not, a factor that may also contribute to the typological asymmetry. Overall, this thesis considers a few of the wide-ranging sources of bias in the individual and discusses how these influences can over time shape linguistic systems. We demonstrate the dynamic and complicated nature of speech processing (both in perception and learning) and open the door for future research to explore in finer detail just how these different sources of bias are weighted relative to one another

The purpose of this study was to determine if preschool children, specifically three- and four-year olds, were able to demonstrate recognition of chord changes and identify implied tonic-dominant chord changes as a result of age-appropriate instruction focusing on harmony. Sixteen preschool children (7, three-year-olds; 9, four-year-olds) were given 10, 15-minute lessons that consisted of activities designed to enhance their awareness of harmony. Following instruction, students were given a test that measured their ability to recognize chord changes with regular and irregular harmonic rhythm. Furthermore, subjects were asked to demonstrate audiation of the implied harmony in three unaccompanied melodies by performing chord changes on an electronic keyboard. Results indicated that preschool children (94%) could recognize tonic-dominant chord changes, especially when they occurred in a regular harmonic rhythm. A majority of students (69%) also showed mastery when chords were played in an irregular harmonic rhythm. Students were unable to demonstrate mastery in any of the audiation tasks. Following the 10-week treatment, eight of the original subjects continued for an additional 10 sessions. Instructional and testing procedures remained the same. The scores from the 10- and 20-week tests were compared using a repeated-measures ANOVA. Students showed significant improvement in their ability to recognize chord changes that were played in an irregular harmonic rhythm. A moderate correlation was found to exist between age and this same task.

Satellites provide humanity with data to infer properties of the earth that were impossible a century ago. Humanity can now easily monitor the amount of ice found on the polar caps, the size of forests and deserts, the earth’s atmosphere, the seasonal variation on land and in the oceans and the surface temperature of the earth. In this thesis, new hypertemporal techniques are proposed for the settlement detection problem in South Africa. The hypertemporal techniques are applied to study areas in the Gauteng and Limpopo provinces of South Africa. To be more specific, new sequential (windowless) and non-sequential hypertemporal techniques are implemented. The time-series employed by the new hypertemporal techniques are obtained from the Moderate Resolution Imaging Spectroradiometer (MODIS) sensor, which is on board the earth observations satellites Aqua and Terra. One MODIS dataset is constructed for each province. A Support Vector Machine (SVM) [1] that uses a novel noise-harmonic feature set is implemented to detect existing human settlements. The noise-harmonic feature set is a non-sequential hypertemporal feature set and is constructed by using the Coloured Simple Harmonic Oscillator (CSHO) [2]. The CSHO consists of a Simple Harmonic Oscillator (SHO) [3], which is superimposed on the Ornstein-Uhlenbeck process [4]. The noise-harmonic feature set is an extension of the classic harmonic feature set [5]. The classic harmonic feature set consists of a mean and a seasonal component. For the case studies in this thesis, it is observed that the noise-harmonic feature set not only extends the harmonic feature set, but also improves on its classification capability. The Cumulative Sum (CUSUM) algorithm was developed by Page in 1954 [6]. In its original form it is a sequential (windowless) hypertemporal change detection technique. Windowed versions of the algorithm have been applied in a remote sensing context. In this thesis CUSUM is used in its original form to detect settlement expansion in South Africa and is benchmarked against the classic band differencing change detection approach of Lunetta et al., which was developed in 2006 [7]. In the case of the Gauteng study area, the CUSUM algorithm outperformed the band differencing technique. The exact opposite behaviour was seen in the case of the Limpopo dataset. Sequential hypertemporal techniques are data-intensive and an inductive MODIS simulator was therefore also developed (to augment datasets). The proposed simulator is also based on the CSHO. Two case studies showed that the proposed inductive simulator accurately replicates the temporal dynamics and spectral dependencies found in MODIS data.
Thesis (PhD(Eng))--University of Pretoria, 2012.
Electrical, Electronic and Computer Engineering
unrestricted

Conjugated polymers are promising candidates for applications in all kinds of organic optoelectronic devices: OLEDs, organic field-effect transistors (OFETs) and organic photovoltaic cells. The main goal of this work was to investigate transport features of photogenerated electrical charge in pi-conjugated polymers by means of novel technique based on time-resolved electric field-induced second harmonic generation (TREFISH). TREFISH measurement setup was implemented in the laboratory of Molecular compounds physics, and applicability of the method has been verified. Measurements were performed on three different model polymers: methyl substituted ladder-type poly(para-phenylene) (MeLPPP), poly(fluorene-co-benzothiadiazole) (F8BT) and poly(spirobifluorene-co-benzothiadiazole) (PSF-BT), having different morphological and chemical structure. It has been found that motion of photogenerated charge carriers in π-conjugated polymer films experiences rapid dynamics after excitation. Different time domains of charge transport were distinguished. Initial fast transport of photogenerated charge carriers corresponds to the carrier motion along the single polymer chain or conjugated segment of the polymer chain. Slowest carrier motion phase is well described by the stochastic drift, which is attributed to interchain jumps and determines the macroscopic equilibrium mobility. Thus, the equilibrium mobility value is not applicable to the transport on nanometer scale up to tens of nanometers... [to full text]
Konjuguotieji polimerai kaip funkcinės medžiagos gali būti panaudoti įvairiuose prietaisuose: organiniuose šviestukuose, organiniuose lauko tranzistoriuose, organiniuose saulės elementuose. Šio darbo tikslas - nustatyti fotogeneruotų krūvininkų pernašos dėsningumus π – konjuguotuose polimeruose panaudojant naują žadinimo-zondavimo metodą pagrįstą išoriniu elektriniu lauku indukuota antrosios optinės harmonikos generacija. Pagrindinis dėmesys buvo skiriamas pernašos dinamikai. Molekulinių darinių fizikos laboratorijoje buvo įrengta matavimų schema ir įvertintas metodo tinkamumas krūvio pernašos tyrimams. Buvo atlikti krūvio pernašos matavimai trijuose skirtinguose konjuguotuosiuose polimeruose. Nustatyta, kad fotogeneruotų krūvininkų judris tuoj po sužadinimo yra daug didesnis lyginant su stacionaria judrio verte, o krūvio pernašos dinamiką lemia konjuguoto polimero struktūrinė hierarchija, krūvininkų judėjimas yra daugialypis, susidedantis iš greito judėjimo viena polimero grandine ar konjuguotais polimero grandinės segmentais ir lėto šokavimo tarp atskirų polimero grandinių Pirmą kartą detaliai išnagrinėta šviesa sugeneruotų krūvininkų pernašos dinamika konjuguotuose polimeruose. Darbo rezultatai suteikia žinių apie fundamentalius krūvininkų pernašos mechanizmus konjuguotuose polimeruose, kurios gali būti panaudotos kuriant organinius elektronikos prietaisus.

Le but de ce travail de thèse est de contrôler via un traitement de polarisation les propriétés physico-chimiques de surface des verres. Pour cela, l'implémentation d'une charge d'espace au sein de différents verres silicates et borosilicates a été caractérisée. Ces études comparatives ont montré que la déplétion des cations de l’anode vers la cathode induit l’apparition d’un champ électrique et des modifications structurales localisées. De plus, nous avons démontré que la formation d’un plasma entre l’anode et le verre pouvait être à l’origine de phénomènes d'échanges ioniques conduisant notamment à la formation d’entités azotées NO2/N2O4 piégées dans le verre. Par la suite, une étude des propriétés physico-chimiques des surfaces polarisées a été conduite. Les résultats préliminaires obtenus concernent l'influence de la charge d'espace sur (i) la mouillabilité, (ii) la chimie de surface et (iii) les réponses optiques de molécules adsorbées
The purpose of this work is to control physicochemical properties of glasses surfaces using a thermal polarization treatment. For this, the implementation of a space charge layer has been characterized for various silicates and borosilicates glasses. These comparative studies have shown that cations depletion from anode toward cathode induces both an electric field and structural local changes. To go further, we demonstrated that there is a plasma formation between anode and glass surfaces which could be the cause of ionic exchange phenomena leading to the formation of nitrogen NO2/N2O4 entities entrapped inside glass network. Subsequently, physicochemical properties studies of polarized surfaces were performed. Preliminary results concerning the space charge influence on (i) surface wettability, (ii) surface chemistry and (iii) optical responses of adsorbed molecules on poled glass surface have been obtained

Les machines électriques à aimants, appréciées pour leurs densités énergétiques volumique et massique, équipent la majorité des véhicules électrifiés. Par contre, dans la zone à puissance constante d’un système de propulsion, les commander à pertes maîtrisées, cela en démagnétisant les aimants mais de façon réversible, reste une gageure, particulièrement sous environnement thermique changeant. Les solutions simples pour se prémunir d’une démagnétisation irréversible sont coûteuses: surdimensionner ou ajouter une terre très très rare (Dysprosium).Cette thèse propose d’ajouter à l’approche de la démagnétisation réversible universellement utilisée, celle d’une boite de vitesse électromagnétique. Pour cela on conçoit une machine pentaphasée à aimants.Passer de trois à cinq phases permet alors d’augmenter les paramètres de réglage de l’alimentation électrique et, moyennant approximation, de disposer de deux machines fictives à p et 3p paires de pôles, chacune pouvant contribuer de façon équivalente à la production du couple. Pratiquement, l’utilisation optimale de ces deux machines permet de reconstituer la fonction de boite de vitesse
Permanent Magnet electrical machines , appreciated for their high power density, equip the majority of the electrified vehicles. However, controlling these machines, in the constant power range of the propulsion system while mastering the losses, with PM reversible demagnetization remains a challenge especially under varying thermal environnement. Proposed solutions aim for protecting PM from irreversible demagnetization are costly: oversizing or using very rare earth PM (Dysprosium).In this thesis, we proposed to add on the reversible demagnetization approach universally used , that of a electromagnetic gearbox. Thus, we design a five phase PM machine.Increasing the phase number from three to five, increases the adjustment parameter of the electrical supply, and allows to have two fictitious machines with p and 3 p poles. Each fictitious machine contributes equivalently in producing torque. Practically, the optimal use of these two machines leads to reconstructing the gearbox function

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
This study objective was to analyze the space distribution of components of the reference evapotranspiration (ETo) in Brazil and afterwards the weather variability by applying the technique of harmonic analysis, given for this was initially an analysis of variance, phase and amplitude for the present time (1980-2000), subsequently made a projection of future time (2080-2100), based on scenario A2 of intergovernmental panel to Climatic changes. The equation used was Penman-Monteith sampled by Food and Agriculture and Organization of the United Nations (FAO) 1998. The simulations were conducted with the clime regional model (MM5), attached to a model of potential vegetation (MVP). The results show that under the actual conditions the model presented good performance of the annual cycle when compared to the ERA-40 and CRU data. The aero dynamical and radioactive terms presented an annual cycle that is dominant in the Amazonian and Brazil's south regions, while in the southeast region the semester cycle has a higher notability. The biggest variations at ETo amplitude were identified in northeastern semiarid and in the Brazil's extreme south. The changes in ETo due to the global warmness were maximum at the Brazil's central region and in the Amazonian region. In future conditions, the annual cycle showed itself dominant in Brazil's greatest part, presenting dry and rainy well defined weathers. Still was observed that under global warmness conditions the variations of aerodynamic term become more important than the variations of the irradiative terms to the total ETo.
O objetivo do presente estudo foi analisar a distribuição espacial dos componentes da evapotranspiração de referência (ETo) no Brasil e posteriormente a variabilidade temporal por meio da técnica da análise harmônica, sendo para isso foi feito inicialmente uma análise de variância, fase e amplitude para o tempo presente (1980-2000) e, posteriormente, feita uma projeção com o tempo futuro (2080-2100), com base no cenário A2 do Painel Intergovernamental para as Mudanças Climáticas. A equação utilizada foi a de Penman-Monteith padronizada pela Food and Agriculture and Organization of the United Nations (FAO) 1998. As simulações foram conduzidas com o modelo regional de clima (MM5), acoplado a um modelo de vegetação potencial (MVP). Os resultados mostram que sob condições atuais o modelo apresentou bom desempenho do ciclo anual quando comparado aos dados do ERA-40 e CRU. Os termos aerodinâmico e radiativo apresentaram um ciclo anual que é dominante na região Amazônica e sul do Brasil, enquanto na região sudeste o ciclo semestral tem maior destaque. As maiores variações na amplitude da ETo foram identificadas no semi-árido nordestino e no extremo sul do Brasil. As mudanças na ETo devido ao aquecimento global foram máximas na região central do Brasil e Amazônica. Em condições futuras, o ciclo anual apresentou-se dominante na maior parte do Brasil, indicando estações secas e chuvosas de forma bem definida. Ainda foi observado que sob condições de aquecimento global as variações do termo aerodinâmico tornam-se mais importantes que as variações do termo radiativo para a ETo total.

Nas duas últimas décadas, houve um enorme aumento no número de estruturas proteicas resolvidas, e entre elas há uma variedade imensa de proteínas com mais de uma conformação observada. Essa quantidade incontestável de dados experimentais corroboram a hipótese de que cada proteína exista num espaço conformacional próprio, onde ela possa adotar inúmeras conformações, umas mais distintas ou estáveis que outras. Essas conformações estão distribuídas nesse espaço de acordo com sua energia potencial, que pode ser definida como uma superfície cheia de rugosidades, poços e barreiras energéticas. Duas conformações distantes nesse espaço são muito diferentes entre si, enquanto que duas conformações próximas são mais semelhantes. Da mesma forma, se distinguem os movimentos necessários para passar de uma conformação à outra. Para uma proteína passar de um estado a outro, geralmente identificados com grandes mudanças conformacionais, é necessário um movimento coletivo. Por ser de grande amplitude, esse tipo de movimento ocorre com baixa frequência, e dificilmente é observado em simulações clássicas de dinâmica molecular. Assim, existem métodos dedicados à obtenção destes movimentos, como a análise de modos normais, os modelos de redes elásticas e a análise de componentes principais. Neste trabalho, adaptamos o método de transformada de Fourier para recuperar modos harmônicos que compõem uma trajetória simulada suficientemente longa para analisar três proteínas distintas quanto a seus movimentos biológicos de importância funcional. Uma é a DEA, cuja simetria hexagonal observamos influenciar nos modos coletivos e na transição entre estados. Outra é a MosR, que simulamos em seus dois estados diferentes, oxidado ou reduzido, para encontrar como a oxidação é capaz de impedir os movimentos coletivos que levam à conformação ligada ao DNA. Nestas duas proteínas, observamos que nenhum modo por si só é responsável pela transição entre as conformações experimentais, mas que eles dependem de outros modos ou outras mudanças conformacionais ocorrendo de forma combinada. A terceira proteína analisada é um regulador transcricional, assim como a MosR, a ElrR, cuja estrutura é conhecida somente na forma apo. Neste trabalho, construímos modelos da ElrR ligada ao DNA pela combinação linear de modos harmônicos para modelar um possível ligante na nova conformação do sítio alostérico. As amplitudes usadas nessa combinação foram obtidas pelo método de mínimos quadrados, visando minimizar o desvio em relação somente às coordenadas que as hélices de reconhecimento devem apresentar para se ligar ao sítio de DNA. Este prognóstico foi feito pela análise metódica das estruturas de 27 reguladores transcricionais, homodiméricos com o motivo HTH, em complexo com DNA. Essa análise também nos permitiu descrever a estereoquímica do encaixe das hélices de reconhecimento nos sulcos maiores do DNA com novos parâmetros geométricos, intimamente relacionados com a simetria do complexo, com a sequência de resíduos das hélices de reconhecimento e com a sequência de bases do sítio de DNA, de forma a auxiliar na modelagem de novos complexos.
There was an enormous increase in the deposited protein structures in the past two decades, among them there is a great variety of proteins with more than one observed conformation. This undenieble amount of experimental data ratify the hypothesis that each protein posseses its own conformational space, where it can adopt countless conformations, some more distinct or stable than others. These conformations are distributed in the space according to its potential energy, which maybe defined as a rough landscape fulled with energetic wells and barriers. Two conformations lying apart from each other in this landscape do not carry much resemblances, while neighbouring conformations are very similar. The motions required to get one conformation to another are just as distinguishable. There must be a collective motion inbetween two states of a protein, commonly characterized by large conformation changes. This type of motion is related to large amplitudes and low frequencies, thus it is hardly seen in classical molecular dynamics simulations. Therefore, there are dedicated methods to obtain these motions, as normal modes analysis, elastic network models and essential dynamics. In this work we adapted the method of Fourier transform filtering to retrieve harmonic modes that compose a simulated trajectory and thus analise the biological motions with functional importance of three distinct proteins. One is DEA, which hexagonal symmetry was observed to affect its collective motions and the transition between biological states. Another protein is MosR, which we simulated in two different states, oxidized or reduced, to learn how the formation of a disulphide bridge is able to preclude the collective motions that lead to a DNA-binding conformation. With these two proteins we observed that no mode by itself is responsible for the transition between experimental conformations, and they actually depend on other conformational changes occurring in a combined manner. The third protein that we analised, ElrR, is a transcriptional regulator, like MosR, which structure is known only on its apo form. Hence in this work we built models of ElrR bound to DNA by the linear combination of harmonic modes aiming to model a ligand that would fit in the allosteric site upon the conformational changes driven by the collective motions. The amplitudes we used in this method were calculated by the least square method to minimize the deviation to the positions of the recognition helices when bound to the DNA. This prognostic of the target position of the recognition helices was made upon the methodical analysis of 27 structures of homodimeric transcriptional regulators, that present the Helix-Turn-Helix motif, complexed with DNA. This approach allowed us to describe the stereochemical fitting of the recognition helices into the DNA major grooves with new geometrical parameters intimatelly related to the symmetry of the complex, the residue sequence of the recognition helices and the base sequence of the DNA site, providing thus support to model new complexes.

Ce travail contribue à l’évaluation de la technique de génération de seconde harmonique induite par un champ électrique quasi statique, ou technique EFISHG, appliquée au domaine de la microélectronique. Une description du principe de la technique EFISHG, basé sur l’optique non linéaire, permet d’appréhender l’origine physique de cette méthode. Un état de l’art a permis d’identifier deux champs d’applications liés à la microélectronique : l’analyse de défaillance, via la mesure en temps de réelle des variations de champs électriques internes dans les circuits intégrés, et la fiabilité par l’étude du piégeage de charges à l’interface Si/SiO2 et de la dégradation dite de « Negative Bias Temperature Instability » ou NBTI. Ce manuscrit présente les différentes étapes qui ont permis l’élaboration d’un banc de test en vue de l’évaluation de l’applicabilité de la technique EFISHG à ces problématiques. Les résultats expérimentaux obtenus avec ce montage ont permis de mettre en avant les possibilités qu’offre la technique EFISHG à caractériser et à accélérer le vieillissement NBTI
This work concerns the elaboration of an industrial method for Single Event Effect (SEE) sensitivity testing on integrated circuits. The concerned SEEs are those produced by heavy ions and are mainly Single Event Upset (SEU) and Single Event Latchup (SEL). The original test approach chosen in this study relies on the use of infrared laser pulses striking the backside of the tested device. Laser pulse and heavy ion interaction with semiconductor materials are described and a presentation of the particle accelerator test and some former laser test methods is also given. Advantages and drawbacks of those two techniques are discussed. The developed experimental setup uses a near infrared fiber coupled Neodyme/YAG pulsed laser. Its different elements are described. Using this tool to characterise the SEU sensitivity of several modern SRAMs has allowed to define a test methodology. Its efficiency is discussed and illustrated by different experimental results

Nous avons déterminé l'hyper polarisabilité de premier ordre, de nouvelles molécules organiques : des molécules organométalliques chirales, des systèmes photochromes et des molécules a transfert de charge bidimensionnel (molécules en). Nous avons tout d'abord réalisé le montage de génération de second harmonique induite par un champ électrique (efishg) afin de mesurer en solution la projection sur le moment dipolaire permanent de l'hyper polarisabilité vectorielle a 1,064 m et a 1,907 m. L'analyse de l'amplitude et de la valeur moyenne du signal de second harmonique permet de tenir compte de l'absorption du second harmonique généré lorsque celle-ci n'est pas négligeable. Ces résultats expérimentaux ont été compares a ceux obtenus par des calculs semi-empiriques, bases sur la méthode <<<>am1<>>>, combines a la méthode <<<>champ fini<>>>. Après optimisation de la géométrie, nous avons déterminé les différents termes du tenseur d'hyper polarisabilité à fréquence nulle des molécules dans le vide. Nous nous sommes intéressés a des dérivés du ferrocène possédant une forte hyper polarisabilité. Différentes substitutions ont permis de rendre ces composes chiraux tout en conservant leurs propriétés moléculaires non-linéaires. En raison de la chiralité, la maille cristalline de ces molécules ne possède donc pas de centre d'inversion. Nous avons ensuite étudié des composes de deux familles de photochromes, les fulgides et les diaryléthènes. L'absence de retour thermique de la forme colorée vers la forme de départ et la bonne résistance à la photo dégradation rendent ces molécules intéressantes pour le stockage de l'information. Nous avons recherche des isomères photochimiques ayant des hyper polarisabilités moléculaires différentes et un taux de conversion photo induit réversible important. Les molécules en l possèdent deux axes de transfert de charge. Le terme prépondérant dans le tenseur d'hyper polarisabilité n'est pas le terme diagonal. En modélisant les molécules en l par deux ressorts non-linéaires couples, nous avons obtenu des relations entre les différents termes de ce tenseur et démontre le couplage entre les deux ressorts. Nous avons également mis en évidence que la structure moléculaire en favorise un assemblage cristallin sans centre d'inversion.

Private deck of cards created during six-month survey and documentation of daily experiences. The package contains 49 cards and it is inspired by a set of 78 tarot cards. Text content - reverse side of the card was created using diary notes. Face side of the card was chosen as a representation of processes taking place usually in days when the card was read.

Les applications de l’électronique de puissance contribuent à la pollution harmonique des réseaux électriques. Pour estimer le niveau de distorsion de tension, les différents composants du réseau doivent être modélisés en régime harmonique, en particulier les charges consommatrices, industrielles, commerciales et domestiques. L’étude concerne la modélisation de l’impédance harmonique des charges qui peuvent être séparées en deux grandes catégories: les charges passives et les charges dites actives qui réalisent une conversion d’énergie électromécanique. Les modèles disponibles pour les charges élémentaires sont récapitules en termes de complexité et de précision. Puis une méthode d’agrégation est développée, permettant d'obtenir un circuit équivalent d'ordre minimal et de structure compatible avec celle du réseau. La méthode d'identification des paramètres de ce circuit est basée sur une représentation fréquentielle de l’impédance harmonique, afin d'obtenir une réponse qui coïncide avec celle du réseau réel. Ce modèle agrège est utilise pour étudier la sensibilité de l’impédance harmonique aux variations aléatoires des paramètres caractéristiques du réseau et des charges.

Partie 1 : Etude sismotectonique du Péloponnèse. Durant l'été 1986 nous avons installé un réseau sismologique de 46 stations couvrant l'ensemble du Péloponèse. Sur plus de 1000 séismes, 750 sont localisés à 10 km près et 480 le sont à 5 km près, 100 solutions focales ont été déterminées. La sismicité enregistrée est essentiellement crustale (95%). La croûte inférieure apparait comme une zone sismique à l'ouest et devient sismique à l'est. Les mécanismes au foyer indiquent un champ de contrainte compressiif orienté E-W dans la bordure occidentale. Immédiatement à l'est de cette zone, le régime devient extensif, d'orientation N-S au nord puis NW-SE à E-W dans !e sud et le sud-.ouest du Péloponnèse. La, sismicité intermédiaire définit la géométrie de ia subduction de la plaque Afrique sous le Péloponnèse. Le plongement est orienté NE-SW scion un pendage de 10°, à 200 km des fosses ce pendage s'accentue brusquement (45 ° ). Les mécanismes au foyer montrent une tectonique extensive orientée NE-SW, avec un pendage identique à celui de la plaque plongeante. 2* partie: Réponse sismique d'une vallée sédimentaire. Durant deux semaines , en mai 1985, cinq stations sismologiques ont été installées à travers une vallée située à 50 km de Thessalonique ( Grèce) . Les stations étaient placées sur les sédiments et sur les bords rocheux de la vallée. A partir de séismes locaux et régionaux, nous avons calculé les rapports des spectres de Fourier obtenus aux différents sites. Pour les sites sédimentaires, les rapports montrent des .amplifications maximales de 8, pour un site rocheux elles atteignent 6. Les amplifications observées sont maximales lors de séismes locaux.Nous interprétons ces effets en fonction du contexte géologique local.

碩士
東吳大學
日本語文學系
105
Shiga Naoya published “Reconciliation” after his ceasing to write which was lasted three years from 1914 to 1917. It is considered as his masterpiece and describes the process of quarrel to reconciliation between Junichi who is the narrator and lead character and his father. The “harmonic mood” played an important role in the story, however It is difficult to know what kind of feeling is that through reading the story. In this study, the author analyzed lead characters’ three factors; “ego”, “others” and attitude to “life and death” in works before and after ceasing to write, found out the formation process of “harmonic mood” in the accomplishing reconciliation caused by these factors’ Harmony. In chapter2, from three crime novels in the previous period; “The Razor”, “Han's Crime” and “The Diary of Claudius,” gave through thought to change in “ego” and “others” by lead characters’ personality, their persistence of “ego” and interactions with “others.” In chapter3, by considering about a change in lead characters’ “ego” and “others” in two autobiographical works; “Otsu Junkichi” in the previous term and “Reconciliation” in the middle term, analyzed lead characters “ego” by domestic position and religious belief, clarified the relationship with “others.” In chapter4, through comparing between murderous intentions which were seen in crime novels in the previous term and attitude of “life and death” in “At Cape Kinosaki” in middle term, a change in attitude of “life and death” and what kind of role attitude of “life and death” played in "Reconciliation" were revealed. By these analyses, it is found out that lead characters’ disaccord “ego” which mind discord with action transmute into the persistence of “ego” as the unity in mind and action. While at the same time, lead characters’ attitude of “life and death” also changed by awareness of impermanence in life, therefore their former relationship with “others” which lacked communication changed into interaction which they try to communicate and express their feelings in. Because of persistence of “ego” as the unity mind and action, communication with “others” encouraged by change in attitude of “life and death”, the lead character succeeded in making up a quarrel with his father.

碩士
華梵大學
東方人文思想研究所
97
Zhouyi(The book of change) contains much profound philosophy. The abstruse reasoning through symbols and numbers, rich with the rationales of ancient society, exhibit traditional philosophies of Chinese values, world outlook, and expectations of life. This propagation of ‘Unity between Men and the Heavenly Bodies’ establishes the basis for a modeled perspective of the universe based on natural philosophies; which, in combining natural and social values, fuses the intimate relationship of Heaven, Earth, and Men. The purpose for the composition of this dissertation is to study the ways through which our predecessors perceived the Heaven, Earth, Men, Sun, Moon, Stars, Mountains and Rivers to find a harmonious coexistence. Furthermore, how they developed, through understanding and acceptance of the universe and natural occurrences, a model for harmonious interaction between people. And how the Enlightened comprehended the relationships between men-nature, men-society, and men-self (ego, id) from the study of Zhouy(The book of change)i. These are the main objectives for the purpose of this paper. Detailed contents are as followed: (A) The evolution and unique traits of Zhouyi’s(The book of change) Main Text and Commentary The process of evolution between its ‘Main Text’ (Jing) and ‘Commentary’ (Chuan) is central to the development of Zhouyi(The book of change). Starting from the mysterious composition of the original text to generations of accumulated wisdom and philosophy from enlightened predecessors, Zhouyi(The book of change) is considered the most influential scripture to the Chinese culture. (B) Zhouyi(The book of change) and Chinese Divination Divination is a tool exercised in the attempt to comprehend and pry on the will of the Gods at the genesis of civilization. Through processes of hexagram during divination, unfolds the scientific spirit and philosophic reasoning of ancient men. (C) Numeric Symbolism and the concept Piety in Zhouyi(The book of change) Through symbolic interpretations of the sixty-four hexagrams and three hundred and eighty four trigrams, Zhouyi(The book of change) summarizes the permutation of all occurrences in the universe, and reveals wisdom in the way our ancient predecessors conducted themselves. On the other hand, enlightened scholars would often encourage virtues of benevolence and morality through the interpretation of divinatory exhibitions. (D) Oriental Naturalism centered around Zhouyi(The book of change) The natural philosophy revealed through Zhouyi(The book of change) represents a unique oriental outlook at the universe. From discussions of the essence, structure and formation of the celestials, to comprehension of the intimate relationships between heaven and earth, heaven and men, and men’s role between the two bodies, uncover a state of unity and harmonious coexistence endured through the scrutiny of time. (E) Zhouyi(The book of change) Rationales The expression of Zhouyi(The book of change) is through symbols and notations; the intrinsic properties of Zhouyi(The book of change) are of justice and duty. The symbols consist of hexagram symbols and trigram symbols; the notations are, separately, rubrics, hexagram notations, and trigram notations. Justice and duty are the embodiments of interpretations within these symbols and notations, linear to the universal order, and of principal components to the purpose of this study. (F) Time and Space in Zhouyi(The book of change) In the study of Yi, the interpretations of Time and Space in Zhouyi(The book of change) play significant roles. In Zhouyi(The book of change), the study of ‘Time’ emphasizes its shifting nature and ‘vibrant, robust, and infinite’ characteristics, exhibiting a continuous and restless manifestation through observations of celestial bodies upon four indicators of time. As for the concept of ‘Space’ in Zhouyi(The book of change), use of the sixty-four hexagrams and three hundred and eighty four trigrams reflects the opposite relations of ‘Yin and Yang’, ‘Rigid and Flexible’, ‘Placement and Displacement’; which demonstrates the ever-shifting status of all natural occurrences. (G) The practical significance of ‘Balance and Harmony’ in Zhouyi(The book of change) ‘Balance’ is the basis of Dao (the Way), and ‘harmony’ is its application. In another word, ‘harmony’ is a manifestation of ‘balance’, and ‘balance’ is exhibited through ‘harmony’. While ‘balance’ reflects a constant truth to the way of the celestials, ‘harmony’ embodies fluctuations in all matters concerning men, objects, and phenomenon, and the equilibrium achieved through the continual occurrences of negative relationships known as ‘Yin and Yang’. (H) The way of conduct expressed in Zhouyi(The book of change), Confucianism and Taoism The Confucianism expression of political administration takes on Zhouyi’s(The book of change) ‘Moral Rules’ ideology. It is a framework based on the propagation of virtues such as loyalty, piety, integrity, justice, and benevolence between social relationships. Through cultivating moral discipline, and advocating such principles to adjacent people, phenomenon and political matters, moral standards can be established through both intrinsic and extrinsic influences. Political achievements based on moral rules are thus plausible. Taoist ideal focuses humanitarian perspectives and reveals the relationship between man and nature through harmonious expressions. From natural observations, Lao-Tzu (founding philosopher of Taoism) did not place nominal restrictions to the interactions of celestials. Taoism therefore briefly defines the way of natural order with ambiguous representations such as ‘the way’, ‘vastness’, ‘absence’, ‘space’, and ‘negativity’. On the other hand, Zhouyi(The book of change) often illustrates the concept of natural order with ‘Yin and Yang’, ‘Rigid and Flexible’, ‘Heaven and Earth’, ‘Balance’, ‘Centered’ and ‘Harmony’.

The subject of this diploma thesis is the Employer's Strategy for Employing Parents on Parental Leave. The theoretical starting points of the thesis map the area of equal opportunities policy, the concept of family policy and employment policy in the Czech Republic. In addition, the work focuses on the personal and working life of parents on parental leave, describes the development of personal and work satisfaction, the motivation of parents to return to work and the expectation of parents from the employer. The last part of the theoretical framework focuses on employers' strategy, focuses on the social responsibility of organizations in the context of the topic, the motivation of employers to employ parents, their expectations of cooperation, and examples of different approaches to employing parents in the private and public sectors. The aim of the research part of thesis is to identify the causes that prevent parents from taking part in the labor market during parental leave and to educate and broaden their qualifications and to identify opportunities that lead to facilitating access to the labor market for parents on parental leave. The research problem looks at the perspective of parents (women) employed in the private and public sectors. The problem is processed through qualitative research....

碩士
中國醫藥大學
中西醫結合研究所碩士班
96
Wang, W.K. and his group had built up a physical model to simulate circulatory system. Then he developed “Organs resonance” theory, which the frequency spectrum analysis of radial artery can be response to internal conditions. Serial studies demonstrate that the pulse frequency spectrum analysis and resonance theory can support traditional Chinese medicine (TCM ) for basic physiologic theory. As we know, major alternations in maternal anatomy and physiology are required for a successful pregnancy. This study is the first time to read the women’s pulse spectra completely since first trimester to postpartum during their pregnancy. The pulse-reading system used in this study is PDS-2000 produced by Skylark Device & System Co. The measured pulse spectra were calculated through fast Fourier transform program to generate frequency spectra. Eighteen subjects were who are patient of the gynecology department of the Chinese Medicine University Hospital involved in this investigation. We measured the patients’ bilateral radial arteries pulse spectra in different stages of their pregnancy and within one month after delivery to compare the variation during the study period. The statistics results of original data revealed the intensity of primary(C0, as heart system), 1st(C1, as liver system), 2nd(C2, as kidney system) and 3rd(C3, as spleen system) harmonics are increasing significantly before delivery. They also have linear relationship within the time. But the statistics results based on spectra percentage shown that bilateral 1st(C1) and left 10th(C10, as intestinal system) harmonics were increased significantly and 4th(C4, as lung system), 5th(C5, as stomach system), 6th(C6, as gallbladder system), 7th(C7, bladder system) and 9th(C9, san-jiao system) decreased significantly. This study results indicated that pulse harmonic spectra analysis can reflect internal change objectively on harmonics variation during pregnancy. If we can conduct a further study for collecting more comprehensive pulse data, it would be helpful perform pulse diagnosis with computer.

碩士
建國科技大學
電機工程系暨研究所
106
In power distribution system, capacitors are commonly used to provide reactive power compensation, to reduce the power and energy loss, to compensate feeder voltage drop, to enhance power factor and to maintain high quality operation environment. However, as nonlinear loads are widely adopted in the power system, more and more harmonic pollutions which lead bus voltage distortion will be produced. Incorrect selection of capacity and placement of shunt capacitor may further lead to the occurrence of parallel resonance of harmonics. Such harmonic pollutions are amplified and propagated, then the power quality may deteriorate to an unacceptable level. Therefore, it is of great importance to plan correctly the capacity and placement of capacitor in power distribution system. This research presents a new method for the placement of capacitor banks in a harmonic-polluted power distribution system. In this method, while programming the capacitors,the Chance characteristics of sinusoidal/harmonic voltage, currents, and network impedances are taken into account. The objective is to minimize the total system power loss, as the voltage limits and the capacity of capacitor units are within the predetermined confidence level. To obtain the optimal size of capacitor banks, the first step of the proposed procedure is to develop probabilistic parameters by using linear approximation algorithm and then find the candidate capacitor bus by using sensitivity analysis. Next, transform the formulated probabilistic constrained equation into a deterministic nonlinear programming problem, which can be solved by the genetic algorithm-based optimizer. Finally, we examine the proposed procedure through an actual power distribution network to know whether it works or not. Results show that the proposed method yields favorable solutions for the problem of capacitor placement.

Obtaining abundant, clean, sustainable energy has become an increasingly large need globally. To date, solar cells have had a limited impact in meeting energy demands. This is primarily due to their relatively high cost and low power conversion efficiencies. Sensitized solar cells, or Grätzel cells, have the potential for being made with low cost materials, and achieving power conversion efficiency high enough to economically compete with fossil fuels. Understanding the dynamics of charge carriers as they separate at the interface of the light absorbing donor and their semiconducting acceptor becomes an important first step in the realization of an inexpensive and efficient sensitized solar cell. Presented is the theory of treating electrons at donor-acceptor interfaces, and why time-resolved surface second harmonic generation (TR-SHG) is used to probe the dynamics of charge carriers at these interfaces. A series of experiments are described where various preparations of thin films of sensitizers on single crystal titanium dioxide, a common acceptor in Grätzel cells, are prepared and studied. TR-SHG studies of thin films of colloidal PbSe and CdSe QDs showed remarkably different electron cooling and transfer dynamics. The electron cooling in PbSe is thermally activated in PbSe QDs. By cooling samples, electron transfer from higher excited “hot” states was observed. Contrary, for CdSe QDs electron transfer rates were dependent on the energy of the excited state. When higher states were excited, charge transfer rates decreased, indicating that only low energy, electrically “cold”, states participate in charge transfer. When carbon based grapheme QDs are used, the electron dynamics mimic PbSe QDs. In this system, increasing the pump energy leads to slower recombination rates, indicating that electrons have to drift further back to the interface.
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碩士
國立中正大學
政治學研究所
103
This thesis Research on Sino-US Relations, Under The Idea of Change From Hu Jintao Harmonic World View to Xi Jinping China. First,this thesis analyzes China's major diplomatic intentions and practice during the Harmonic World View,and this find that Harmonic World View is Realism for the body, the liberalism for use.represent the pursuit of power performance in key military, economic and trade issues, seek energy security, Beijing construction of cognition, as well as increase the geostrategic advantage. When up to the Xi Jinping ,China's major diplomatic becomes more aggress.Therefore,no matter how change in diplomatic of China,they always pursue the power and obtain good space for development. Moreover,in the process of purse of power,China hope they can get abreast of USA,even construct the new global international order which they can control.

The thesis entitled "Phase Behaviour in Crystalline Solids: Exploring the Structure Guiding Factors via Polymorphism, Phase Transitions and Charge Density Studies" consists of five chapters divided into two parts. A basic introductory section describes the topics relevant to the work and the methods and techniques utilized. Part A contains two chapters that discuss the structural aspects related to polymorphism, solvatomorphism, conformational preferences and phase transitions exhibited by active pharmaceutical ingredients (APIs). It also discusses the structure-property correlations in API crystal forms and the possible utility of second harmonic generation (SHG) for their bulk characterization. Part B has three chapters that discuss experimental and theoretical charge density analyses of intra-and intermolecular interactions that play structure guiding roles in some of the APIs discussed in Part A. The main focus of the present work is to characterize the interaction patterns devoid of strong classical hydrogen bonds. The case studies include multifurcated C - H …O hydrogen bonds, the “carbon bonding” and chalcogen interactions involving Se and S atoms. In addition to charge density studies, in situcryocrystallography and molecular complexation experiments have been employed to examine structural consequences of chalcogen bonding. Further, Appendices 1 and 2 describe phase transition studies on the inorganic mineral kröhnkite and its high temperature phase transitions leading to novel inorganic structural types. Part A: Polymorphism and phase behaviour in Active Pharmaceutical Ingredients (APIs) Chapter 1 discusses case studies of polymorphism, supramolecular preference sand phase transitions exhibited by active pharmaceutical ingredients (APIs). Section 1.1 deals with the polymorphism of an anti-oxidant drug candidate ebselen and its hydroxyl derivative. The potential of organoselenium compounds to form a Se…O chalcogen bonded supramolecular recognition unit (synthon) has been established in these polymorphs and its generality is substantiated with the help of a Cambridge Structural Database (CSD) analysis. Section 1.2 demonstrates the utility of the ‘chalcogen bonded supramolecularsynthon’ in generating molecular complexes of APIs. A series of salts and co-crystals of the amyotrophic lateral sclerosis drug Riluzole have been synthesized in order to evaluate the structure directing role of S…O chalcogen bonded synthon in their crystal structures. Section 1.3adescribes the generation of polymorphs and solvatomorphs of the antidepressant drug candidate fenobamand associated phase transitions. The tautomeric preference in this molecule has been rationalized from the crystal structure analysis and abinitioenergy calculations. Further, section 1.3b utilizes chemical derivatization as a means to experimentally simulate thetautomeric preference and molecular conformations in several derivatives of fenobam and thiofenobam. Section 1.4 describes the issue of solvatomorphism and the generation of the fifth solvatomorph of gallic acid, its structural complexity and temperature induced phase transitions. The ability of solvent water molecules to drive structural diversity, by forming ‘hydration synthons’,is demonstrated in this case. Chapter 2 presents a novel methodology for the detection of polymorphic impurities in APIs based on second harmonic generation (SHG).The SHG based method has been employed to polymorphic mixtures of fenobam, hydrochlorothiazide, pyrazinamide, tolbutamide, curcumin, febuxostat and nimesulide.The conventional methods such as powder X-ray diffraction (profile fitting analysis), FT-IR, Raman spectroscopy and thermal analysesto detect the presence of polymorphic impuritiesin bulk API samples are employed on the mixtures of these API samples and the impurity detection limits are compared with the proposed SHG methodology. The APIs used in these case studies were screened for their SHG efficiency using quantum chemical calculations of hyperpolarizability and HOMO-LUMO charge redistribution behaviour. Further, a correlation with the crystal symmetry, relative packing arrangement of molecules and the observed SHG efficiency have been discussed in of some of these cases. Part B: Exploring the nature and structural consequences of nonbonding interactions in molecular crystals Chapter 3 discusses the electron density features of quasi-trifurcated CH…Cl/CH…O interaction motifs leading to ‘carbon bonding’ and a trifurcated CH…O hydrogen bond motif. Section 3.1 describes the experimental and theoretical charge density analyses of quasi-trifurcated CH…Cl and CH…O motifsand investigates the existence of “carbon bonding” in solid state. The experimental charge density evidence for “carbon bonding” have been analyzed in cases of fenobam and dimethylamine: 4-hydroxybenzoic acid complex. The existence of this unconventional interaction, which roughly mimics the transition state geometry of SN2 (bimolecular nucleophilic substitution) reaction, is further established by a CSD analysis. Section 3.2 describes the experimental and theoretical charge density analyses of ferulic acid and compares the topological features associated with a trifurcated CH…O hydrogen bond motif, with corresponding strong classical OH…O hydrogen bonds. The study demonstrates the “Gulliver effect” of weak interactions in charge density terms. Charge density based interaction energy calculations via EPMM and EML methods have been utilized in this context to evaluate the relative strength of such interactions. Chapter 4 discusses the charge density features of intermolecular chalcogen bonding interactions involving selenium and sulphur atoms.Section 4.1 describes the experimental and theoretical charge density analyses of ebselen and its hydroxyl derivative. The charge density characterization of the conserved chalcogen bond synthon (discussed in chapter 1, section 1.1) has been carried out and electronic nature and geometric dependence of Se…O interactions have been explored. The mechanism of drug action of ebselen has been correlated with the experimentally observed charge density distribution around the intramolecular SeC and SeN bonds. Section 4.2 explores the homochalcogen interactions such as S…SandSe…Se in phenol analogues. In situ cryocrystallographic studies on thiophenol, selenophenol and their solid solutions are described. Veggard’s law-like behaviour observed in these solid solutions have been rationalized and the S…S and Se…Sehomochalcogen interactions have been evaluated in these liquid systems which are devoid of any other packing forces such as strong hydrogen bonds. Chapter 5 discusses the conformation locking potential of intramolecular S…O chalcogen bonding in sulfadrugs. Section 5.1 discusses conformation locking in the antibioticdrugsulfamethizole. A two pronged approach has been adopted in the study; a) generation of cocrystals and salts of sulfamethizole for the ‘experimental simulation’ of the molecular conformation, b) evaluation of charge density distribution around the intramolecular S…O interaction region in sulfamethizole. Section 5.2 describes the effect of ‘simple hybridized orbital geometry’ in the formation of intramolecular S…O chalcogen bonding. The experimental charge density analysis of the carbonic anhydrase inhibitor drug acetazolamide has been carried out and the two different intramolecular S…O geometries have been compared in terms of the charge density topology. The analysis highlights the advantage of “orbital geometry” consideration over the conventional distance-angle criteria in assessing nonbonded interactions.