Dissertations / Theses on the topic 'P-partitions'

Les partitions pour pipa de Dunhuang (fin dynastie Tang, début époque Song), copiées sur les manuscrits P. 3539, P. 3808 et P. 3719 conservés à la BnF ont été découvertes par Paul Pelliot en 1908 dans la grotte numéro 17 du site de Mogao en Chine. Cette thèse décrit les influences musicales et culturelles apportées en Chine par la route la soie, notamment la musique koutchéenne, puis réalise le bilan des études de ces partitions, menées depuis plus de soixante-quinze ans par les plus grands spécialistes dont Hayashi Kenzō, Ren Erbei, Rao Zongyi, Ye Dong, He Changlin, Chen Yingshi, Xi Zhenguan, Rembrandt Wolpert et François Picard. Il est admis qu’il s’agit de partitions en tablature pour un luth pipa à quatre cordes et quatre frettes, tel qu’il existait à l’époque. Les discussions en cours entre les chercheurs sur la tonalité, le rythme et le tempo, l'origine, le genre et l'organisation de ces pièces sont exposés et critiqués. Le logiciel conçu d'après mes spécifications pour faciliter leur étude et produire leur transcription sur portée est décrit. Mes propositions de transcription des vingt-cinq pièces de P. 3808 sont analysées en détail et comparées entre-elles. L'enregistrement de leur interprétation sur pipa de Nanyin, instrument actuel le plus proche des anciens luths, constitue l'aboutissement de ce travail
The Dunhuang pipa scores (end of Tang dynasty, beginning of Song period), copied on the manuscripts P. 3539, P. 3808 and P. 3719, now kept in the BnF, were discovered by Paul Pelliot in 1908 in the Mogao cave number 17 in China. This thesis describes the musical and cultural influences brought to China by the silk road, including Kuchan music, then reviews the studies of these partitions, conducted over seventy-five years by leading experts including Hayashi Kenzō, Ren Erbei, Rao Zongyi, Ye Dong, He Changlin, Chen Yingshi, Xi Zhenguan, Rembrandt Wolpert and François Picard. It is recognized that they are tablature partitions for a pipa lute with four strings and four frets, as it existed at that time. Ongoing discussions between researchers about the tone, rhythm and tempo, origin, gender and organization of these scores are exposed and criticized. The software designed according to my specifications to facilitate their study and produce their transcription is described. My transcription proposals of the twenty-five pieces of P. 3808 are analysed in detail and compared with each other. The recording of their interpretation with a Nanyin's pipa, current instrument closest to the ancient lutes, is the culmination of that work

In 2010 Chung-Graham-Knuth proved an interesting symmetric identity for the Eulerian numbers and asked for a q-analog version. Using the q-Eulerian polynomials introduced by Shareshian-Wachs we find such a q-identity. Moreover, we provide a bijective proof that we further generalize to prove other symmetric qidentities using a combinatorial model due to Foata-Han. Meanwhile, Hyatt has introduced the colored Eulerian quasisymmetric functions to study the joint distribution of the excedance number and major index on colored permutations. Using the Decrease Value Theorem of Foata-Han we give a new proof of his main generating function formula for the colored Eulerian quasisymmetric functions. Furthermore, certain symmetric q-Eulerian identities are generalized and expressed as identities involving the colored Eulerian quasisymmetric functions. Next, generalizing the recent works of Savage-Visontai and Beck-Braun we investigate some q-descent polynomials of general signed multipermutations. The factorial and multivariate generating functions for these q-descent polynomials are obtained and the real rootedness results of some of these polynomials are given. Finally, we study the diagonal generating function of the Jacobi-Stirling numbers of the second kind by generalizing the analogous results for the Stirling and Legendre-Stirling numbers of the second kind. It turns out that the generating function is a rational function, whose numerator is a polynomial with nonnegative integral coefficients. By applying Stanley's theory of P-partitions we find combinatorial interpretations of those coefficients

Experimental data were obtained for the computation of mole fraction solubilities of three dichloronitrobenzenes in organic solvents at 25oC, and solubility ratios were obtained from this data. Abraham model equations were developed for solutes in tributyl phosphate that describe experimental values to within 0.15 log units, and correlations were made to describe solute partitioning in systems that contain either "wet" or "dry" tributyl phosphate. Abraham model correlations have also been developed for solute transfer into anhydrous diisopropyl ether, and these correlations fit in well with those for other ethers. Abraham correlations for the solvation of enthalpy have been derived from experimental and literature data for mesitylene, p-xylene, chlorobenzene, and 1,2-dichlorobenzene at 298.15 K. In addition, the enthalpy contribution of hydrogen bonding between these solutes and acidic solvents were predicted by these correlations and were in agreement with an established method. Residual plots corresponding to Abraham models developed in all of these studies were analyzed for trends in error between experimental and calculated values.

Cette thèse porte sur deux sujets intrinsèquement liés : le calcul de la constante de normalisation d’un champ de Markov et l’estimation de l’affinité de liaison d’un complexe de protéines. Premièrement, afin d’aborder ce problème de comptage #P complet, nous avons développé Z*, basé sur un élagage des quantités de potentiels négligeables. Il s’est montré plus performant que des méthodes de l’état de l’art sur des instances issues d’interaction protéine-protéine. Par la suite, nous avons développé #HBFS, un algorithme avec une garantie anytime, qui s’est révélé plus performant que son prédécesseur. Enfin, nous avons développé BTDZ, un algorithme exact basé sur une décomposition arborescente qui a fait ses preuves sur des instances issues d’interaction intermoléculaire appelées “superhélices”. Ces algorithmes s’appuient sur des méthodes issuse des modèles graphiques : cohérences locales, élimination de variable et décompositions arborescentes. A l’aide de méthodes d’optimisation existantes, de Z* et des fonctions d’énergie de Rosetta, nous avons développé un logiciel open source estimant la constante d’affinité d’un complexe protéine protéine sur une librairie de mutants. Nous avons analysé nos estimations sur un jeu de données de complexes de protéines et nous les avons confronté à deux approches de l’état de l’art. Il en est ressorti que notre outil était qualitativement meilleur que ces méthodes
This thesis is focused on two intrinsically related subjects : the computation of the normalizing constant of a Markov random field and the estimation of the binding affinity of protein-protein interactions. First, to tackle this #P-complete counting problem, we developed Z*, based on the pruning of negligible potential quantities. It has been shown to be more efficient than various state-of-the-art methods on instances derived from protein-protein interaction models. Then, we developed #HBFS, an anytime guaranteed counting algorithm which proved to be even better than its predecessor. Finally, we developed BTDZ, an exact algorithm based on tree decomposition. BTDZ has already proven its efficiency on intances from coiled coil protein interactions. These algorithms all rely on methods stemming from graphical models : local consistencies, variable elimination and tree decomposition. With the help of existing optimization algorithms, Z* and Rosetta energy functions, we developed a package that estimates the binding affinity of a set of mutants in a protein-protein interaction. We statistically analyzed our esti- mation on a database of binding affinities and confronted it with state-of-the-art methods. It appears that our software is qualitatively better than these methods

Etude de petrologie experimentale sur les transformations a hautes pressions et hautes temperatures, de silicates et de germanates a structure olicine et pyroxene. Il a ete determine en fonction de la pression et de la temperature, la distribution du magnesium, du fer et du calcium entre mineraux mantelliques. Un modele thermodynamique coherent est construit et a permis de determiner le champ de stabilite de la perovskite silicatee et de proposer une interpretation de la discontinuite sismique des 670 km. Des mecanismes microscopiques de transformations de phase de l'olivine sont proposes. De quelques composes etudies par spectroscopie raman, a ete tire des parametres thermodynamiques harmoniques et anharmoniques de ces phases

Para um composto químico exercer seu efeito bioativo é necessário que ele atravesse várias barreiras biológicas até alcançar seu sitio de ação. Propriedades farmacocinéticas insatisfatórias (como absorção, distribuição, metabolismo e excreção) são reconhecidamente as principais causas na descontinuidade de pesquisas na busca por novos fármacos. Neste trabalho, modelos biofísicos foram utilizados para o estudo de absorção de uma série de flavonóides naturais com atividade tripanossomicida. O coeficiente cromatográfico de partição, kw, foi determinado através da cromatografia líquida de alta eficiência em fase reversa, RP-HPLC, utilizando-se de colunas cromatográficas empacotadas com constituintes básicos da membrana biológica (fosfatidilcolina e colesterol). Os resultados obtidos demonstraram que nas colunas compostas por fosfatidilcolina a retenção de flavonóides hidroxilados é determinada por interações secundárias, além da partição, e no caso da coluna de colesterol, a partição é o principal mecanismo que rege a retenção. Uma série de descritores físico-químicos foi gerada pelos campos moleculares de interações (MIFs) entre os flavonóides naturais e algumas sondas químicas virtuais, utilizando o programa GRID. Os descritores físico-químicos gerados foram correlacionados com os log kw por análise dos mínimos múltiplos parciais (PLS), utilizando o programa VolSurf, com a finalidade de gerar um modelo quantitativo entre estrutura e propriedade (QSPR) para esta classe de compostos. O modelo produzido por este estudo, ao utilizar os dados de partição em colesterol, log kwCol, apresentou elevada consistência interna, com bom poder de correlação (R2 = 0, 97) e predição (Q2 = 0,86) para a partição destas moléculas
In order to a chemical compound exert its bioactive effect it is necessary that it crosses some biological barriers until reaching its site of action. Unfavorable pharmacokinetics properties (absorption, distribution, metabolism and excretion) are admittedly one of the main causes in the discontinuity of research in the search for new drugs. In this work, biophysics models were used for the study of absorption of a series of natural flavonoids with trypanocide activity. The chromatographic retention indices (log kw) were determined on immobilized artificial membranes columns (IAM.PC.DD, IAM.PC.DD2, Cholesteryl 10-Undecetonoato) obtained by the extrapolation method. The results demonstrated that in the composed columns for fosfatidilcolina the retention of hydroxil flavonoids is determined by secondary interactions, beyond the partition. In the case of the retention for the cholesterol column, the partition is the main mechanism that drives the retention. A series of physico-chemical descriptors were generated by the molecular interaction fields (MIF) between the flavonoids and some virtual chemical probes, using the program GRID. The descriptors were correlated with log kw by the partial least squares regression (PLS), using the VolSurf program, with the purpose to generate a quantitative model between the structure and the retention (QSRR) for this compounds class. The model produced for this study, when using the data of partition in cholesterol, log kwCol, presented high internal consistency, with good correlation power (R2 = 0, 97) and prediction (Q2 = 0,86) for the partition of these molecules

博士
國立臺灣大學
資訊工程學研究所
89
This thesis deals with developing techniques for solving constraint satisfaction problems in #P class. Several enumeration problems in combinatorics such as enumerating Complete Mappings, Perfect Matchings and Permanents are discussed. These problems are difficult to tackle by the traditional mathematical techniques, such as finding a closed formula, a recurrence relation, or a generating function. Exhaustive search is adopted and two novel techniques, the localized partition method, and the free partition method are developed here. They are techniques based on the concept of divide-and-conquer. We then apply the two developed techniques to solve various enumeration problems in combinatorial domain. The question at issue is that given a set of elements which satisfy certain constraints, how many elements are there in the set and what are the elements. It has been shown that the Complete Mapping Problem for a closed structure with left cancellation law and left identity is a #P-complete problem. We also give a lower bound for the number of complete mappings. Finally, we computationally evaluate the number of (and enumerate) complete mappings for the group G, $|G|<24$. We also evaluate the numbers of several variants of complete mappings such as strong complete mappings and regular complete mappings.

A new approach for predicting octanol-water partition coefficients (Log P) of linear perfluorinated compounds, making use of the limited experimental data available, previous observations and the consistent similarities observed between the experimental and calculated (with electronic structure methods and using EPI suite) slopes of the linear plots of Log P values with the number of carbon atoms (N = 2 to 11) is described here. Eight families of linear organic compounds were investigated: carboxylic acids, perfluorinated carboxylic acids, sulfonic acids and perfluorinated sulfonic acids, together with their corresponding conjugate bases. To the best of our knowledge, this work reports the first application of density functional theory methods to the calculation of Log P values of perfluorinated compounds. A second part of the thesis, describes the study of the thermodynamic stability of the PFOA family of 39 structural isomers with the M06-2X, LC-ωPBE, B97D and B3LYP functionals and with the PM6 method. The PM6 results closely resemble the M06-2X results for neutral PFOAs, but greatly disagree regarding anions. The four functionals applied behave similarly from a qualitative point of view, but quantitatively speaking, the LC-ωPBE and B97D results are between the M06-2X and B3LYP stability results. M06-2X ranks highly substituted isomers as more stable than did B3LYP, and ranks less-branched isomers quite low in relative stability compared to B3LYP. Various similarities with a former PFOSs study applying the M06-2X and B3LYP functionals have been identified. The degree of branching within structural isomers cannot always be precisely determined, and is not the only aspect that determines thermodynamic stability; the pattern of substitution seems to also play a significant role.
Graduate

For every positive, decreasing, summable sequence $a=(a_i)$, we can construct a Cantor set $C_a$ associated with $a$. These Cantor sets are not necessarily self-similar. Their dimensional properties and measures have been studied in terms of the sequence $a$. In this thesis, we extend these results to a more general collection of Cantor sets. We study their Hausdorff and packing measures, and compare the size of Cantor sets with the more refined notion of dimension partitions. The properties of these Cantor sets in relation to the collection of cut-out sets are then considered. The multifractal spectrum of $\mathbf{p}$-Cantor measures on these Cantor sets are also computed. We then focus on the special case of homogeneous Cantor sets and obtain a more accurate estimate of their exact measures. Finally, we prove the $L^p$-improving property of the $\mathbf{p}$-Cantor measure on a homogeneous Cantor set as a convolution operator.