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Dissertations / Theses on the topic 'Computer assisted structure elucidation'

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1

Han, Yongquan. "Evolutionary algorithm as an approach for computer assisted structure elucidation of organic and bioorganic compounds /." Jena, 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=979511941.

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2

Lundborg, Magnus. "Computer-Assisted Carbohydrate Structural Studies and Drug Discovery." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-56411.

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Carbohydrates are abundant in nature and have functions ranging from energy storage to acting as structural components. Analysis of carbohydrate structures is important and can be used for, for instance, clinical diagnosis of diseases as well as in bacterial studies. The complexity of glycans makes it difficult to determine their structures. NMR spectroscopy is an advanced method that can be used to examine carbohydrates at the atomic level, but full assignments of the signals require much work. Reliable automation of this process would be of great help. Herein studies of Escherichia coli O-an
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3

Ståhle, Jonas. "Structure Elucidations of Bacterial Polysaccharides using NMR Spectroscopy and Bioinformatics." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-146867.

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Carbohydrates are ubiquitous components in nature involved in a range of tasks. They cover every cell and contribute both structural stability as well as identity. Lipopolysaccharides are the outermost exposed part of the bacterial cell wall and the primary target for host-pathogen recognition. Understanding the structure and biosynthesis of these polysaccharides is crucial to combat disease and develop new medicine. Structural determinations can be carried out using NMR spectroscopy, a powerful tool giving information on an atomistic scale. This thesis is focused on method development to stud
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4

Plainchont, Bertrand. "Analyse structurale automatique des petites molécules organiques." Thesis, Reims, 2012. http://www.theses.fr/2012REIMS036/document.

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Ce mémoire traite du développement d'outils informatiques d'aide à l'analyse structurale des petites molécules organiques par Résonance Magnétique Nucléaire (RMN). Il comprend deux volets axés sur l'automatisation de tâches auxquelles les chimistes des laboratoires de synthèse organique ou d'isolement de substances naturelles sont confrontés au quotidien, à savoir l'élucidation et la vérification de structure. Le premier volet concerne des améliorations apportées au logiciel de génération de structure LSD (Logic for Structure Determination). Ce logiciel est basé sur l'interprétation des corrél
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5

Bellows, B. P. "Group size, group structure and student interaction in children's computer learning." Diss., Virginia Polytechnic Institute and State University, 1986. http://hdl.handle.net/10919/49981.

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The achievement of students who participated in a computer-assisted instruction unit on social studies directionality skills was examined in relation to group size. Also analyzed were students’ interaction in small groups and the structure of those groups. Sixty-six second-grade students in solo, pair, or triad treatment conditions were given a pretest and equivalent-form posttest. The computer task concerned cardinal and intermediate directions, which students applied in a computer tictactoe game. Interaction among the students was recorded by audiotape and observer notes. The coding protoc
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6

Santos, Marcio Peixoto de Sequeira. "The use of models of system structure for computer assisted analysis of transport policy." Thesis, Imperial College London, 1988. http://hdl.handle.net/10044/1/47244.

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7

Liang, Lanfang. "Investigation of Secondary Metabolites of North Sea Bacteria: Fermentation, Isolation, Structure Elucidation and Bioactivity." Doctoral thesis, [S.l. : s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=96850728X.

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8

Svensson, Niclas. "Structure from Motion with Unstructured RGBD Data." Thesis, KTH, Skolan för elektroteknik och datavetenskap (EECS), 2021. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-302553.

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This thesis covers the topic of depth- assisted Structure from Motion (SfM). When performing classic SfM, the goal is to reconstruct a 3D scene using only a set of unstructured RGB images. What is attempted to be achieved in this thesis is adding the depth dimension to the problem formulation, and consequently create a system that can receive a set of RGBD images. The problem has been addressed by modifying an already existing SfM pipeline and in particular, its Bundle Adjustment (BA) process. Comparisons between the modified framework and the baseline framework resulted in conclusions regardi
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9

Stander, Alison Gretchen. "An investigation into the validity of mobile technologies as a support structure for first year students studying German as a foreign language in a South African context." Thesis, Stellenbosch : University of Stellenbosch, 2011. http://hdl.handle.net/10019.1/6543.

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Thesis (MPhil (Modern Foreign Languages. Hypermedia for Language Learning))--University of Stellenbosch, 2011<br>ENGLISH ABSTRACT: The high penetration rate of mobile devices all over the world, and especially in South Africa, has significantly increased the relevance of Mobile Assisted Language Learning (MALL). The objective of this study is to ascertain the viability of incorporating MALL technology to enhance the language learning experience of South African university students who are studying a foreign language. The students enrolled for the beginners’ German course at Stellenbosch
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10

Schuhmann, Imelda. "Aufbau einer HPLC-UV-ESI-MS-MS-Datenbank und ihre Anwendung im Screening arktischer und antarktischer Meeresbakterien." Doctoral thesis, [S.l.] : [s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=977037568.

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11

Perez, Laura Haide. "Génération automatique de phrases pour l'apprentissage des langues." Thesis, Université de Lorraine, 2013. http://www.theses.fr/2013LORR0062/document.

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Dans ces travaux, nous explorons comment les techniques de Générations Automatiques de Langue Naturelle (GLN) peuvent être utilisées pour aborder la tâche de génération (semi-)automatique de matériel et d'activités dans le contexte de l'apprentissage de langues assisté par ordinateur. En particulier, nous montrons comment un Réalisateur de Surface (RS) basé sur une grammaire peut être exploité pour la création automatique d'exercices de grammaire. Notre réalisateur de surface utilise une grammaire réversible étendue, à savoir SemTAG, qui est une Grammaire d'Arbre Adjoints à Structure de Traits
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12

Durán, Alcaide Ángel. "Development of high-performance algorithms for a new generation of versatile molecular descriptors. The Pentacle software." Doctoral thesis, Universitat Pompeu Fabra, 2010. http://hdl.handle.net/10803/7201.

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The work of this thesis was focused on the development of high-performance algorithms for a new generation of molecular descriptors, with many advantages with respect to its predecessors, suitable for diverse applications in the field of drug design, as well as its implementation in commercial grade scientific software (Pentacle). As a first step, we developed a new algorithm (AMANDA) for discretizing molecular interaction fields which allows extracting from them the most interesting regions in an efficient way. This algorithm was incorporated into a new generation of alignmentindependent mol
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13

Han, Yongquan [Verfasser]. "Evolutionary algorithm as an approach for computer assisted structure elucidation of organic and bioorganic compounds / von Yongquan Han." 2003. http://d-nb.info/979511941/34.

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14

Zlatopolski, Boris. "Final Elucidation of the Absolute Configuration of Hormaomycin - Total Synthesis of Hormaomycin and Analogs." Doctoral thesis, 2003. http://hdl.handle.net/11858/00-1735-0000-0006-B0AE-2.

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15

Yang, Zhi. "Synthesis, Reactivity, and Structural Elucidation of Aluminum Compounds with Bulky Ligands." Doctoral thesis, 2007. http://hdl.handle.net/11858/00-1735-0000-0006-AC8D-7.

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16

Textor, Adriana. "Struktur und Biosynthese von Spirodionsäure und Kirromycin aus Streptomyces sp." Doctoral thesis, 2008. http://hdl.handle.net/11858/00-1735-0000-0006-ACC5-7.

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17

Wolff, Diana. "Allene, Dihydronaphthalenon-Derivate und andere Sekundärmetabolite aus Pilzen mariner Habitate sowie Beiträge zu deren Biosynthese." Doctoral thesis, 2004. http://hdl.handle.net/11858/00-1735-0000-0006-B0AB-8.

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18

Surup, Frank. "Metagenom-Technologie zur Wirkstoffsuche sowie Untersuchungen der Iromycine aus Streptomyces sp." Doctoral thesis, 2007. http://hdl.handle.net/11858/00-1735-0000-0006-ACA7-B.

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19

Schlörke, Oliver. "Isolierung, Strukturaufklärung und Biosynthese von Sekundärmetaboliten endophytischer Pilze aus Algen und Pflanzen mariner Habitate." Doctoral thesis, 2005. http://hdl.handle.net/11858/00-1735-0000-0006-B0AF-F.

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20

Ströch, Karsten. "Chemisches Screening von ausgewählten Actinomyceten sowie Strukturaufklärung von Sekundärmetaboliten aus Micromonospora sp. und Pflanzen." Doctoral thesis, 2004. http://hdl.handle.net/11858/00-1735-0000-0006-B0A2-9.

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21

Mahmoud, Khaled Attia Shaaban. "Nafisamycin, Cyclisation Product of a New Enediyne Precursor, Highly Cytotoxic Mansouramycins, Karamomycins Possessing a Novel Heterocyclic Skeleton and Further Unusual Secondary Metabolites from Terrestrial and Marine Bacteria." Doctoral thesis, 2009. http://hdl.handle.net/11858/00-1735-0000-0006-ACC1-F.

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22

Meyer, Sven Wolfgang. "Strukturaufklärung der Phenalinolactone und Beiträge zur Biosynthese der Hexacyclinsäure." Doctoral thesis, 2004. http://hdl.handle.net/11858/00-1735-0000-0006-B08C-0.

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23

Fotso, Serge. "Hoch cytotoxisches Kettapetin, Bhimamycine mit ungewöhnlichen Chromophoren und weitere neue Sekundärstoffe aus terrestrischen und marinen Bakterien." Doctoral thesis, 2005. http://hdl.handle.net/11858/00-1735-0000-0006-B0CD-B.

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24

Bitzer, Jens. "Isolierung und Strukturaufklärung neuer Naturstoffe aus Bakterien und endophytischen Pilzen durch chemisches Screening." Doctoral thesis, 2005. http://hdl.handle.net/11858/00-1735-0000-0006-AD48-A.

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25

Schuhmann, Tim. "Untersuchungen zur Biosynthese und Aktivität ausgewählter Plecomakrolide sowie chemisches Screening von Actinomyceten." Doctoral thesis, 2005. http://hdl.handle.net/11858/00-1735-0000-0006-AE9C-8.

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26

Hoffmann, Luise. "Struktur und Biosynthese von Collinolacton aus Streptomyces sp. und Beiträge zum Screening neuer Wirkstoffe." Doctoral thesis, 2006. http://hdl.handle.net/11858/00-1735-0000-0006-AEA6-0.

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27

(8054564), Katherine Elisabeth Wehde. "THE DEVELOPMENT OF MASS SPECTROMETRIC METHODS FOR THE DETERMINATION OF THE CHEMICAL COMPOSITION OF COMPLEX MIXTURES RELEVANT TO THE ENERGY SECTOR AND THE DEVELOPMENT OF A NEW DEVICE FOR CHEMICALLY ENHANCED OIL RECOVERY FORMULATION EVALUATION." Thesis, 2019.

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<p>This dissertation focused on the development of mass spectrometric methodologies, separation techniques, and engineered devices for the optimal analysis of complex mixtures relevant to the energy sector, such as alternative fuels, petroleum-based fuels, crude oils, and processed base oils. Mass spectrometry (MS) has been widely recognized as a powerful tool for the analysis of complex mixtures. In complex energy samples, such as petroleum-based fuels, alternative fuels, and oils, high-resolution MS alone may not be sufficient to elucidate chemical composition information. Separation before
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28

Fotso, Fondja Yao Clarisse Blandine. "Aqabamycins, Rare Nitro Maleimides and other Novel Metabolites from Microorganisms; Generation and Application of an HPLC-UV-ESI MS/MS Database." Doctoral thesis, 2008. http://hdl.handle.net/11858/00-1735-0000-0006-ACC9-0.

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