Search for dissertations about: "conformational analysis"

Showing result 1 - 5 of 145 swedish dissertations containing the words conformational analysis.

2. 1. Assembling and Unraveling Carbohydrates Structures : Conformational analysis of synthesized branched oligosaccharides

   Author : Thibault Angles d'Ortoli; Göran Widmalm; Christian Marcus Pedersen; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Convergent carbohydrate synthesis; Super-armed donors; Glycosylation; Conformational analysis; NMR; Chemical shift prediction; organisk kemi; Organic Chemistry;

   Abstract : Advances in the elaboration of vaccines and enzyme inhibitors rely on acquiring more knowledge about protein-carbohydrate binding events. Furthermore, the relationships between biological function and the three-dimensional properties of large glycans can be studied by focusing on the structural components they contained, namely, by scaling down the system under analysis. READ MORE

4. 2. Structural and Conformational Studies of Oligo- and Polysaccharides

   Author : Mona Zaccheus; Göran Widmalm; Christina De Castro; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NMR spectroscopy; structural analysis; conformational analysis; carbohydrates; polysaccharides; organisk kemi; Organic Chemistry;

   Abstract : The focus of this thesis is to examine the structural properties of polysaccharides produced by bacteria, as well as the dynamic and conformational behavior of a synthetically derived oligosaccharide.The primary structures of the O-polysaccharide repeating units of four different Escherichia coli (E. READ MORE

5. 3. Deciphering Carbohydrate Structure : From NMR Chemical Shifts to Conformational Analysis

   Author : Kevin M. Dorst; Göran Widmalm; Martina Delbianco; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NMR chemical shift prediction; Structural elucidation; Conformational studies; NMR spectroscopy; MD simulations; Organic Chemistry; organisk kemi;

   Abstract : Carbohydrates are ubiquitous in nature and exhibit a multitude of roles. Besides nucleic and amino acids, they can be regarded as the third alphabet of life. They are used as energy source to fuel the cells, as structural building blocks and play a key role in cellular recognition processes. READ MORE

6. 4. Computational Analysis of Carbohydrates : Dynamical Properties and Interactions

   Author : Robert Eklund; Göran Widmalm; Sören B. Engelsen; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Carbohydrate; DFT; ab initio; docking calculations; Molecular dynamics; Langevin Dynaimcs; structure analysis; carbohydrate-protein interaction; Chemical shift calculations; Spin spin coupling constants.; Organic chemistry; Organisk kemi;

   Abstract : In this thesis a computational complement to experimental observables will be presented. Computational tools such as molecular dynamics and quantum chemical tools will be used to aid in the interpretation of experimentally (NMR) obtained structural data. READ MORE

7. 5. Modulation of Molecular Properties : Host–Guest Interactions for Structural Analysis and Chemical Reactions

   Author : Sara Norrehed; Adolf Gogoll; Jerker Mårtensson; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; host-guest systems; conformational analysis; NMR spectroscopy; bispidines; porphyrins; Kemi med inriktning mot organisk kemi; Chemistry with specialization in Organic Chemistry;

   Abstract : This thesis concerns the construction, use and modulation of various host–guest systems, from small bispidines for binding of inorganic ions to bisporphyrin clips for supramolecular systems.Small flexible molecules undergo fast conformational movements when in solution. READ MORE