Sökning: "conformer"

Visar resultat 1 - 5 av 11 avhandlingar innehållade ordet conformer.

1. 1. Functional and Modular As=C and P=C Group Motifs

   Författare :Daniel Morales Salazar; Andreas Orthaber; Jose Goicoechea; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; materials; physical chemistry; arsaalkenes; phosphaalkenes; DBU; fluorene; photochemistry; arsenic; phosphorus; carbon; hydrogen; sulfur; gold; copper; organic materials; organic electronics; molecular electronics; polymers; transition metal complexes; molecular materials; small molecule; hydrogen bonding; electrochemistry; cyclic voltammetry; chronoamperometry; electropolymerization; artificial intelligence; potentiodynamic; modularity; functionality; XPS; DFT; π-conjugation effects; 2D-NMR; disilenes; siliconoids; group motifs; functional group; emergence; reactivity; reactive systems; organometallic complexes; π-delocalization; low-coordinate; main group chemistry; heavy p-block elements; pnictogens; copper I complex; gold I complex; photosensitizer; XRD; spectroelectrochemistry; electrochromism; smart materials; synthesis; phosphaalkene ligands; imine ligands; hysteresis-like criteria; representative settings; optimal criteria; transient covalence; interactive image; conformer; isomer; ligand scrambling; nanomaterials; stimuli-responsive; optical properties; ligand design; molecular design; X-ray crystallography; emission; self-assembly; As=C; Si=Si; P=C; multiple bond; equilibrium; heteroalkenes; alkenes; reversibility; Raman; ATR-FTIR; ERDA; Kemi; Chemistry;

   Sammanfattning : This work focuses on the design, synthesis, characterization, and application projections of low-coordinated heavy pnictogen-containing (described by the generic letter E, hence E=C) phosphaalkenes (P=C) and arsaalkenes (As=C), with emphasis on the E=C group motifs. The work aims to understand their functional and modular character, reactivity, and potential applications by stabilizing, isolating, and characterizing these species in low-coordination environments. LÄS MER

3. 2. Far-infrared conformer-specific signatures of small aromatic molecules of biological importance

   Författare :Vasyl Yatsyna; Göteborgs universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Our understanding of many biological processes requires knowledge about biomolecular structure and weak intra- and intermolecular interactions (e.g. hydrogen bonding). Both molecular structure and weak interactions can be directly studied by far-infrared (or THz) spectroscopy, which probes low-frequency molecular vibrations. LÄS MER

4. 3. Computational Modelling of Structures and Ligands of CYP2C9

   Författare :Lovisa Afzelius; Collen Masimirembwa; Ismael Zamora; Anders Karlén; Marcel de Groot; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; CYP2C9; 3D QSAR; GRID; CYP450; pharmacophore modelling; homology modelling; metabolism; competitive inhibitors; CPCA; molecular dynamics simulations; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi; Medicinal Chemistry; läkemedelskemi;

   Sammanfattning : CYP2C9 is one of our major drug metabolising enzymes and belongs to the cytochrome P450 (CYP) super family. The aim of this thesis was to gain an understanding of the quantitative structure–activity relationships (QSAR) of CYP2C9 substrates and inhibitors. LÄS MER

5. 4. Muscarinic acetylcholine receptors : investigation of interactions with agonists and antagonists

   Författare :Britta Hedlund; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : In the present investigation interactions of agonists and antagonists with the muscarinic acetylcholine receptor from rat cerebral cortex and rat ileum smooth muscle have been characterized.It is suggested that the binding of antagonist involves two sequential equilibria, an association reaction followed by isomerization of the receptor-antagonist complex. LÄS MER

7. 5. Synthesis and structure activity relationships of competitive NMDA antagonists with analgesic activity

   Författare :Britt-Marie Swahn; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmacy; FARMACI; PHARMACY; FARMACI; Organic Pharmaceutical Chemistry; organisk farmaceutisk kemi;

   Sammanfattning : The compounds cis-3-(1-oxo-2-phosphonoethyl)-2-piperidinecarboxylic acid 1 and cis-3-(1-hydroxy-2-phosphonoethyl)-2-piperidinecarboxylic acid 2 were synthesized and found to be potent N-methyl-D-aspartate (NMDA) antagonists. NMR analysis showed that 1 prefers a 2eq,3ax chair conformation probably due to a conformer-stabilizing internal hydrogen bond. LÄS MER