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Mechanistic and structural investigations by NMR spectroscopy on a wide scope of compounds - from natural products and proteins to artificial enzymes, organometal catalysts and supramolecular materials

English title Mechanistic and structural investigations by NMR spectroscopy on a wide scope of compounds - from natural products and proteins to artificial enzymes, organometal catalysts and supramolecular materials
Applicant Häussinger Daniel
Number 133766
Funding scheme R'EQUIP
Research institution Departement Chemie Universität Basel
Institution of higher education University of Basel - BS
Main discipline Organic Chemistry
Start/End 01.12.2010 - 30.11.2011
Approved amount 300'000.00
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All Disciplines (3)

Discipline
Organic Chemistry
Inorganic Chemistry
Physical Chemistry

Keywords (7)

natural product; paramagnetic protein NMR; enantioselective metal catalyst; artificial enzyme; metallopolymer; enantio-selective metal catalyst; metallo-polymer

Lay Summary (German)

Lead
Lay summary
Hintergrund: Kernmagnetische Resonanz Spektroskopie (NMR) ist für präparativ arbeitende anorganische und (metall-)organische ChemikerInnen die wichtigste Technik zur Charakterisierung von neuen Verbindungen. Das beantragte Projekt dient der Erneuerung der NMR-Infrastruktur im Departement Chemie und der Anpassung auf den neuesten technischen Stand. Konkret werden zwei hochmoderne, digital arbeitende NMR-Spektrometer Konsolen angeschafft, die für zahlreiche Projekte im Departement Chemie unentbehrlich sind.Ziel: Die neuen NMR-Spektrometer sollen bei folgenden konkreten Fragestellungen eingesetzt werden:- Untersuchungen zur Wechselwirkung zwischen Proteinen untereinander und zwischen Proteinen und kleinen Molekülen mittels pramagnetischen Effekten in NMR Experimenten, die die Charakterisierung von Wechselwirkung in bislang aufgrund Ihrer Komplexität unzugänglichen Problemen ermöglichen soll (grosse Proteine, schwache Wechselwirkungen)- Aufklärung der Struktur und daran anschliessende Synthese neuer Naturstoffe mit neuartigen Architekturen, die ungewöhnliche Eigenschaften als Wirkstoffe aufweisen.- Mechanistische Untersuchungen an Iridium-Katalysatoren die zur asymmetrischen Hdryrierung ungesättigter Kohlenwasserstoffe eingesetzt werden.- Strukturelle und mechanistische Experimente, die zur Entwicklung künstlicher Metallo-Enzyme auf der Basis der Streptavidin-Biotin Interaktion führen sollen.- NMR basierte Charakterisierung der Molekülgrösse in Metallo-Polymeren und Metallo-Macrozyklen.Bedeutung: Die Aufwertung der NMR-Infrastruktur ist von entscheidender und kritischer Wichtigkeit für die Durchführung der oben angeführten Untersuchungen. Die breitgefächerten Forschungsprojekte dienen der detailierteren Einsicht in relevante Grundlagen der Wechselwirkung zwischen Molekülen, der Entwicklung neuer Wirkstoffe und Materialien, sowie resourcenschonender Katalysatoren.
Direct link to Lay Summary Last update: 21.02.2013

Responsible applicant and co-applicants

Publications

Publication
Enantioselective synthesis of cis-1,2-disubstituted cyclopentanes and cyclohexanes by Suzuki-Miyaura cross-coupling and iridium-catalyzed asymmetric hydrogenation.
Schumacher Andreas, Schrems Marcus G, Pfaltz Andreas (2011), Enantioselective synthesis of cis-1,2-disubstituted cyclopentanes and cyclohexanes by Suzuki-Miyaura cross-coupling and iridium-catalyzed asymmetric hydrogenation., in Chemistry (Weinheim an der Bergstrasse, Germany), 17(48), 13502-9.
Environmental control of solution speciation in cobalt(II) 2,2':6',2''-terpyridine complexes: anion and solvent dependence.
Constable Edwin C, Harris Kate, Housecroft Catherine E, Neuburger Markus, Zampese Jennifer A (2011), Environmental control of solution speciation in cobalt(II) 2,2':6',2''-terpyridine complexes: anion and solvent dependence., in Dalton transactions (Cambridge, England : 2003), 40(43), 11441-50.
Catalytic Enantioselective Total Synthesis of (+)-Torrubiellone C
Jessen HJ, Schumacher A, Schmid F, Pfaltz A, Gademann K (2011), Catalytic Enantioselective Total Synthesis of (+)-Torrubiellone C, in ORGANIC LETTERS, 13(16), 4368-4370.
Human carbonic anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchor.
Monnard Fabien W, Heinisch Tillmann, Nogueira Elisa S, Schirmer Tilman, Ward Thomas R (2011), Human carbonic anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchor., in Chemical communications (Cambridge, England), 47(29), 8238-40.
Synthesis of Withanolide A, Biological Evaluation of Its Neuritogenic Properties, and Studies on Secretase Inhibition.
Jana Chandan Kumar, Hoecker Johannes, Woods Tom M, Jessen Henning J, Neuburger Markus, Gademann Karl (2011), Synthesis of Withanolide A, Biological Evaluation of Its Neuritogenic Properties, and Studies on Secretase Inhibition., in Angewandte Chemie (International ed. in English), 50, 8407-8411.
A unified approach for the stereoselective total synthesis of pyridone alkaloids and their neuritogenic activity.
Jessen Henning Jacob, Schumacher Andreas, Shaw Travis, Pfaltz Andreas, Gademann Karl (2011), A unified approach for the stereoselective total synthesis of pyridone alkaloids and their neuritogenic activity., in Angewandte Chemie (International ed. in English), 50(18), 4222-6.
Zwitterionic iridium complexes with P,N-ligands as catalysts for the asymmetric hydrogenation of alkenes.
Franzke Axel, Pfaltz Andreas (2011), Zwitterionic iridium complexes with P,N-ligands as catalysts for the asymmetric hydrogenation of alkenes., in Chemistry (Weinheim an der Bergstrasse, Germany), 17(15), 4131-4144.
When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.
Constable Edwin C, Harris Kate, Housecroft Catherine E, Neuburger Markus (2011), When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle., in Dalton transactions (Cambridge, England : 2003), 40(7), 1524-34.
Artificial metalloenzymes based on the biotin-avidin technology: enantioselective catalysis and beyond.
Ward Thomas R (2011), Artificial metalloenzymes based on the biotin-avidin technology: enantioselective catalysis and beyond., in Accounts of chemical research, 44(1), 47-57.

Scientific events

Active participation

Title Type of contribution Title of article or contribution Date Place Persons involved
Frontiers in Glycostructure and Membrane Biology 14.09.2011 Forschungszentrum Borstel, BRD


Associated projects

Number Title Start Funding scheme
125781 NCCR Chemical Biology: Visualisation and Control of Biological Processes Using Chemistry (phase I) 01.12.2010 National Centres of Competence in Research (NCCRs)
126465 Photoactive heavy transition metal conjugates 01.10.2009 Project funding (Div. I-III)

Abstract

The requested funding will be used for the replacement and upgrading of our dedicated research NMR instrumentation at the department of chemistry (500 and 600 MHz spectrometers). All of the five applicants use NMR as a key technique and critically rely on sufficient experiment time on state of the art technology spectrometers. Detailed information on the mechanistic and structural investigations that are carried out in the fields of natural product research, paramagnetic protein NMR, artificial enzymes, asymmetric organometal catalysis, metallopolymers, and supramolecular chemistry are provided, to unambiguously demonstrate the necessity and the potential achievements that can be expected from the desired upgrade.
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