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Single Crystal Diffraction: Dual System

English title Single Crystal Diffraction: Dual System
Applicant Coskun Ali
Number 183293
Funding scheme R'EQUIP
Research institution Département de Chimie Université de Fribourg
Institution of higher education University of Fribourg - FR
Main discipline Inorganic Chemistry
Start/End 01.09.2019 - 31.08.2020
Approved amount 328'000.00
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Keywords (8)

Single Crystal Diffraction; Biomedicinal Chemistry; Dual Beamline; Coordination Chemistry; MOFs (Metal organic frameworks); Rapid detection; Solid State Chemistry; Bioinorganic Chemistry

Lay Summary (German)

Lead
Single crystal X-ray analysis allows to understand how atoms are bound to each other in molecules and how the molecules arrange into solids. This unique X-ray diffraction system acquired via the R’Equip project will allow full structural characterization of porous materials for CO2 capture, biomolecule assemblies for functional food materials, compounds with antibacterial property as well as Vitamin B12 derivatives.
Lay summary

Am Department für Chemie der Universität Fribourg werden täglich neue Materialien synthetisiert, die auch gründlich charakterisiert werden müssen. Eine essentielle Methode, um die Nanostruktur der Materialien zu analysieren und zu verifizieren, ist die Einkristall Röntgendiffraktometrie. Diese Methode gibt Einblicke in die Anordnung der Atome und Moleküle im Festkörper. Dieses Wissen ist von grundlegendem Interesse für die Erklärung und Weiterentwicklung von Materialeigenschaften.  

Die Arbeitsgruppe von Prof. Ali Coskun, der 2017 an der Universität Fribourg gestartet hat, untersucht eine relativ neue Materialklasse, sogenannte „Metall-Organic Frameworks“ (MOFs). Diese porösen Materialien finden weitreichende Anwendung, zum Beispiel in der Sequestrierung von Kohlenstoffdioxid aus der Luft und als Wasserstoffspeicher. Die präzise Struktur dieser MOFs kann aufgrund der Porosität mit gewöhnlichen Einkristall Röntgendiffraktometern nicht aufgelöst werden. Das neue Diffraktometer, das über dieses R’Equip Projekt gekauft wurde, erlaubt jedoch eine detaillierte Charakterisierung dieser Materialien.

Die Gruppe von Prof. Fabio Zobi, die seit 2015 an der Universität Fribourg tätig ist, profitiert auch grundlegend von dieser neuen Anschaffung: Einkristalle, die komplexe Moleküle wie Vitamin B12 enthalten, können damit analysiert werden.

Die Gruppe von Prof. Katharina Fromm hat kürzlich ihre Forschungsinitiative in bioorganischer Chemie von Silber gestartet, wo die Analyse von Peptid Einkristallen eine wichtige Rolle spielt, wofür dieses Gerät ebenso sehr geeignet ist.

Die Gruppe von Prof. Andreas Kilbinger benötigt das neue Gerät für die Analyse von organischen Molekülen, die essentiell für die Entwicklung der katalysierten lebenden Polymerisationsreaktionen sind. 

Die neue Gruppe von Prof. Stefan Salentinig, die 2019 an der Universität Fribourg gestartet hat, benötigt dieses Diffraktometer für die Analyse der Feinstruktur von Biomaterialien mit potentieller Anwendung als neue antibiotische Substanzen oder als funktionelle Lebensmittel. Das neue Set-up ist für solche Fragestellungen ideal. 

Weiter dient dieses Einzelkristall Diffraktometer auch Forschungsgruppen am AMI, der FH Fribourg und an der Empa sowie anderen Organisationen in der gesamten Schweiz.

Direct link to Lay Summary Last update: 04.03.2019

Responsible applicant and co-applicants

Project partner

Publications

Publication
Design, synthesis and in vivo evaluation of 3-arylcoumarin derivatives of rhenium(I) tricarbonyl complexes as potent antibacterial agents against methicillin-resistant Staphylococcus aureus (MRSA)
Sovari Sara Nasiri, Vojnovic Sandra, Bogojevic Sanja Skaro, Crochet Aurelien, Pavic Aleksandar, Nikodinovic-Runic Jasmina, Zobi Fabio (2020), Design, synthesis and in vivo evaluation of 3-arylcoumarin derivatives of rhenium(I) tricarbonyl complexes as potent antibacterial agents against methicillin-resistant Staphylococcus aureus (MRSA), in European Journal of Medicinal Chemistry, 205, 112533-112533.
Identification of novel potent and non-toxic anticancer, anti-angiogenic and antimetastatic rhenium complexes against colorectal carcinoma
Delasoie Joachim, Pavic Aleksandar, Voutier Noémie, Vojnovic Sandra, Crochet Aurelien, Nikodinovic-Runic Jasmina, Zobi Fabio (2020), Identification of novel potent and non-toxic anticancer, anti-angiogenic and antimetastatic rhenium complexes against colorectal carcinoma, in European Journal of Medicinal Chemistry, 204, 112583-112583.
Bimetallic Salen-Based Compounds and Their Potential Applications
Finelli Alba, Abram Sarah-Luise, Hérault Nelly, Crochet Aurélien, Fromm Katharina M. (2020), Bimetallic Salen-Based Compounds and Their Potential Applications, in Crystal Growth & Design, 20(8), 4945-4958.
Indirect solvent assisted tautomerism in 4-substituted phthalimide 2-hydroxy-Schiff bases
Yordanov Dancho, Deneva Vera, Georgiev Anton, Crochet Aurelien, Fromm Katharina M., Antonov Liudmil (2020), Indirect solvent assisted tautomerism in 4-substituted phthalimide 2-hydroxy-Schiff bases, in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 237, 118416-118416.
OH Group Effect in the Stator of β-Diketones Arylhydrazone Rotary Switches
Hristova Silvia, Kamounah Fadhil S., Crochet Aurelien, Vassilev Nikolay, Fromm Katharina M., Antonov Liudmil (2020), OH Group Effect in the Stator of β-Diketones Arylhydrazone Rotary Switches, in Chemistry, 2(2), 374-389.
Tautomerism and Self-Association in the Solution of New Pinene-Bipyridine and Pinene-Phenanthroline Derivatives
Solea Atena B., Cornu Ivan, Deneva Vera, Crochet Aurelien, Fromm Katharina M., Antonov Liudmil, Allemann Christophe, Mamula Olimpia (2020), Tautomerism and Self-Association in the Solution of New Pinene-Bipyridine and Pinene-Phenanthroline Derivatives, in Molecules, 25(2), 298-298.

Datasets

X-ray Crystal Structure

Author Pharisa, Lionel
Publication date 25.03.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24wdt8
Repository ​​The Cambridge Crystallographic Data Centre (CCDC)


X-Ray Crystal Structure

Author Delasoie, Joachim
Publication date 05.02.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24jmkw
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Delasoie, Joachim
Publication date 05.02.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24jmlx
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Delasoie, Joachim
Publication date 05.02.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24jmmy
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Delasoie, Joachim
Publication date 05.02.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24jmnz
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-Ray Crystal Structure

Author Delasoie, Joachim
Publication date 05.02.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24jmp0
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-Ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) 10.5517/ccdc.csd.cc24d872
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24d883
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24d894
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24d8b5
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24d8c6
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24d8d7
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24d8f8
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Sovari, Sara Nasiri
Publication date 15.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24d8g9
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Hristova, Silvia
Publication date 31.03.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24xw98
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Hristova, Silvia
Publication date 31.03.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24xwb9
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Finelli, Alba
Publication date 29.11.2019
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc20gjkl
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Yordanov, Dancho
Publication date 16.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24dgxy
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Strcuture

Author Yordanov, Dancho
Publication date 16.01.2020
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc24dgyz
Repository The Cambridge Crystallographic Data Centre (CCDC)


X-ray Crystal Structure

Author Solea, Atena B.
Publication date 10.10.2019
Persistent Identifier (PID) DOI: 10.5517/ccdc.csd.cc23qs2q
Repository The Cambridge Crystallographic Data Centre (CCDC)


Collaboration

Group / person Country
Types of collaboration
Prof. Luidmil Antonov from the University of Sofia Bulgaria (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Research Infrastructure

Communication with the public

Communication Title Media Place Year
Other activities Website of the chemistry department International German-speaking Switzerland Western Switzerland 2019

Associated projects

Number Title Start Funding scheme
173012 Particle systems between order and disorder: Structural in-situ studies for particle system synthesis and their early event dynamics in bio environments 01.04.2017 Project funding (Div. I-III)
175947 Catalytic Polymeric Membranes for the Simultaneous Capture and Conversion of CO2 from Various Emission Sources 01.12.2017 Project funding (Div. I-III)
141849 NCCR Bio-Inspired Materials: Center for Bio-Inspired Stimuli-Responsive Materials (phase I) 01.06.2014 National Centres of Competence in Research (NCCRs)
178827 Bioinorganic Chemistry of Silver: Biomineralization, Silver Resistance, Antimicrobial Activity and more 01.05.2018 Project funding (Div. I-III)
170589 Bio-Inspired Vectors and Materials for the Targeted Delivery of CO-Releasing Molecules and Chemotherapeutic Agents 01.07.2017 SNSF Professorships

Abstract

Since the first installation of single crystal diffraction systems at the Chemistry Department of the University of Fribourg by the Fromm group in 2006, research at the Chemistry Department has changed significantly. Six out of eight permanent professors retired and new colleagues joined the department with new research focus. For example, the Coskun group is developing porous metal-organic frameworks, MOFs, which contain organic ligands and a large number of guest molecules in the pores as well as shape-persistent organic cages. The group relies thus on single crystal structure determination for their investigation and understanding of structure-property-relationships. Prof. Fabio Zobi is interested in medicinal chemistry and investigates metal complexes involving vitamin B12, typically leading to small single crystals with large organic ligands. The Fromm group’s research has evolved towards the bioinorganic chemistry of silver, and includes the study of peptides, small proteins as well as their coordination to silver ions. Among other users in the department, Dr. Albert Ruggi is developing catalysts for the photosplit-ting of water based on coordination compounds with large organic ligands. The group of Andreas Kilbinger uses metal-organic compounds as catalysts for polymerization reactions, which he characterizes via single crystal diffraction. We apply now for a unique combination of dual beam single crystal diffraction system with Pilatus detector, which covers on one hand the additional need, on the other allows to measure also the challenging tiny crystals of compounds containing large organic molecules. The new set-up will include X-ray sources, which have a much higher brilliance than the currently used Mo-sources in our diffraction systems, while at the same time having a lower power consumption. This dual beam line set-up will further allow to rapidly collect data on the same single crystal with different X-ray wave lengths without having to change the machine, which will be a significant advantage particularly for sensitive and easily degrading samples. A further advantage is the 4-circle goniometer, which will allow us to collect redundant data at different positions in chi, while the detector is noise-free and can hence record also very weak reflections next to strong ones. Such a detector will be extremely useful for tackling problems like twinning, superstructures or modulated structures, which can easily occur in MOF-type com-pounds and peptide based materials. Furthermore, the 20 bit dynamics of the detector will allow a short readout time of 8 milliseconds, while our current detectors (IPDS) require 90 seconds for readout.The proposed system will thus fulfill the requirements of the new colleagues and of new research projects in the department as well as in the university.
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