Feb 27, 2019

Assignment of NMR resonances of protons covalently bound to photochemically active cofactors in photosynthetic reaction centers by 13C–1H photo-CIDNP MAS-J-HMQC experiment

Bielytskyi, Pavlo, Daniel Gräsing, Stefan Zahn, Kaustubh R. Mote, A. Alia, P.K. Madhu, and Jörg Matysik. “Assignment of NMR Resonances of Protons Covalently Bound to Photochemically Active Cofactors in Photosynthetic Reaction Centers by 13C–1H Photo-CIDNP MAS-J-HMQC Experiment.” Journal of Magnetic Resonance 298 (January 2019): 64–76.


Modified versions of through-bond heteronuclear correlation (HETCOR) experiments are presented to take advantage of the light-induced hyperpolarization that occurs on 13C nuclei due to the solid-state photochemically induced dynamic nuclear polarization (photo-CIDNP) effect. Such 13C–1H photoCIDNP MAS-J-HMQC and photo-CIDNP MAS-J-HSQC experiments are applied to acquire the 2D 13C–1H correlation spectra of selectively 13C-labeled photochemically active cofactors in the frozen quinoneblocked photosynthetic reaction center (RC) of the purple bacterium Rhodobacter (R.) sphaeroides wildtype (WT). Resulting spectra contain no correlation peaks arising from the protein backbone, which greatly simplifies the assignment of aliphatic region. Based on the photo-CIDNP MAS-J-HMQC NMR experiment, we obtained assignment of selective 1H NMR resonances of the cofactors involved in the electron transfer process in the RC and compared them with values theoretically predicted by density functional theory (DFT) calculation as well as with the chemical shifts obtained from monomeric cofactors in the solution. We also compared proton chemical shifts obtained by photo-CIDNP MAS-J-HMQC experiment under continuous illumination with the ones obtained in dark by classical crosspolarization (CP) HETCOR. We expect that the proposed approach will become a method of choice for obtaining 1H chemical shift maps of the active cofactors in photosynthetic RCs and will aid the interpretation of heteronuclear spin-torch experiments.

[NMR] 1. KTP postdoc with AZ; 2. PhD opening

Two openings in the University of Warwick Solid-State NMR group:

(1). A two-year post-doctoral position, starting 1st July 2019 (closing date: 26th March)

The Associate will apply NMR crystallography methodology to characterise pharmaceutical systems exhibiting disorder in the solid state in this Knowledge Transfer Partnership (KTP) project between the Solid-State NMR Group at the University of Warwick (Departments of Physics and Chemistry) and the global biopharmaceutical company, AstraZeneca (Macclesfield). The Associate will be expected to work mostly at AstraZeneca’s Research & Development Campus in Macclesfield, U.K., making some visits to University of Warwick. The successful candidate will work in close collaboration with Professor Steven P. Brown (University of Warwick, Physics) and Dr Jozef R. Lewandowski (University of Warwick, Chemistry) and Dr Leslie P. Hughes and Dr Helen Blade (AstraZeneca, Macclesfield).


(2). A four-year PhD position, starting September 2019

Supervisors: Steven P. Brown (Physics) and Jozef R. Lewandowski (Chemistry)

In this project that is supported by Bruker, you will develop MAS NMR methods that make use of state-of-the-art fast MAS technology. The project will combine experimental solid-state NMR in the University of Warwick Magnetic Resonance Laboratory (a suite of solid-state NMR spectrometers up to 700 MHz, also hosting the UK 850 MHz Solid-State NMR Facility, with a 1 GHz system to be delivered in 2020) with simulation, e.g., using the SIMPSON software that implements the density operator quantum-mechanics description of the NMR experiment. The focus will be on developing solid-state NMR methods using model compounds, of relevance for application to moderately sized pharmaceutical molecules and biological systems.


Steven Brown
Department of Physics
University of Warwick
Coventry CV4 7AL

United Kingdom, EUROPE
Tel: 00 44 24 76574359
Fax: 00 44 24 76150897

Warwick group webpage: http://go.warwick.ac.uk/nmr/
The UK 850 MHz solid-state NMR facility: http://go.warwick.ac.uk/850mhz/

Getting to Millburn House: http://go.warwick.ac.uk/nmr/getting_here

Molecular Analytical Sciences Centre for Doctoral Training: http://www2.warwick.ac.uk/fac/sci/mas

Researcher ID: http://www.researcherid.com/rid/F-8765-2014 ORCID ID: 0000-0003-2069-8496

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Feb 25, 2019

[IES] New Award announcement from IES - Best paper Award


Dear (active) IES member

The IES announces the NEW 2019 IES Best Paper Award. The IES looks forward to highlighting exciting advances and breakthrough development in the broad area of EPR and ESR. This award will be given to up 2 publications per year, and the first author recognized with this award. The expectation is that the first author is a young scientist. Nomination can be made by any IES member, faculty or student. If self-nomination is made, it can be made only by the first author or the corresponding author. Nomination by first author should be accompanied by letter from the corresponding author explaining the role of the first author. Deadline for this Award is April 1st 2019.

The application material that includes the following items should be packed into a single PDF document and emailed to the IES secretary ab359@technion.ac.il .

1) Cover letter not exceeding 1 page with your name, role and affiliation, full citation of the paper and explanation as to why this paper represents an exciting advance and breakthrough development in the broad area of EPR and ESR.

2) PDF of the nominated publication.

3) If applicable, letter from the corresponding author, not exceeding 1 page, explaining the role of the first author.

Regards

Aharon Blank
Schulich Faculty of Chemistry
Technion - Israel Institute of Technology.
Haifa 32000
Israel

Phone: +972-4-829-3679
fax: +972-4-829-5948

A portable ventilator with integrated physiologic monitoring for hyperpolarized 129Xe MRI in rodents

Virgincar, Rohan S., Jerry Dahlke, Scott H. Robertson, Nathann Morand, Yi Qi, Simone Degan, Bastiaan Driehuys, and John C. Nouls. “A Portable Ventilator with Integrated Physiologic Monitoring for Hyperpolarized 129Xe MRI in Rodents.” Journal of Magnetic Resonance 295 (October 2018): 63–71.

Hyperpolarized (HP) 129Xe MRI is emerging as a powerful, non-invasive method to image lung function and is beginning to find clinical application across a range of conditions. As clinical implementation progresses, it becomes important to translate back to well-defined animal models, where novel disease signatures can be characterized longitudinally and validated against histology. To date, preclinical 129Xe MRI has been limited to only a few sites worldwide with 2D imaging that is not generally sufficient to fully capture the heterogeneity of lung disease. To address these limitations and facilitate broader dissemination, we report on a compact and portable HP gas ventilator that integrates all the gas-delivery and physiologic monitoring capabilities required for high-resolution 3D hyperpolarized 129Xe imaging. This ventilator is MR- and HP-gas compatible, driven by inexpensive microcontrollers and open source code, and allows for precise control of the tidal volume and breathing cycle in perorally intubated mice and rats. We use the system to demonstrate data acquisition over multiple breath-holds, during which lung motion is suspended to enable high-resolution 3D imaging of gas-phase and dissolved-phase 129Xe in the lungs. We demonstrate the portability and versatility of the ventilator by imaging a mouse model of lung cancer longitudinally at 2-Tesla, and a healthy rat at 7 T. We also report the detection of subtle spectroscopic fluctuations in phase with the heart rate, superimposed onto larger variations stemming from the respiratory cycle. This ventilator was developed to facilitate duplication and gain broad adoption to accelerate preclinical 129Xe MRI research.

Feb 22, 2019

Electron decoupling with cross polarization and dynamic nuclear polarization below 6 K #DNPNMR

Sesti, Erika L., Edward P. Saliba, Nicholas Alaniva, and Alexander B. Barnes. “Electron Decoupling with Cross Polarization and Dynamic Nuclear Polarization below 6 K.” Journal of Magnetic Resonance 295 (October 2018): 1–5.


Dynamic nuclear polarization (DNP) can improve nuclear magnetic resonance (NMR) sensitivity by orders of magnitude. Polarizing agents containing unpaired electrons required for DNP can broaden nuclear resonances in the presence of appreciable hyperfine couplings. Here we present the first cross polarization experiments implemented with electron decoupling, which attenuates detrimental hyperfine couplings. We also demonstrate magic angle spinning (MAS) DNP experiments below 6 K, producing unprecedented nuclear spin polarization in rotating solids. 13C correlation spectra were collected with MAS DNP below 6 K for the first time. Longitudinal magnetization recovery times with MAS DNP (T1DNP, 1H) of urea in a frozen glassy matrix below 6 K were measured for both the solid effect and the cross effect. Trityl radicals exhibit a T1DNP (1H) of 18.7 s and the T1DNP (1H) of samples doped with 20 mM AMUPol is only 1.3 s. MAS below 6 K with DNP and electron decoupling is an effective strategy to increase NMR signal-to-noise ratios per transient while retaining short recovery periods.

[NMR] Junior professor position in solid-state NMR at Ecole Normale Supérieure, Paris


Dear colleagues,


We are inviting applications for a «Junior Professor» (tenure-track) position in NMR spectroscopy at the Department of Chemistry of Ecole Normale Supérieure (ENS) in Paris. The candidate will join the NMR team of the « Laboratoire des biomolécules » (LBM), and will benefit from an outstanding scientific environment in terms of equipment and potential collaborations in the laboratory, the department and more generally in PSL University.

Candidates should have a record of outstanding research achievements, in any field of solid-state NMR. Early and mid-career candidates are invited to apply.

The candidate is expected to engage in an original, independent, and high-level research activity in the domain of solid-state NMR, in association with Dynamic Nuclear Polarisation. Research projects should explore synergies with other research groups in the LBM and in the Department of Chemistry.

He/she will teach at the undergraduate and graduate levels as part of the Chemistry curriculum at ENS and PSL University, where original contributions beyond domains presently covered (e.g. NMR of bio-solids or materials) will be welcome.

The NMR lab currently houses three spectrometers: a wide bore 800 MHz; a standard bore 600 MHz with high resolution relaxometry and two-field NMR capabilities, and a wide bore 400 MHz. The 800 MHz spectrometer is equipped with solid-state NMR probes operating both at room and low (100 K) temperatures, and is coupled with a gyrotron for Dynamic Nuclear Polarisation Magic-Angle Spinning NMR (DNP-MAS) experiments. In addition, two state-of-the-art dissolution-DNP polarizers (including a cryogen-free system) are available for use with all spectrometers.

Candidates should send an application including a cover letter, a CV, full list of publications, a highlight of three to five selected major achievements, a description (3-5 pages) of the proposed research and teaching projects. In addition, the candidates should propose the names of three scientists to be contacted for letters of recommendation, and may also send three such letters to recruitment.jp.nmr@ens.fr. Interested candidates should send requests for additional information to the same address: recruitment.jp.nmr@ens.fr. For all communications, the subject line should start with the words NMR ENS POSITION followed by the name of the applicant.

Screening of applications will continue until April 15th 2019.

-- Daniel Abergel, MD, PhD Laboratoire des Biomolécules UMR7203 Département de Chimie Ecole Normale Supérieure 24, rue Lhomond, 75005 Paris Tel. : +33 1 44 32 32 65 email : daniel.abergel@ens.fr



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Feb 20, 2019

Open Position at Bridge12 #DNPNMR

Bridge12 is hiring. We have an open position for a scientist in the area of instrument development for magnetic resonance spectroscopy (EPR, NMR, DNP).

As a scientist at Bridge12, you will work on multidisciplinary projects covering large aspects of magnetic resonance, instrumentation design, development of prototypes and conduct research. The position requires creativity in a wide range of areas of magnetic resonance spectroscopy including NMR and EPR spectroscopy, imaging, and instrument development. We are looking for a highly motivated, highly organized individual who enjoys an innovative, interdisciplinary environment and the challenges that come with manufacturing high-tech, scientific instrumentation. You will work out of the Bridge12 facilities in Framingham, MA with only occasional travel (conferences, tradeshows etc.).

The complete job ad can be found here:

Surface chemical heterogeneity modulates silica surface hydration #DNPNMR #ODNP

Schrader, Alex M., Jacob I. Monroe, Ryan Sheil, Howard A. Dobbs, Timothy J. Keller, Yuanxin Li, Sheetal Jain, M. Scott Shell, Jacob N. Israelachvili, and Songi Han. “Surface Chemical Heterogeneity Modulates Silica Surface Hydration.” Proceedings of the National Academy of Sciences 115, no. 12 (March 20, 2018): 2890–95.


An in-depth knowledge of the interaction of water with amorphous silica is critical to fundamental studies of interfacial hydration water, as well as to industrial processes such as catalysis, nanofabrication, and chromatography. Silica has a tunable surface comprising hydrophilic silanol groups and moderately hydrophobic siloxane groups that can be interchanged through thermal and chemical treatments. Despite extensive studies of silica surfaces, the influence of surface hydrophilicity and chemical topology on the molecular properties of interfacial water is not well understood. In this work, we controllably altered the surface silanol density, and measured surface water diffusivity using Overhauser dynamic nuclear polarization (ODNP) and complementary silica–silica interaction forces acrosswater using a surface forces apparatus (SFA). The results show that increased silanol density generally leads to slower water diffusivity and stronger silica– silica repulsion at short aqueous separations (less than ∼4 nm). Both techniques show sharp changes in hydration properties at intermediate silanol densities (2.0–2.9 nm−2). Molecular dynamics simulations of model silica–water interfaces corroborate the increase in water diffusivity with silanol density, and furthermore show that even on a smooth and crystalline surface at a fixed silanol density, adjusting the spatial distribution of silanols results in a range of surface water diffusivities spanning ∼10%. We speculate that a critical silanol cluster size or connectivity parameter could explain the sharp transition in our results, and can modulate wettability, colloidal interactions, and surface reactions, and thus is a phenomenon worth further investigation on silica and chemically heterogeneous surfaces.






Feb 19, 2019

[NMR] PhD position in solid-state NMR of microbattery materials at the Univ. Lille, France


A three-year PhD position in solid-state NMR spectroscopy of microbattery materials is available at the University of Lille, Lille, France. It will start in the fall 2019.

Project description: All-solid-state microbatteries are promising devices for a broad range of applications pertaining to communication, consumer electronics, products and people identification, traceability, security (bank transaction) as well as to smart environment and the internet of things. Nevertheless, a limitation of these devices is the limited Li+conductivity of the lithium phosphorous oxinitride (LiPON). The conductivity of this the commercial standard electrolyte is 3 orders of magnitude lower than that of conventional Li-ion cells using liquid electrolytes. Recently innovative electrolytes with conductivity enhanced by one order of magnitude have been developed. In this project, we will develop and apply advanced solid-state NMR, Transmission Electron Microscopy (TEM) and Pair Distribution Function (PDF) techniques in order to elucidate the atomic-level structure and dynamics of these innovative electrolytes. For solid-state NMR characterization, Dynamic Nuclear Polarization (DNP), small rotor diameters and high magnetic fields will notably been employed in order to improve the sensitivity and/or the resolution of this technique. The structural and dynamic information obtained in the project will be correlated to the electrical and electrochemical properties of the electrolytes, in order to improve in a rational way the performances of the microbatteries. This PhD grant is funded by ANR funding agency.

Host and research infrastructure: Lille is a vibrant and handsome city, imbued with a rich history, located in the middle of northwestern Europe (only 30 min by high-speed trains from Brussels, 1h from Paris and 1h30 from London). Lille is one of France’s top student cities and the university of Lille is a leading center for magnetic resonance. Lille NMR facility includes 800 and 900 MHz NMR spectrometers and has been selected to host the first 1.2 GHz NMR spectrometer to be installed in France. Our research group is internationally known for the development of solid-state NMR methods, notably for quadrupolar nuclei, and the characterization of inorganic materials. We have an expertise in high-field solid-state NMR spectroscopy and were among the pioneers of high-field DNP-NMR of hybrid and inorganic materials. 

The person: We seek application from national and international students who have graduated in physics or chemistry, preferably with a background in material sciences or NMR spectroscopy. The successful applicant will be given the opportunity to work in an exciting environment with national and international collaborations.

Contact: Applications (cover letter, CV, transcripts of grades and names for recommendation) and informal queries about the lab and research projects should be directed by email to olivier.lafon@univ-lille.fr and frederique.pourpoint@ensc-lille.fr.


Recent selected publications:
(1) Wang, Z.; Jiang, Y.; Lafon, O.; Trébosc, J.; Kim, K. D.; Stampfl, C.; Baiker, A.; Amoureux, J.-P.; Huang, J. Brønsted Acid Sites Based on Penta-Coordinated Aluminum Species. Nat. Commun.2016, 7, 13820. https://doi.org/10.1038/ncomms13820.
(2) Qi, G.; Wang, Q.; Xu, J.; Trébosc, J.; Lafon, O.; Wang, C.; Amoureux, J.-P.; Deng, F. Synergic Effect of Active Sites in Zinc-Modified ZSM-5 Zeolites as Revealed by High-Field Solid-State NMR Spectroscopy. Angew. Chem. Int. Ed.2016, 55(51), 15826–15830. https://doi.org/10.1002/anie.201608322.
(3) Giovine Raynald; Volkringer Christophe; Ashbrook Sharon E.; Trébosc Julien; McKay David; Loiseau Thierry; Amoureux Jean‐Paul; Lafon Olivier; Pourpoint Frédérique. Solid‐State NMR Spectroscopy Proves the Presence of Penta‐coordinated Sc Sites in MIL‐100(Sc). Chem. – Eur. J.2017, 23(40), 9525–9534. https://doi.org/10.1002/chem.201700584.


INSTITUTE FOR CATALYSIS AND SOLID-STATE CHEMISTRY
UCCS - UMR CNRS 8181
Univ. de Lille
59655 Villeneuve d’Ascq cedex
France


Olivier Lafon
Professor
Member of Institut Universitaire de France

Tel.: (+33) 03 20 43 41 43
Fax: (+33) 03 20 43 68 14

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[NMR] Postdoctoral Research Associate in Magnetic Resonance Method Development - University of Oxford , Department of Chemistry



Applications are invited for a Postdoctoral Research Associate to work under the supervision of Dr Mohammadali Foroozandeh on a research project funded by the Royal Society for up to 18 months. The project involves design and development of novel pulsed techniques to effectively manipulate quantum spin systems, and analyses of spectroscopic data, especially drawing on computer-assisted methodologies like optimal control and model-based estimation methods, with applications to magnetic resonance (NMR, ESR, MRI, and in vivo MRS) techniques. You should have a very good understanding of the theory of magnetic resonance and good programming skills. You should be able to develop and verify hypotheses and analyse data. You should be able to work and effectively communicate with collaborators with a verity of backgrounds and represent the research group at external meetings and scientific conferences.

You should have a PhD in Chemistry, Physics, Mathematics, or Computer Science (or have submitted a PhD thesis prior to taking up the appointment). The post will be based in Chemistry Research Laboratory, 12 Mansfield Road, Oxford, OX13TA.

Applications for this vacancy are to be made online and you will be required to upload a supporting statement and CV as part of your online application.

Only applications received before 12.00 midday on 21 March 2019 can be considered.

More details and a link to the application form can be found via

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[NMR] open PhD position in Kiel, Germany

Dear colleagues!

the molecular imaging north competence center (MOIN CC) in Kiel, Germany, is looking for a PhD student in the area of parahydrogen hyperpolarization for MRI and NMR.

The PhD position is part of the DFG-funded research training circle 2154 "materials for brain" and more information is available on


Candidates with a physics and engineering background are particularly encouraged to apply. The project is more experimental than theoretical. The salary is quite competitive (and the research is excellent!).

Please inquire and apply via email at info@moincc.de, our webpage is www.moincc.de

Many thanks!
Jan
--
__________________________________________________________________
Prof. Dr. Jan-Bernd Hövener

Head, Section Biomedical Imaging and MOIN CC
Head, Emmy Noether Group Molecular and Metabolic MRI - M3
Section Biomedical Imaging, MOIN CC
Am Botanischen Garten 14

D-24118 Kiel

phone: +49 (0) 431 880-5832
fax: +49 (0) 431 880-5852

Office UKSH
Building 522, Room 107
phone: +49 (0) 431 500 16 600

Office Freiburg
Breisacher Straße 60a,
D-79106 Freiburg
phone: +49 (0) 761 270-93910

web:


__________________________________________________________________

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Feb 18, 2019

Hyperpolarized NMR Spectroscopy: d-DNP, PHIP, and SABRE Techniques #DNPNMR

Kovtunov, Kirill V., Ekaterina V. Pokochueva, Oleg G. Salnikov, Samuel F. Cousin, Dennis Kurzbach, Basile Vuichoud, Sami Jannin, et al. “Hyperpolarized NMR Spectroscopy: D-DNP, PHIP, and SABRE Techniques.” Chemistry - An Asian Journal 13, no. 15 (August 6, 2018): 1857–71.


The intensity of NMR signals can be enhanced by several orders of magnitude by using various techniques for the hyperpolarization of different molecules. Such approaches can overcome the main sensitivity challenges facing modern NMR/magnetic resonance imaging (MRI) techniques, whilst hyperpolarized fluids can also be used in a variety of applications in material science and biomedicine. This Focus Review considers the fundamentals of the preparation of hyperpolarized liquids and gases by using dissolution dynamic nuclear polarization (d-DNP) and parahydrogen- based techniques, such as signal amplification by reversible exchange (SABRE) and parahydrogen-induced polarization (PHIP), in both heterogeneous and homogeneous processes. The various new aspects in the formation and utilization of hyperpolarized fluids, along with the possibility of observing NMR signal enhancement, are described.

Feb 15, 2019

NMR study of optically hyperpolarized phosphorus donor nuclei in silicon #DNPNMR

Gumann, P., H. Haas, S. Sheldon, L. Zhu, R. Deshpande, T. Alexander, M. L. W. Thewalt, D. G. Cory, and C. Ramanathan. “NMR Study of Optically Hyperpolarized Phosphorus Donor Nuclei in Silicon.” Physical Review B 98, no. 18 (November 16, 2018). 


We use above-band-gap optical excitation, via a 1047-nm laser, to hyperpolarize the 31P spins in low-doped (ND = 6x10^15 cm−3) natural abundance silicon at 4.2 K and 6.7 T, and inductively detect the resulting NMR signal. The 30-kHz spectral linewidth observed is dramatically larger than the 600-Hz linewidth observed from a 28Si-enriched silicon crystal. We show that the broadening is consistent with previous electron-nuclear double-resonance results showing discrete isotope mass effect contributions to the donor hyperfine coupling. A secondary source of broadening is likely due to variations in the local strain, induced by the random distribution of different isotopes in natural silicon. The nuclear spin T1 and the buildup time for the optically induced 31P hyperpolarization in the natural abundance silicon sample were observed to be 178 +/- 47 and 69 +/- 6 s, respectively, significantly shorter than the values previously measured in 28Si-enriched samples under the same conditions. We measured the T1 and hyperpolarization buildup time for the 31P signal in natural abundance silicon at 9.4 T to be 54 +/- 31 and 13 +/- 2 s, respectively. The shorter buildup and nuclear spin T1 times at high field are likely due to the shorter electron spin T1, which drives nuclear spin relaxation via nonsecular hyperfine interactions. At 6.7 T, the phosphorus nuclear spin T2 was 16.7 +/- 1.6 ms at 4.2 K, a factor of 4 shorter than in 28Si-enriched crystals. This was observed to shorten to 1.9 +/- 0.4 ms in the presence of the infrared laser.

Feb 13, 2019

[NMR] Postdoc in biomolecular solid-state NMR in Strasbourg, France

Postdoctoral Position: Biomolecular Solid-state NMR 

The laboratory Membrane Biophysics and NMR at the University of Strasbourg has an opening for a postdoctoral position with experience in using solid-state NMR for the analysis of peptides and proteins. The aim of the project is to reveal the structural determinants that define the highly specific lipid recognition motif of a transmembrane protein and to characterize changes in structure, dynamics, oligomerization and topology of the protein as well as the lipids during recognition. Another ongoing project is the structural investigation of peptide fibers with strong nucleic acid and lentiviral transfection potential.

Candidates should have good experience in biomolecular solid-state NMR. Other techniques of the laboratory are solution NMR approaches, various types of biophysical methods, peptide synthesis and/or the biochemical production of proteins. Knowledge in some of these latter techniques are of advantage. S/he should have an interest in working in a highly interdisciplinary, international and collaborative environment. The project and position are funded by a three-year grant from the French National Agency for Research (ANR). The University of Strasbourg chemistry, life sciences and structural biology departments have excellent scientific records, with a multitude of collaborations world-wide.

Strasbourg is a very nice city on the French side of the Rhine river, at the border to Germany, with easy access to nearby mountains (Vosges, Black Forrest, Alps). Being in the heart of Europe it takes only short train rides to multiple destinations of scientific and/or touristic interest. 

Candidates should send their CV, publication list and contact info for three references to:

Prof. Burkhard Bechinger,


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[NMR] Post-doc position in dissolution DNP, Nantes, France


A post-doc position is available in the NMR group of the CEISAM laboratory, University of Nantes, France.

The postdoctoral researcher will join an ERC-funded project, led by Patrick Giraudeau, on the development of dissolution dynamic polarization for analytical chemistry. The project aims at bringing the reproducibility of dissolution DNP to the level that will unlock an array of applications in metabolomics and other “omics” sciences. This requires working at the interface between hardware development, NMR spectroscopy and analytical chemistry. 

The postdoctoral researcher will be in charge of harnessing -on a variety of complex biological samples (model mixtures, extracts, biofluids)- the potential of a new dissolution DNP system that will be installed in CEISAM during the summer 2019. In particular, the postdoctoral researcher will:

  • characterize the performance of the new d-DNP setting, and develop solutions to improve its reproducibility or to correct the effect of irreproducibility on the NMR signal;
  • evaluate the performance of the experimental setting on biological samples of increasing complexity;
  • apply the optimized experiments to a variety of “omics” research questions.

Research will involve close collaboration with the group of Prof. Sami Jannin (Université Claude Bernard Lyon 1, France) and with several French teams in metabolomics, as well as numerous interactions with Bruker Biospin. 

Applicants should hold a Ph.D. in chemistry or physics, and have a demonstrated track record in magnetic resonance instrumentation. Experience in DNP is desirable but not mandatory. Applicants should also show interest for applications to analytical chemistry. Good communication skills and a propensity for teamwork are also essential.

The NMR group of the CEISAM lab works on methods developments in solution-state NMR and their application to the analysis of mixtures. It is equipped with state-of-the-art NMR spectrometers, in the 400 to 700 MHz range. CEISAM is the molecular chemistry lab of the Université de Nantes and is a joint CNRS research unit, where research includes physical, theoretical and analytical chemistry, organic synthesis and catalysis, and chemical biology. The lab is located in the vibrant city of Nantes, close to the beautiful Atlantic coast of South Brittany.

The position is open from October 1st 2019. The net monthly salary will be between 2000 and 2300 €, depending on experience. The position is initially for 1 year but can be extended to 2 years.

Applications must be sent to patrick.giraudeau@univ-nantes.fr. Please include a cover letter, a CV, and 2 reference letters. Applications will be considered until the position is filled.

Recent publications:

J.-N. Dumez, J. Milani, B. Vuichoud, A. Bornet, J. Lalande-Martin, I. Tea, M. Yon, M. Maucourt, C. Deborde, A. Moing, L. Frydman, G. Bodenhausen, S. Jannin, P. Giraudeau, Hyperpolarized NMR of plant and cancer cell extracts at natural abundance, Analyst, 140, 5860-5863, (2015)

A. Bornet, M. Maucourt, C. Deborde, D. Jacob, J. Milani, B. Vuichoud, X. Ji, J.-N. Dumez, A. Moing, G. Bodenhausen, S. Jannin, P. Giraudeau, Highly Repeatable Dissolution Dynamic Nuclear Polarization for Heteronuclear NMR Metabolomics, Anal. Chem., 88, 6179–6183, (2016)

B. Plainchont, P. Berruyer, J.-N. Dumez, S. Jannin, P. Giraudeau, Dynamic Nuclear Polarization Opens New Perspectives for NMR Spectroscopy in Analytical Chemistry, Analytical Chemistry, 90, 3639-3650, (2018)


-- 



Prof. Patrick GIRAUDEAU
CEISAM/Chemistry Department
Faculty of Science and Technology


Tel : (33)251125709

2 rue de la Houssinière BP 92208 
44322 Nantes Cedex 3 
FRANCE 



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Enhanced Dynamic Nuclear Polarization via Swept Microwave Frequency Combs #DNPNMR

Ajoy, A., R. Nazaryan, K. Liu, X. Lv, B. Safvati, G. Wang, E. Druga, et al. “Enhanced Dynamic Nuclear Polarization via Swept Microwave Frequency Combs.” Proceedings of the National Academy of Sciences 115, no. 42 (October 16, 2018): 10576–81. 


Dynamic nuclear polarization (DNP) has enabled enormous gains in magnetic resonance signals and led to vastly accelerated NMR/MRI imaging and spectroscopy. Unlike conventional cw-techniques, DNP methods that exploit the full electron spectrum are appealing since they allow direct participation of all electrons in the hyperpolarization process. Such methods typically entail sweeps of microwave radiation over the broad electron linewidth to excite DNP but are often inefficient because the sweeps, constrained by adiabaticity requirements, are slow. In this paper, we develop a technique to overcome the DNP bottlenecks set by the slow sweeps, using a swept microwave frequency comb that increases the effective number of polarization transfer events while respecting adiabaticity constraints. This allows a multiplicative gain in DNP enhancement, scaling with the number of comb frequencies and limited only by the hyperfine-mediated electron linewidth. We demonstrate the technique for the optical hyperpolarization of 13C nuclei in powdered microdiamonds at low fields, increasing the DNP enhancement from 30 to 100 measured with respect to the thermal signal at 7T. For low concentrations of broad linewidth electron radicals [e.g., TEMPO ((2,2,6,6- tetramethylpiperidin-1-yl)oxyl)], these multiplicative gains could exceed an order of magnitude.

Feb 11, 2019

Hyperpolarized 13C MR metabolic imaging can detect neuroinflammation in vivo in a multiple sclerosis murine model

Guglielmetti, Caroline, Chloé Najac, Alessandro Didonna, Annemie Van der Linden, Sabrina M. Ronen, and Myriam M. Chaumeil. “Hyperpolarized 13C MR Metabolic Imaging Can Detect Neuroinflammation in Vivo in a Multiple Sclerosis Murine Model.” Proceedings of the National Academy of Sciences 114, no. 33 (August 15, 2017): E6982–91. 


Proinflammatory mononuclear phagocytes (MPs) play a crucial role in the progression of multiple sclerosis (MS) and other neurodegenerative diseases. Despite advances in neuroimaging, there are currently limited available methods enabling noninvasive detection of MPs in vivo. Interestingly, upon activation and subsequent differentiation toward a proinflammatory phenotype MPs undergo metabolic reprogramming that results in increased glycolysis and production of lactate. Hyperpolarized (HP) 13C magnetic resonance spectroscopic imaging (MRSI) is a clinically translatable imaging method that allows noninvasive monitoring of metabolic pathways in real time. This method has proven highly useful to monitor the Warburg effect in cancer, through MR detection of increased HP [1-13C]pyruvate-tolactate conversion. However, to date, this method has never been applied to the study of neuroinflammation. Here, we questioned the potential of 13C MRSI of HP [1-13C]pyruvate to monitor the presence of neuroinflammatory lesions in vivo in the cuprizone mouse model of MS. First, we demonstrated that 13C MRSI could detect a significant increase in HP [1-13C]pyruvate-to-lactate conversion, which was associated with a high density of proinflammatory MPs. We further demonstrated that the increase in HP [1-13C]lactate was likely mediated by pyruvate dehydrogenase kinase 1 up-regulation in activated MPs, resulting in regional pyruvate dehydrogenase inhibition. Altogether, our results demonstrate a potential for 13C MRSI of HP [1-13C]pyruvate as a neuroimaging method for assessment of inflammatory lesions. This approach could prove useful not only in MS but also in other neurological diseases presenting inflammatory components.

Feb 8, 2019

A versatile custom cryostat for dynamic nuclear polarization supports multiple cryogenic magic angle spinning transmission line probes #DNPNMR

This article describes a heat exchanger used to generate cold gas for MAS-NMR experiments. Several different designs of this type of device have been described in the literature such as:


  1. The original design reported by Girffin et al.: https://doi.org/10.1016/0022-2364(91)90357-Y
  2. A counter flow heat exchanger reported by Zilm et al.: http://dx.doi.org/10.1016/j.jmr.2004.03.002


Scott, Faith J., Nicholas Alaniva, Natalie C. Golota, Erika L. Sesti, Edward P. Saliba, Lauren E. Price, Brice J. Albert, Pinhui Chen, Robert D. O’Connor, and Alexander B. Barnes. “A Versatile Custom Cryostat for Dynamic Nuclear Polarization Supports Multiple Cryogenic Magic Angle Spinning Transmission Line Probes.” Journal of Magnetic Resonance 297 (December 2018): 23–32.


Dynamic nuclear polarization (DNP) with cryogenic magic angle spinning (MAS) provides significant improvements in NMR sensitivity, yet presents unique technical challenges. Here we describe a custom cryostat and suite of NMR probes capable of manipulating nuclear spins with multi-resonant radiofrequency circuits, cryogenic spinning below 6 K, sample exchange, and microwave coupling for DNP. The corrugated waveguide and six transfer lines needed for DNP and cryogenic spinning functionality are coupled to the probe from the top of the magnet. Transfer lines are vacuum-jacketed and provide bearing and drive gas, variable temperature fluid, two exhaust pathways, and a sample ejection port. The cryostat thermally isolates the magnet bore, thereby protecting the magnet and increasing cryogen efficiency. This novel design supports cryogenic MAS-DNP performance over an array of probes without altering DNP functionality. We present three MAS probes (two supporting 3.2 mm rotors and one supporting 9.5 mm rotors) interfacing with the single cryostat. Mechanical details, transmission line radio frequency design, and performance of the cryostat and three probes are described.

Feb 7, 2019

[NMR] Three PhD or Postdoc positions in NMR relaxation and DNP-NMR of polymers and complex fluids at TU Ilmenau, Germany

Employment opportunity

Within the group of Technical Physics II (Technische Physik II), the Technische Universität Ilmenau is offering up to

Three PhD student or postdoctoral positions
in 
Nuclear Magnetic Resonance of Polymers and Complex Fluids

Funded by the German Research Council DFG, we are continuing our research on polymer melts and solutions with an emphasis on new methods for polymer dynamics. Among other approaches, the project involves 1H and 2H relaxation dispersion investigations of isotopically diluted polymers with our two Stelar Fast Field Cycling (FFC) Relaxometers [Lozovoi et al., Macromolecules 51, 10055 (2018)]. Additional experiments will be carried out on a homebuilt Halbach magnet and commercial equipment (Bruker, Magritek). 

The second project involves application of the mentioned techniques to biomacromolecules, in particular to articular cartilage, with the aim of modelling molecular dynamics in biological tissue for which cartilage is a simple model system. Field-dependent relaxation times are well-known from medical MRI, but only empirically described in the literature; we want to establish a theoretical description of the frequency dependence as well as the width of relaxation times distributions in non-exponential signal decays [Petrov et al., Magn. Reson. Med., doi: 10.1002/mrm.27624 (2019)], and develop these findings into biomarkers for diseases such as osteoarthritis.

The third project focusses on the technical improvement or advanced application of DNP-FFC relaxometry studies. By combining DNP hardware with a FFC relaxometer, we have recently developed a novel platform to boost sensitivity and selectivity in complex fluids such as copolymers, porous media and multicomponent systems [Gizatullin et al., ChemPhysChem 18, 2347 (2017)], of which rocks and crude oil represent a naturally occurring example. Stable radicals are introduced and saturated by microwave irradiation, and subsequent magnetization transfer by either Overhauser or Solid Effect enhances the signal of nearby nuclei – including rare, insensitive and quadrupolar X nuclei – in the vicinity of the radical. Enhancement factors of several hundred have been achieved on our equipment. Depending on the skills and expertise of the candidate, the thesis can follow either a technical or an application focus.

We are seeking motivated individuals who are exploring applications of FFC and DNP-FFC within one of these projects. Requirements differ but typically involve sample preparation, modelling and potentially hardware or software development. Regular discussions and research stays with collaboration partners, mostly in Europe and USA, will be part of the project. This position requires skilled and enthusiastic persons, with an MSc degree in physics, chemistry or related disciplines, willing to work and actively participate in an international environment; a proven hands-on experience in ESR or NMR is a requirement, as are a strong background in NMR theory and programming skills.

The projects aim at obtaining a PhD level and are financed for an initial period of 3 years. The salary is according to the TV-L E13 scale of the German public sector (typically ¾ position depending on skills and experience). Under exceptional circumstances, a full salary postdoctoral position may be funded for a holder of a PhD title in one of these projects but with an initial contract period of 2 years. 

The Technische Universität Ilmenau aims to establish gender equality and strongly encourages applications by female candidates. Handicapped applicants with identical qualification will be considered with priority. Special services are available concerning all social matters. 

Please submit your application files (letter of application, complete CV, certificates, possibly references) preferably by February 28, 2019 to:

Prof. Siegfried Stapf, e-mail: siegfried.stapf@tu-ilmenau.de
_______________________________________________
Prof. Dr. Siegfried Stapf Technische Universität Ilmenau Fakultät für Mathematik und Naturwissenschaften FG Technische Physik II/Polymerphysik Postfach 100565 D-98684 Ilmenau Tel: +49 3677 69 3671 Fax: +49 3677 69 3770 

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Feb 6, 2019

Determination of binding affinities using hyperpolarized NMR with simultaneous 4-channel detection #DNPNMR

Kim, Yaewon, Mengxiao Liu, and Christian Hilty. “Determination of Binding Affinities Using Hyperpolarized NMR with Simultaneous 4-Channel Detection.” Journal of Magnetic Resonance 295 (October 2018): 80–86.


Dissolution dynamic nuclear polarization (D-DNP) is a powerful technique to improve NMR sensitivity by a factor of thousands. Combining D-DNP with NMR-based screening enables to mitigate solubility or availability problems of ligands and target proteins in drug discovery as it can lower the concentration requirements into the sub-micromolar range. One of the challenges that D-DNP assisted NMR screening methods face for broad application, however, is a reduced throughput due to additional procedures and time required to create hyperpolarization. These requirements result in a delay of several tens of minutes in-between each NMR measurement. To solve this problem, we have developed a simultaneous 4-channel detection method for hyperpolarized 19F NMR, which can increase throughput four-fold utilizing a purpose-built multiplexed NMR spectrometer and probe. With this system, the concentration-dependent binding interactions were observed for benzamidine and benzylamine with the serine protease trypsin. A T2 relaxation measurement of a hyperpolarized reporter ligand (TFBC; CF3C6H4CNHNH2), which competes for the same binding site on the trypsin with the other ligands, was used. The hyperpolarized TFBC was mixed with trypsin and the ligand of interest, and injected into four flow cells inside the NMR probe. Across the set of four channels, a concentration gradient was created. From the simultaneously acquired relaxation datasets, it was possible to determine the dissociation constant (KD) of benzamidine or benzylamine without the requirement for individually optimizing experimental conditions for different affinities. A simulation showed that this 4-channel detection method applied to D-DNP NMR extends the screenable KD range to up to three orders of magnitude in a single experiment.

Feb 4, 2019

Development of Millimeter Wave Fabry-Pérot Resonator for Simultaneous Electron-Spin and Nuclear Magnetic Resonance Measurement #DNPNMR

Ishikawa, Yuya, Kenta Ohya, Yutaka Fujii, Akira Fukuda, Shunsuke Miura, Seitaro Mitsudo, Hidetomo Yamamori, and Hikomitsu Kikuchi. “Development of Millimeter Wave Fabry-Pérot Resonator for Simultaneous Electron-Spin and Nuclear Magnetic Resonance Measurement.” Journal of Infrared, Millimeter, and Terahertz Waves 39, no. 4 (April 2018): 387–98.


We report a Fabry-Pérot resonator with spherical and flat mirrors to allow simultaneous electron-spin resonance (ESR) and nuclear magnetic resonance (NMR) measurements that could be used for double magnetic resonance (DoMR). In order to perform simultaneous ESR and NMR measurements, the flat mirror must reflect millimeter wavelength electromagnetic waves and the resonator must have a high Q value (Q > 3000) for ESR frequencies, while the mirror must simultaneously let NMR frequencies pass through. This requirement can be achieved by exploiting the difference of skin depth for the two frequencies, since skin depth is inversely proportional to the square root of the frequency. In consideration of the skin depth, the optimum conditions for conducting ESR and NMR using a gold thin film are explored by examining the relation between the Q value and the film thickness. A flat mirror with a gold thin film was fabricated by sputtering gold on an epoxy plate. We also installed a Helmholtz radio frequency coil for NMR and tested the system both at room and low temperatures with an optimally thick gold film. As a result, signals were obtained at 0.18 K for ESR and at 1.3 K for NMR. A flat-mirrored resonator with a thin gold film surface is an effective way to locate NMR coils closer to the sample being examined with DoMR.

[NMR] Solid-state NMR position @ University of Groningen (Netherlands) #ssNMR

Looking for: 

Solid-state NMR research technician (PhD/MSc)
University of Groningen, Zernike Institute for Advanced Materials
Van der Wel SSNMR group

— Deadline Feb. 14th — 

The Van der Wel solid-state NMR group at the University of Groningen (Netherlands) is looking for applicants with a background in NMR for a new research technician position in the lab. This position is funded by institutional support. The ideal candidate would have a MSc/PhD degree with a background in magic-angle-spinning solid-state NMR. However, we welcome applications by candidates with a strong background in NMR in general. Others with a potentially relevant expertise are encouraged to inquire (contact information below).

The group’s research focuses on the use of multidimensional magic-angle-spinning NMR in diverse contexts, with focal points being structural biology of protein misfolding diseases (including Huntington disease), membrane biophysics, and self-assembling bio-/nano-materials.

More background information about the lab and the research environment is on the group website: https://www.vanderwellab.org , and the institute/university website: https://www.rug.nl/research/zernike/

Potential applicants can find specific details about the position and application procedures (deadline Feb. 14th 2019) at the following URL:

Questions and inquiries should be sent to:
Patrick van der Wel – p.c.a.van.der.wel@rug.nl

--
Patrick C.A. van der Wel, Ph.D.
Associate Professor
Solid-state NMR spectroscopy group
Zernike Institute for Advanced Materials
University of Groningen
Nijenborgh 4
9747 AG Groningen
The Netherlands

phone: +31(0)50-3632683

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Feb 1, 2019

A non-synthetic approach to extending the lifetime of hyperpolarized molecules using D2O solvation

Cho, Andrew, Roozbeh Eskandari, Vesselin Z. Miloushev, and Kayvan R. Keshari. “A Non-Synthetic Approach to Extending the Lifetime of Hyperpolarized Molecules Using D2O Solvation.” Journal of Magnetic Resonance 295 (October 2018): 57–62.


Although dissolution dynamic nuclear polarization is a robust technique to significantly increase magnetic resonance signal, the short T1 relaxation time of most 13C-nuclei limits the timescale of hyperpolarized experiments. To address this issue, we have characterized a non-synthetic approach to extend the hyperpolarized lifetime of 13C-nuclei in close proximity to solvent-exchangeable protons. Protons exhibit stronger dipolar relaxation than deuterium, so dissolving these compounds in D2O to exchange labile protons with solvating deuterons results in longer-lived hyperpolarization of the 13C-nucleus 2-bonds away. 13C T1 and T2 times were longer in D2O versus H2O for all molecules in this study. This phenomenon can be utilized to improve hyperpolarized signal-to-noise ratio as a function of longer T1, and enhanced spectral and imaging resolution via longer T2.