Mar 20, 2019

Experimental quantification of electron spectral-diffusion under static DNP conditions #DNPNMR

Kundu, Krishnendu, Marie Ramirez Cohen, Akiva Feintuch, Daniella Goldfarb, and Shimon Vega. “Experimental Quantification of Electron Spectral-Diffusion under Static DNP Conditions.” Physical Chemistry Chemical Physics 21, no. 1 (2019): 478–89.


Dynamic Nuclear Polarization (DNP) is an efficient technique for enhancing NMR signals by utilizing the large polarization of electron spins to polarize nuclei. The mechanistic details of the polarization transfer process involve the depolarization of the electrons resulting from microwave (MW) irradiation (saturation), as well as electron–electron cross-relaxation occurring during the DNP experiment. Recently, electron–electron double resonance (ELDOR) experiments have been performed under DNP conditions to map the depolarization profile along the EPR spectrum as a consequence of spectral diffusion. A phenomenological model referred to as the eSD model was developed earlier to describe the spectral diffusion process and thus reproduce the experimental results of electron depolarization. This model has recently been supported by quantum mechanical calculations on a small dipolar coupled electron spin system, experiencing dipolar interaction based cross-relaxation. In the present study, we performed a series of ELDOR measurements on a solid glassy solution of TEMPOL radicals in an effort to substantiate the eSD model and test its predictability in terms of electron depolarization profiles, in the steady-state and under non-equilibrium conditions. The crucial empirical parameter in this model is LeSD, which reflects the polarization exchange rate among the electron spins. Here, we explore further the physical basis of this parameter by analyzing the ELDOR spectra measured in the temperature range of 3–20 K and radical concentrations of 20–40 mM. Simulations using the eSD model were carried out to determine the dependence of LeSD on temperature and concentration. We found that for the samples studied, LeSD is temperature independent. It, however, increases with a power of B2.6 of the concentration of TEMPOL, which is proportional to the average electron–electron dipolar interaction strength in the sample.

PhDs & postdocs in MAS-DNP at CEA / Univ. Grenoble Alpes (France) Inbox x #DNPNMR

PhDs & postdocs in MAS-DNP at CEA / Univ. Grenoble Alpes (France)


Several positions (PhD / postdoc) will be available at CEA Grenoble / Univ. Grenoble Alpes in the field of solid-state NMR with Dynamic Nuclear Polarization, for a start within the next 6 months. Projects range from instrumentation and method developments to applications on biomolecules (cell walls, amyloid fibrils, protein-ligand interactions, etc.) and advanced materials (inorganic NCs, functional polymers, supercapacitors, etc.). Some of these projects involve collaborations with industrial partners.

In particular, we are currently welcoming applications for a PhD position aiming at developing the selective DNP (sel-DNP) approach, recently introduced in our group, which allows high-resolution studies of biomolecular binding sites. (see DOI 10.1039/C8SC05696J). Deadline for this application is April 15th.

More information about our group and a list of recent publications can be found here:http://www.dnpgrenoble.net/list-of-publications

Interested candidates are welcomed to send an email to: gael.depaepe@cea.fr.

Grenoble is one of the major cities in Europe for research with a large international scientific community. In addition, Grenoble has a large international student population, is a very pleasant city to live in, and is known as the “Capital of the Alps” with easy access to great skiing and hiking. It’s also only 2 hours’ drive to the Mediterranean Sea, Italy, or Switzerland. Grenoble, Lyon, and Geneva airports are nearby and permit straightforward international travel.

-- Dr Gaël De Paëpe -- DRF/INAC/MEM/RM INAC (CEA/Grenoble Alpes University) 17 Avenue des Martyrs Bâtiment 51C Office P.132a / Lab P.138 38054 Grenoble Cedex 9 - France email gael.depaepe@cea.fr voice (office) +33 4 38 78 65 70 voice (lab) +33 4 38 78 47 26 fax +33 4 38 78 50 90 

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Mar 19, 2019

DNP-enhanced NMR studies of cellular membrane disruption induced by Abeta40 peptides. #DNPNMR

DNP-enhanced NMR studies of cellular membrane disruption induced by Abeta40 peptides.

Supervisor: Dr Alexey Potapov

We are looking for a motivated PhD candidate interested in biophysical applications of magnetic resonance spectroscopy. This position is suitable for students with background in Physics, Chemistry or other related fields.

Aggregates of amyloid-beta peptides have been proposed to play role in causing Alzheimer's disease, however, their mechanism of action is not clearly understood. In this project, carried out in collaboration with SUNY Binghamton (USA), we focus on the process of cell membrane disruption by amyloid-beta and study its details using advanced nuclear magnetic resonance (NMR) techniques. One of such techniques is the dynamic nuclear polarization (DNP) allowing the NMR signals to be increased by a large factor. University of Nottingham is hosting a modern DNP-enhanced solid-state NMR Facility (unique in the UK) funded by a grant of £2.5 M from EPSRC.

The PhD studentship is available immediately, and is fully funded for 3.5 years via a stipend covering PhD tuition fees (at the UK/EU rate) and a tax-free living allowance.

The Sir Peter Mansfield Imaging Centre, which is part of the School of Physics and Astronomy of the University of Nottingham, is well equipped and conducts a very active research program in many aspects of modern magnetic resonance (http://www.nottingham.ac.uk/magres/index.aspx). For more details please contact Dr Alexey Potapov (alexey.potapov@nottingham.ac.uk)

Dr Alexey Potapov
Assistant Professor in Magnetic Resonance
Sir Peter Mansfield Imaging Center
School of Physics and Astronomy
University of Nottingham
Nottingham NG7 2RD United Kingdom
p: (44) 115 951 4739

This message and any attachment are intended solely for the addressee and may contain confidential information. If you have received this message in error, please contact the sender and delete the email and attachment. Any views or opinions expressed by the author of this email do not necessarily reflect the views of the University of Nottingham. Email communications with the University of Nottingham may be monitored where permitted by law. 

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PhD position in biomolecular solid-state NMR - Groningen, Netherlands


PhD position in Structural biology of Huntington’s disease using solid-state NMR

University of Groningen, Zernike Institute for Advanced Materials (Netherlands)
Van der Wel Solid-state NMR Group

We are looking to fill a PhD position for an exciting new project in our lab at the University of Groningen. This project is funded by a grant from the Netherlands’ Campagneteam Huntington – a community-driven effort to fund Huntington’s disease (HD) research in the Netherlands.

The researcher will use solid-state NMR and electron microscopy for molecular studies of the central protein misfolding event behind the neurodegenerative disease HD. Tailor-made solid-state NMR experiments will be used to provide an atomic view of the protein aggregates. For an integrated structure/toxic-function analysis, the project will include toxicity assays in human neuronal cells and aggregation modulation studies. The PhD researcher will perform the cellular assays with the group of Prof. Amalia Dolga, our close collaborator in the Groningen Research Institute of Pharmacy. The interdisciplinary studies are designed to yield a new understanding of this devastating disease, with likely implications for other neurodegenerative disorders associated with protein aggregation.

Recent HD research papers from the lab:
• Hoop et al. (2016) Huntingtin exon 1 fibrils feature an interdigitated β-hairpin–based polyglutamine core. PNAS 113(6):1546–51.

• Lin et al. (2017) Fibril polymorphism affects immobilized non-amyloid flanking domains of huntingtin exon1 rather than its polyglutamine core. Nat Commun. 8:15462.

• Smith et al. (2018) Structural fingerprinting of protein aggregates by dynamic nuclear polarization-enhanced solid-state NMR at natural isotopic abundance. J Am Chem Soc 140(44): 14576-14580.

The candidate is expected to have a Master’s degree (or potentially a BSc degree with demonstrable research experience*) in bio- or physical chemistry, (bio)physics or another field of science relevant for the position. Experience with NMR, and especially solid-state NMR, is an important consideration, but may not be essential (depending on the background of the candidate). Applicants with a background and interest in protein biophysics or protein aggregation are encouraged to apply.

For information or questions about the project, application procedure, and requirements, potential applicants should contact Dr Van der Wel at p.c.a.van.der.wel@rug.nl

Additional background information about the lab is also available on our website https://www.vanderwellab.org/


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Mar 18, 2019

Maximizing nuclear hyperpolarization in pulse cooling under MAS #DNPNMR

Björgvinsdóttir, Snædís, Brennan J. Walder, Nicolas Matthey, and Lyndon Emsley. “Maximizing Nuclear Hyperpolarization in Pulse Cooling under MAS.” Journal of Magnetic Resonance 300 (March 1, 2019): 142–48.


It has recently been shown how dynamic nuclear polarization can be used to hyperpolarize the bulk of proton-free solids. This is achieved by generating the polarization in a wetting phase, transferring it to nuclei near the surface and relaying it towards the bulk through homonuclear spin diffusion between weakly magnetic nuclei. Pulse cooling is a strategy to achieve this that uses a multiple contact cross-polarization sequence for bulk hyperpolarization. Here, we show how to maximize sensitivity using the pulse cooling method by experimentally optimizing pulse parameters and delays on a sample of powdered SnO2. To maximize sensitivity we introduce an approach where the magic angle spinning rate is modulated during the experiment: the CP contacts are carried out at a slow spin rate to benefit from faster spin diffusion, and the spin rate is then accelerated before detection to improve line narrowing. This method can improve the sensitivity of pulse cooling for 119Sn spectra of SnO2 by an additional factor of 3.5.

Mar 15, 2019

Time-optimized pulsed dynamic nuclear polarization #DNPNMR

Pulsed DNP experiments have been discussed in the literature for quite a while already. While several experiments have been proposed and conducted at low magnetic fields, where instrumentation is less demanding, this is the first example of pulsed DNP experiments performed at high magnetic fields.

Tan, Kong Ooi, Chen Yang, Ralph T Weber, Guinevere Mathies, and Robert G Griffin. “Time-Optimized Pulsed Dynamic Nuclear Polarization.” SCIENCE ADVANCES 5 (2019): 8. https://doi.org/10.1126/sciadv.aav6909

Pulsed dynamic nuclear polarization (DNP) techniques can accomplish electron-nuclear polarization transfer efficiently with an enhancement factor that is independent of the Zeeman field. However, they often require large Rabi frequencies and, therefore, high-power microwave irradiation. Here, we propose a new low-power DNP sequence for static samples that is composed of a train of microwave pulses of length τp spaced with delays d. A particularly robust DNP condition using a period τm = τp + d set to ~1.25 times the Larmor period τLarmor is investigated which is a time-optimized pulsed DNP sequence (TOP-DNP). At 0.35 T, we obtained an enhancement of ~200 using TOP-DNP compared to ~172 with nuclear spin orientation via electron spin locking (NOVEL), a commonly used pulsed DNP sequence, while using only ~7% microwave power required for NOVEL. Experimental data and simulations at higher fields suggest a field-independent enhancement factor, as predicted by the effective Hamiltonian.

Mar 14, 2019

Postdoc position in biomolecular solid-state NMR at Florida State University, Fl, USA


Postdoctoral Position

Structural Biology of Ribonucleoproteins using solid-state NMR

Silvers Laboratory, Florida State University, Tallahassee, Florida, USA

The Silvers lab at Florida State University has an opening for a postdoctoral position with experience in using solid-state NMR on peptides and proteins that is available immediately. The successful candidate will participate in projects combining a variety of biophysical methods including solid-state and solution NMR spectroscopy, cryoEM, and X-ray crystallography to investigate protein:RNA and protein:DNA interactions.

About the candidate:

This position requires a PhD in (bio)chemistry, (bio)physics, or a closely related field. Candidates should have a strong background in biomolecular solid-state NMR spectroscopy. Experience in other methods such as solution NMR spectroscopy, general biochemical and biophysical methods, recombinant production of proteins, as well as in vitro biosynthesis of DNA and RNA are of advantage. Furthermore, candidates should be interested in working in a highly interdisciplinary and collaborative environment.

About the location:

The position is located at the Department of Chemistry and Biochemistry at FSU with strong ties to the Institute of Molecular Biophysics and the National High Magnetic Field Laboratory. The Institute of Molecular Biophysics (IMB) is highly collaborative institute focused on structural biology research. The faculty at the IMB belongs to various departments and utilizes a plethora of structural biology tools including solid-state and solution NMR, X-ray crystallography, and cryo-EM, among others. The National High Magnetic Field Laboratory (NHMFL) is the largest and highest-powered magnet laboratory in the world. Every year, more than a thousand scientists from dozens of countries come to use our unique magnets with the support of highly experienced staff scientists and technicians. Several high-field magnets (600-900 MHz) equipped with solution state probes and solid-state probes spinning up to 110kHz are available.

About the position:

The position is initially for 1 year but can be extended to 2 years. Domestic and international candidates are encouraged to apply. Florida State University is an equal opportunity employer and educational provider committed to a policy of non-discrimination for any member of the University's community.

How to apply:

Apply online at https://jobs.fsu.edu. Go to “Browse Job Openings” and search for Job ID 44949 to apply. Please include a brief cover letter, a CV, and the contact information for three references. Applications will be considered until the position is filled. Any questions about the position should be directed at rsilvers@fsu.edu.

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Dr. Robert Silvers
Assistant Professor of Chemistry and Biochemistry
Institute of Molecular Biophysics
Department of Chemistry and Biochemistry
Florida State University

91 Chieftan Way
Tallahassee, FL 32306-4380

office phone: 850-645-9649

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Mar 13, 2019

Absolute 1H polarization measurement with a spin-correlated component of magnetization by hyperpolarized MAS-DNP solid-state NMR #DNPNMR

To my knowledge, this is one of the few methods that allows to measure the absolute polarization of a spin ensemble. Often the on/off signal ratio is used to characterize the efficiency of the DNP - a method that does not take depolarization effects into account. The method is related to the SPY-MR method to measure absolute spin polarization in dissolution DNP experiments.



Sugishita, Tomoaki, Yoh Matsuki, and Toshimichi Fujiwara. “Absolute 1H Polarization Measurement with a Spin-Correlated Component of Magnetization by Hyperpolarized MAS-DNP Solid-State NMR.” Solid State Nuclear Magnetic Resonance 99 (July 2019): 20–26. https://doi.org/10.1016/j.ssnmr.2019.02.001.

Sensitivity of magic-angle spinning (MAS) NMR spectroscopy has been dramatically improved by the advent of high-field dynamic nuclear polarization (DNP) technique and its rapid advances over the past decades. In this course, discussions on ways to improve the DNP enhancement factor or the overall sensitivity gain have been numerous, and led to a number of methodological and instrumental breakthroughs. Beyond the sensitivity gain, however, discussions on accurate quantification of the 1H polarization amplitude achievable in a sample with DNP have been relatively rare. Here, we propose a new method for quantifying the local 1H hyperpolarization amplitude, which is applicable to un-oriented/powdered solid samples under MAS NMR conditions. The method is based on the ability to observe the high-order spin-correlated term (2IzSz) intrinsic to a hyperpolarized I-S two-spin state, separately from the lowest-order Zeeman term (Sz) in quasi-equilibrium magnetization. The quantification procedure does not require evaluation of signal amplitudes for a “microwave-off” condition and for an un-doped reference sample, and thus enables quick and accurate quantification unaffected by the effects of the paramagnetic quenching and the MAS-induced depolarization. The method is also shown to elucidate spatial polarization distribution through the 2IzSz term prepared domain selectively. As a potential application, we also demonstrate 2D DQ-SQ spectroscopy utilizing the 2IzSz term that is generated in a spatially selective manner without using I-S dipolar or J coupling. These salient features may be evolved into a way for characterizing mesoscopic molecular assemblies of medical/biological importance.

Mar 9, 2019

Registration is open for the Alpine conference on Magnetic Resonance in Solids 2019


Dear Colleagues,

Registration and abstract submission for the Alpine Conference on Magnetic Resonance in Solids 2019 are now open!

The conference will take place in Chamonix Mont-Blanc, France, from the 15th to the 19th September 2019. The scientific committee is composed of Lucio Frydman (Weizmann Institute), Arno Kentgens (Radboud University) and Tatyana Polenova (University of Delaware).

The program of the conference will consist of plenary lectures, contributed oral communications, and round table sessions. Round table sessions will provide opportunities for discussions in small groups following a short pitch talk on contributed work. A new perspective session will provide personal views on selected topics and questions of the field. A number of social events are planned to further liven up the conference.

The following speakers will give plenary lectures: Vipin Agarwal (TIFR Hyderabad), Greg Boebinger (National High Magnetic Field Laboratory), Brad Chmelka (UC Santa Barbara), Alexej Jerschow (New York University), Anne Lesage (CRMN Lyon), Ann McDermott (Columbia University), Thomas Prisner (Goethe University Frankfurt), Bernd Reif (Technical University of Munich), Melanie Rosay (Bruker Biospin).

A number of student grants are available. Applications for student grants must be submitted before April 26th.

The deadline for registration and abstract submission is May 31st, 2019. Register early, since the number of places available at the conference is limited. 

Visit our website for more details on registration and abstract submission: http://www.alpine-conference.org.

Looking forward to seeing you in Chamonix!

The organizing committee
Jean-Nicolas Dumez (CNRS, Université de Nantes)
Michal Leskes (Weizmann Institute)
Józef Lewandowski (University of Warwick)
Charlotte Martineau-Corcos (Université de Versailles, CNRS Orléans)
Paul Schanda (Institut de Biologie Structurale)

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acancy Magnetic Resonance Research Center Nijmegen: Assistant professor in Solid-State NMR Spectroscopy (Tenure Track)



Molecules - Special Issue “Hyperpolarized Molecules for Applications in Chemistry and Biomedicine”

Dear Colleagues,

I am pleased to announce that the journal Molecules (ISSN 1420-3049, IF 3.098) is currently running an NMR-related special issue entitled "Hyperpolarized Molecules for Applications in Chemistry and Biomedicine". Molecules is fully open access and is a partner of the Swiss Chemical Society. Open access is supported by the authors and their institutes, and an Article Processing Charge (APC) of 1800 CHF applies to accepted papers. 

We welcome you to submit abstracts before 31 July 2019. Given the fast development of hyperpolarization technology, I was able to negotiate with the journal the following discounts to papers: two 50% discounts, three 30% discounts, and five 20% discounts.

For more information about the Special Issue, please see: https://www.mdpi.com/journal/molecules/special_issues/hyperpolarized_molecules

The final due date for the contribution will be 31 August 2019, and manuscripts can be submitted from now until the deadline.

We look forward to hearing from you soon.

Warm regards,
Danila Barskiy

---
Danila A. Barskiy, PhD
Postdoctoral Scholar
Pines Lab
University of California, Berkeley
QB3 Chemistry Department
227B Stanley Hall
Berkeley, CA 94720-3220

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Mar 8, 2019

In-Cell NMR: Analysis of Protein–Small Molecule Interactions, Metabolic Processes, and Protein Phosphorylation

Kumar, Amit, Lars Kuhn, and Jochen Balbach. “In-Cell NMR: Analysis of Protein–Small Molecule Interactions, Metabolic Processes, and Protein Phosphorylation.” International Journal of Molecular Sciences 20, no. 2 (January 17, 2019): 378.


Nuclear magnetic resonance (NMR) spectroscopy enables the non-invasive observation of biochemical processes, in living cells, at comparably high spectral and temporal resolution. Preferably, means of increasing the detection limit of this powerful analytical method need to be applied when observing cellular processes under physiological conditions, due to the low sensitivity inherent to the technique. In this review, a brief introduction to in-cell NMR, protein–small molecule interactions, posttranslational phosphorylation, and hyperpolarization NMR methods, used for the study of metabolites in cellulo, are presented. Recent examples of method development in all three fields are conceptually highlighted, and an outlook into future perspectives of this emerging area of NMR research is given.

Mar 6, 2019

Invited Review Article: Instrumentation for nuclear magnetic resonance in zero and ultralow magnetic field

Tayler, Michael C. D., Thomas Theis, Tobias F. Sjolander, John W. Blanchard, Arne Kentner, Szymon Pustelny, Alexander Pines, and Dmitry Budker. “Invited Review Article: Instrumentation for Nuclear Magnetic Resonance in Zero and Ultralow Magnetic Field.” Review of Scientific Instruments 88, no. 9 (September 2017): 091101.


We review experimental techniques in our laboratory for nuclear magnetic resonance (NMR) in zero and ultralow magnetic field (below 0.1 T) where detection is based on a low-cost, non-cryogenic,  spin-exchange relaxation free 87Rb atomic magnetometer. The typical sensitivity is 20-30 fT/Hz1/2 for signal frequencies below 1 kHz and NMR linewidths range from Hz all the way down to tens of mHz. These features enable precision measurements of chemically informative nuclear spin-spin couplings as well as nuclear spin precession in ultralow magnetic fields.

Mar 4, 2019

Hyperpolarized MAS NMR of unfolded and misfolded proteins #DNPNMR

König, Anna, Daniel Schölzel, Boran Uluca, Thibault Viennet, Ümit Akbey, and Henrike Heise. “Hyperpolarized MAS NMR of Unfolded and Misfolded Proteins.” Solid State Nuclear Magnetic Resonance 98 (April 2019): 1–11.


In this article we give an overview over the use of DNP-enhanced solid-state NMR spectroscopy for the investigation of unfolded, disordered and misfolded proteins. We first provide an overview over studies in which DNP spectroscopy has successfully been applied for the structural investigation of well-folded amyloid fibrils formed by short peptides as well as full-length proteins. Sample cooling to cryogenic temperatures often leads to severe linebroadening of resonance signals and thus a loss in resolution. However, inhomogeneous linebroadening at low temperatures provides valuable information about residual dynamics and flexibility in proteins, and, in combination with appropriate selective isotope labeling techniques, inhomogeneous line-widths in disordered proteins or protein regions may be exploited for evaluation of conformational ensembles. In the last paragraph we highlight some recent studies where DNP-enhanced MAS-NMR-spectroscopy was applied to the study of disordered proteins/protein regions and inhomogeneous sample preparations.

Mar 1, 2019

Proton relaxometry of long-lived spin order

Kiryutin, Alexey S., Mikhail S. Panov, Alexandra V. Yurkovskaya, Konstantin L. Ivanov, and Geoffrey Bodenhausen. “Proton Relaxometry of Long-Lived Spin Order.” ChemPhysChem, January 2, 2019.


A study of long-lived spin order in chlorothiophene carboxylates at both high and low magnetic fields is described. Careful sample preparation (removal of dissolved oxygen in solution, chelating of paramagnetic impurities, reduction of convection) allows one to obtain very long-lived singlet order of the two coupled protons in chlorothiophene derivatives, having lifetimes TLLS of about 130 s in D2O and 240 s in deuterated methanol, which are much longer than the T1-relaxation times (18 and 30 s, respectively, at a field B0 = 9.4 T). In protonated solvents the relaxation times become shorter, but TLLS is still substantially longer than T1 . In addition, long-lived coherences are shown to have lifetimes TLLS as long as 30 s. Thiophene derivatives can be used as molecular tags to study slow transport, slow dynamics and slow chemical processes, as some of us have shown in recent years.

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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