Monday, October 31, 2016

A compact X-Band resonator for DNP-enhanced Fast-Field-Cycling NMR #DNPNMR


Neudert, O., C. Mattea, and S. Stapf, A compact X-Band resonator for DNP-enhanced Fast-Field-Cycling NMR. J Magn Reson, 2016. 271: p. 7-14.


A new probehead was developed enabling Dynamic Nuclear Polarization (DNP)-enhanced Fast-Field-Cycling relaxometry at 340mT polarization field strength. It is based on a dielectric cavity resonator operating in the TM110 mode at 9.5GHz, which is suitable for both transverse and axial magnet geometries with a bore access of at least 20mm. The probehead includes a planar radio frequency coil for NMR detection and is compatible with standard 3mm NMR tubes. The resonator was assessed in terms of the microwave conversion factor and microwave-induced sample heating effects. Due to the compact size of the cavity, appreciable microwave magnetic field strengths were observed even with only moderate quality factors. Exemplary DNP experiments at 9.5GHz and 2.0GHz microwave frequency are compared for three different viscous samples, demonstrating the advantage of DNP at 9.5GHz for such systems. This new probehead enables new applications of DNP-enhanced Fast-Field-Cycling relaxometry of viscous and solid systems.

Sunday, October 30, 2016

Difference between Extra- and IntracellularT1Values of Carboxylic Acids Affects the Quantitative Analysis of Cellular Kinetics by Hyperpolarized NMR

[NMR] Summer school Theory of NMR at Schloss Windischleuba 19-25 Feb. 2017

From the Ampere Magnetic Resonance List



Summer school Theory of NMR at Schloss Windischleuba 19-25 Feb. 2017

Financed by the Volkswagen-Stiftung will be a summer school on the Theory of NMR at Youth hostel Schloss Windischleuba (40 km South of Leipzig) from Sun/19 (evening) to Sat/25 (morning) Feb. 2017. The school will focus on solid-state NMR. The subjects of the school will cover: basics of quantum mechanics, quantum mechanics for NMR, static solids, MAS, CPMAS, decoupling, recoupling, pulse techniques, AHT, Floquet, Quadrupolar nuclei, polymers, solid bio samples.

Teachers: Prof. Shimon Vega (Weizmann Institute of Science, Rechovot), Prof. Konstantin Ivanov (International Tomography Center, Novosibirsk), Prof. Madhu (TIFR Hyderabad), Prof. Kay Saalwächter (Univ. Halle-Wittenberg), Dr. Chen Song (Univ. Leipzig), Dr. Zdenek Tosner (TUM München).

Organizer: Prof. Jörg Matysik (Univ. Leipzig).


Participation and full accommodation will be free.
Transport will be partially supported.
Max number of students = 45.
Deadline for application = 9 Nov 2016.
Decision on participation within a month.
Participants are expected to stay the full period.

For application, please provide: (1) last name, (2) first name, (3) gender f/m, (4) e-mail, (5) country of laboratory, (6) head of laboratory, (7) food veg/nonveg/other, (8) arrival date, (9) departure date, (10) about three sentences describing your research project, (11) about three sentences on your motivation to participate, (12) any further information.

Please send your e-mail to: zeller@chemie.uni-leipzig.de.

****************************************************
Prof. Dr. Jörg Matysik
skype: joerg.matysik
****************************************************

Institut für Analytische Chemie
Universität Leipzig
Linnéstr. 3 (visit)
Johannisallee 29 (mail)
D-04103 Leipzig
Tel: +49-341-9736112 (direct)
Tel: +49-341-9736100 (Secr.)
Fax: +49-341-9736115

****************************************************

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Friday, October 28, 2016

[NMR] Postdoc in Levitt group on hyperpolarization

From the Ampere Magnetic Resonance List


A postdoc position (1 year, with possibility of extension) with the group of Malcolm Levitt in Southampton is open for applicants. The topic is dissolution DNP, quantum rotor induced polarization, and long-lived states. Details and the application link are here:


yours
Malcolm

------------------------------------
Malcolm Levitt
School of Chemistry
Room 27:2026
University of Southampton
Southampton SO17 1BJ
England.
tel. +44 23 8059 6753
fax: +44 23 8059 3781
iPhone: +44 77 7078 2024
*******************************************

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Long-lived states to sustain SABRE hyperpolarised magnetisation


Roy, S.S., et al., Long-lived states to sustain SABRE hyperpolarised magnetisation. Phys Chem Chem Phys, 2016. 18(36): p. 24905-24911.


The applicability of the magnetic resonance (MR) technique in the liquid phase is limited by poor sensitivity and short nuclear spin coherence times which are insufficient for many potential applications. Here we illustrate how it is possible to address both of these issues simultaneously by harnessing long-lived hyperpolarised spin states that are formed by adapting the Signal Amplification by Reversible Exchange (SABRE) technique. We achieve more than 4% net 1H-polarisation in a long-lived form that remains detectable for over ninety seconds by reference to proton pairs in the biologically important molecule nicotinamide and a pyrazine derivative whose in vivo imaging will offer a new route to probe disease in the future.

Wednesday, October 26, 2016

Dissolution Dynamic Nuclear Polarization capability study with fluid path


Malinowski, R.M., et al., Dissolution Dynamic Nuclear Polarization capability study with fluid path. J Magn Reson, 2016. 272: p. 141-146.


Signal enhancement by hyperpolarization is a way of overcoming the low sensitivity in magnetic resonance; MRI in particular. One of the most well-known methods, dissolution Dynamic Nuclear Polarization, has been used clinically in cancer patients. One way of ensuring a low bioburden of the hyperpolarized product is by use of a closed fluid path that constitutes a barrier to contamination. The fluid path can be filled with the pharmaceuticals, i.e. imaging agent and solvents, in a clean room, and then stored or immediately used at the polarizer. In this study, we present a method of filling the fluid path that allows it to be reused. The filling method has been investigated in terms of reproducibility at two extrema, high dose for patient use and low dose for rodent studies, using [1-13C]pyruvate as example. We demonstrate that the filling method allows high reproducibility of six quality control parameters with standard deviations 3-10 times smaller than the acceptance criteria intervals in clinical studies.

Tuesday, October 25, 2016

[NMR] Postdoctoral Fellow Position at Merck

From the Ampere Magnetic Resonance List


Dear colleagues,

We are looking for motivated candidates for an opening for NMR research of pharmaceuticals. It’s a great opportunity for anyone who would like to pursue a career in pharmaceutical industry. The position is available immediately, and interested candidates should send their CV’s to yongchao.su@merck.com AND finish the online application. The position is funded up to 3 years. Merck provides competitive annual salary and benefit for this full-time position. 


The lab has AVIII 400 MHz and 500 MHz solid-state NMR spectrometers fully equipped with probes including a 1.3 mm ultrafast spinning probe. We have frequent and convenient access to 600MHz and 700MHz solution NMR instruments. The proposed research will focus on development and application of advanced solid-state and solution NMR techniques in pharmaceutical systems including small molecule and peptide drugs and formulations. 

Can you please kindly forward to anyone who may be interested?

Thanks a lot!
Yongchao
-
Yongchao Su, Ph.D. Senior Scientist 
Merck Research Laboratories, MRLs | Merck & Co.
Phone: 215-652-0121 (office) | 3-3045 (NMR lab)
E-mail: yongchao.su@merck.com | West Point, PA

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[NMR] MR Imaging and Spectroscopy Research Staff Scientist position at the U.S. National High Magnetic Field Laboratory / University of Florida

From the Ampere Magnetic Resonance List


MR Imaging and Spectroscopy Research Staff Scientist
Advanced Magnetic Resonance Imaging and Spectroscopy Facility and National High Magnetic Field Laboratory

University of Florida

The Advanced Magnetic Resonance Imaging and Spectroscopy (AMRIS) Facility at UF seeks an MR imaging and spectroscopy scientist for the permanent research staff position of Core Research Facility Manager/Director for ≥ 11.74 Tesla vertical bore NMR/MRI instrumentation. Minimum qualifications include a Ph.D., or equivalent, in Physical Sciences or Engineering, with a demonstrated experience and expertise in techniques and applications of high field MR imaging and spectroscopy. Previous experience in pulse sequence design and implementation as well as data processing is needed. Experience working with live animals is desirable.

The successful candidate will be expected to work with the staff of the AMRIS Facility to maintain optimal instrument performance and standard protocols for imaging and spectroscopy to provide support for researchers at the University of Florida as well as external users through the NSF-funded National High Magnetic Field Laboratory (NHMFL) users program. This position offers unique opportunities to contribute to the development of the MR imaging and spectroscopy program in the AMRIS Facility and the NHMFL and to conduct independent and collaborative research projects. The position will be based in Gainesville, but will involve a close relationship with the NMR Spectroscopy and Imaging Program at the NHMFL in Tallahassee, so occasional travel to that site will be expected. Ongoing research in the Facility includes the application of MR imaging and spectroscopy to biological, biomedical, chemical, and material science research projects and the development of novel imaging and spectroscopy methods. Candidates with an interest in the development of novel methods and/or instrumentation are especially encouraged to apply.

As part of the MR imaging and spectroscopy capabilities, the AMRIS Facility houses the following state-of-the-art MRI/S and NMR systems: a 3 T Phillips Achieva, a 3 T Siemens Prisma, a 4.7 T bore Agilent VNMRS, a 5 T custom DNP polarizer, an 11 T 40 cm Bruker Biospec, an 11.7 5.4 cm Bruker Avance III, a 14.1 T 5.2 cm Bruker Avance III, a 14.1 T 5.4 cm Bruker Avance II, a 14.1 T 5.4 cm Agilent VNMRS and a 17.6 T 8.9 cm Bruker Avance III. A 21 T, 10.4 cm magnet with Bruker Avance system is housed at the NHMFL facility in Tallahassee. The successful candidate will be primarily responsible for MRI/S applications on the vertical bore magnet systems in the AMRIS Facility.

Specific job requirements:

  • Responsible for coordinating, scheduling and ensuring proper utilization of research facilities.
  • Recommend and implement operating policies and procedures in the AMRIS Facility.
  • Keep abreast of current developments and ensure compliance with relevant laws and regulations.
  • Plan and participate in research projects.
  • Help direct and modify research plans.
  • Develop methods and techniques for, and evaluates results of, experiments or studies.
  • Prepare and review manuscripts for publication and presentation at scientific meetings.
  • May serve as liaison between the AMRIS Facility and outside agencies and the general public.

For additional information on the position, please contact Dr. Joanna R. Long, jrlong@ufl.edu, or Dr. Thomas Mareci, thmareci@ufl.edu. The University of Florida is an Equal Opportunity/Access/Affirmative Action Employer. Applications will be accepted October 20-November 19 at http://explore.jobs.ufl.edu/cw/en-us/job/499229/core-research-facility-manager.

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Monday, October 24, 2016

Evidence of spin-temperature in dynamic nuclear polarization: an exact computation of the EPR spectrum #DNPNMR


Caracciolo, F., et al., Evidence of spin-temperature in dynamic nuclear polarization: an exact computation of the EPR spectrum. Phys Chem Chem Phys, 2016. 18(36): p. 25655-25662.


In dynamic nuclear polarization (DNP) experiments, the compound is driven out-of-equilibrium by the microwave (MW) irradiation of the radical electron spins. Their stationary state has been recently probed via electron double resonance (ELDOR) techniques showing, at low temperature, a broad depolarization of the electron paramagnetic resonance (EPR) spectrum under microwave irradiation. In this theoretical manuscript, we develop a numerical method to compute exactly the EPR spectrum in the presence of dipolar interactions. Our results reproduce the observed broad depolarisation and provide a microscopic justification for the spectral diffusion mechanism. We show the validity of the spin-temperature approach for typical radical concentration used in dissolution DNP protocols. In particular once the interactions are properly taken into account, the spin-temperature is consistent with the non-monotonic behavior of the EPR spectrum with a wide minimum around the irradiated frequency.

Friday, October 21, 2016

Finite element modeling of (129)Xe diffusive gas exchange NMR in the human alveoli


Stewart, N.J., J. Parra-Robles, and J.M. Wild, Finite element modeling of (129)Xe diffusive gas exchange NMR in the human alveoli. J Magn Reson, 2016. 271: p. 21-33.


Existing models of (129)Xe diffusive exchange for lung microstructural modeling with time-resolved MR spectroscopy data have considered analytical solutions to one-dimensional, homogeneous models of the lungs with specific assumptions about the alveolar geometry. In order to establish a model system for simulating the effects of physiologically-realistic changes in physical and microstructural parameters on (129)Xe exchange NMR, we have developed a 3D alveolar capillary model for finite element analysis. To account for the heterogeneity of the alveolar geometry across the lungs, we have derived realistic geometries for finite element analysis based on 2D histological samples and 3D micro-CT image volumes obtained from ex vivo biopsies of lung tissue from normal subjects and patients with interstitial lung disease. The 3D alveolar capillary model permits investigation of the impact of alveolar geometrical parameters and diffusion and perfusion coefficients on the in vivo measured (129)Xe CSSR signal response. The heterogeneity of alveolar microstructure that is accounted for in image-based models resulted in considerable alterations to the shape of the (129)Xe diffusive uptake curve when compared to 1D models. Our findings have important implications for the future design and optimization of (129)Xe MR experiments and in the interpretation of lung microstructural changes from this data.

Wednesday, October 19, 2016

Selective Protein Hyperpolarization in Cell Lysates Using Targeted Dynamic Nuclear Polarization #DNPNMR


Viennet, T., et al., Selective Protein Hyperpolarization in Cell Lysates Using Targeted Dynamic Nuclear Polarization. Angew Chem Int Ed Engl, 2016. 55(36): p. 10746-50.Viennet, T., et al., Selective Protein Hyperpolarization in Cell Lysates Using Targeted Dynamic Nuclear Polarization. Angew Chem Int Ed Engl, 2016. 55(36): p. 10746-50.


Nuclear magnetic resonance (NMR) spectroscopy has the intrinsic capabilities to investigate proteins in native environments. In general, however, NMR relies on non-natural protein purity and concentration to increase the desired signal over the background. We here report on the efficient and specific hyperpolarization of low amounts of a target protein in a large isotope-labeled background by combining dynamic nuclear polarization (DNP) and the selectivity of protein interactions. Using a biradical-labeled ligand, we were able to direct the hyperpolarization to the protein of interest, maintaining comparable signal enhancement with about 400-fold less radicals than conventionally used. We could selectively filter out our target protein directly from crude cell lysate obtained from only 8 mL of fully isotope-enriched cell culture. Our approach offers effective means to study proteins with atomic resolution in increasingly native concentrations and environments.

Monday, October 17, 2016

[NMR] Deadline 25 October: Two Research Fellow positions and one PhD studentship at University of Southampton #DNPNMR

From the Ampere Magnetic Resonance List





Dear Colleagues,

I have two open Reserach Fellow Positions and a fully funded PhD studentship in my group (http://www.southampton.ac.uk/chemistry/about/staff/pileio.page) at the University of Southampton.

* Post-Doctoral Research Fellowship in nuclear magnetic resonance in the research group of Dr Giuseppe Pileio, in collaboration with Prof Malcolm H Levitt. The project, funded by EPSRC(UK), concerns the development of NMR hardware and methodology that combines supercritical fluids with long-lived states NMR and dissolution-DNP to prolong the storage of hyperpolarised spin order and allow it to be transported remotely from the production site. The position is tenable from 1 December 2016 or as soon as possible thereafter with initial appointment for 2 years but with the possibility of a further extension of 1 more years, subject to project requirements. For further details and how to apply please follow this link: https://jobs.soton.ac.uk/Vacancy.aspx?ref=785816EB<https://jobs.soton.ac.uk/Vacancy.aspx?ref=785816EB>

* A 3 years PhD studentship is also available on the same project with application deadline 31 October 2016 and a salary of £14,296 per annum. For further details and how to apply please follow this link: https://jobs.soton.ac.uk/Vacancy.aspx?ref=782416EB . Please note that: due to funding restrictions this position is only open to UK/EU applicants

* Post-Doctoral Research Fellowship in nuclear magnetic resonance in the research group of Dr Giuseppe Pileio. The project, funded by EPSRC under the First Grant scheme, concerns the development of NMR methodology to probe translational dynamics in porous media by singlet-state NMR spectroscopy. The position is tenable from 1 November 2016 or as soon as possible thereafter with appointment for 1 year but with the possibility of a further extension of 1 more year, subject to funding and project requirements. For further details and how to apply please follow this link: https://jobs.soton.ac.uk/Vacancy.aspx?ref=785516EB

University of Southampton is a UK Russell Group university positioned in the top 1% of world universities according to QS World University Rankings. We have an international reputation for research, teaching and enterprise activities. Southampton is particularly well known for its magnetic resonance and computational chemistry research.

Many Thanks,
Dr. Giuseppe Pileio, PhD


Lecturer in Physical Chemistry,
Department of Chemistry,
Building 27 - Room 2059,
University of Southampton,
University Road, SO17 1BJ,
Internal Post Code: M16,
Southampton, Hampshire, UK.

Tel.: +44 (023) 80 59 4160
ORCID: 0000-0001-9223-3896

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Multidimensional solid-state NMR spectroscopy of plant cell walls #DNPNMR


Wang, T., P. Phyo, and M. Hong, Multidimensional solid-state NMR spectroscopy of plant cell walls. Solid State Nuclear Magnetic Resonance, 2016. 78: p. 56-63.


Plant biomass has become an important source of bio-renewable energy in modern society. The molecular structure of plant cell walls is difficult to characterize by most atomic-resolution techniques due to the insoluble and disordered nature of the cell wall. Solid-state NMR (SSNMR) spectroscopy is uniquely suited for studying native hydrated plant cell walls at the molecular level with chemical resolution. Significant progress has been made in the last five years to elucidate the molecular structures and interactions of cellulose and matrix polysaccharides in plant cell walls. These studies have focused on primary cell walls of growing plants in both the dicotyledonous and grass families, as represented by the model plants Arabidopsis thaliana, Brachypodium distachyon, and Zea mays. To date, these SSNMR results have shown that 1) cellulose, hemicellulose, and pectins form a single network in the primary cell wall; 2) in dicot cell walls, the protein expansin targets the hemicellulose-enriched region of the cellulose microfibril for its wall-loosening function; and 3) primary wall cellulose has polymorphic structures that are distinct from the microbial cellulose structures. This article summarizes these key findings, and points out future directions of investigation to advance our fundamental understanding of plant cell wall structure and function.

Friday, October 14, 2016

Renal MR angiography and perfusion in the pig using hyperpolarized water


Wigh Lipso, K., et al., Renal MR angiography and perfusion in the pig using hyperpolarized water. Magn Reson Med, 2016: p. n/a-n/a.


PURPOSE: To study hyperpolarized water as an angiography and perfusion tracer in a large animal model. METHODS: Protons dissolved in deuterium oxide (D2 O) were hyperpolarized in a SPINlab dissolution dynamic nuclear polarization (dDNP) polarizer and subsequently investigated in vivo in a pig model at 3 Tesla (T). Approximately 15 mL of hyperpolarized water was injected in the renal artery by hand over 4-5 s. RESULTS: A liquid state polarization of 5.3 +/- 0.9% of 3.8 M protons in 15 mL of deuterium oxide was achieved with a T1 of 24 +/- 1 s. This allowed injection through an arterial catheter into the renal artery and subsequently high-contrast imaging of the entire kidney parenchyma over several seconds. The dynamic images allow quantification of tissue perfusion, with a mean cortical perfusion of 504 +/- 123 mL/100 mL/min. CONCLUSION: Hyperpolarized water MR imaging was successfully demonstrated as a renal angiography and perfusion method. Quantitative perfusion maps of the kidney were obtained in agreement with literature and control experiments with gadolinium contrast. Magn Reson Med, 2016. (c) 2016 International Society for Magnetic Resonance in Medicine.

Thursday, October 13, 2016

[NMR] PhD Position, Biological Solid-state NMR, Univ. Leipzig

From the Ampere Magnetic Resonance List



PhD Position, Biological Solid-state NMR, Univ. Leipzig

In the group of Jörg Matysik (Analytical Chemistry, University of Leipzig) is a PhD position available in the field of light-induced effects in biological NMR/MRI. Candidates should have either background in magnetic resonance or in biological sample preparation. The interdisciplinary team is embedded in an international network. Applications of highly qualified candidates (cover letter, CV, statement of research interests and qualifications, copies of certificates and transcripts) should be sent to Prof. J. Matysik (joerg.matysik@uni-leipzig.de). Further information is available at https://analytik.chemie.uni-leipzig.de/start/ak-prof-matysik. Evaluation of applications will continue until the position is filled. The position will be for three years and payed according to TV-L E 13, 50 %.

****************************************************
Prof. Dr. Jörg Matysik
skype: joerg.matysik
****************************************************

Institut für Analytische Chemie
Universität Leipzig
Linnéstr. 3 (visit)
Johannisallee 29 (mail)

D-04103 Leipzig
Tel: +49-341-9736112 (direct)
Tel: +49-341-9736100 (Secr.)
Fax: +49-341-9736115

****************************************************

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Wednesday, October 12, 2016

A microwave resonator integrated on a polymer microfluidic chip



Kiss, S.Z., et al., A microwave resonator integrated on a polymer microfluidic chip. J. Magn. Reson., 2016. 270: p. 169-175.


We describe a novel stacked split-ring type microwave (MW) resonator that is integrated into a 10 mm by 10 mm sized microfluidic chip. A straightforward and scalable batch fabrication process renders the chip suitable for single-use applications. The resonator volume can be conveniently loaded with liquid sample via microfluidic channels patterned into the mid layer of the chip. The proposed MW resonator offers an alternative solution for compact in-field measurements, such as low-field magnetic resonance (MR) experiments requiring convenient sample exchange. A microstrip line was used to inductively couple MWs into the resonator. We characterised the proposed resonator topology by electromagnetic (EM) field simulations, a field perturbation method, as well as by return loss measurements. Electron paramagnetic resonance (EPR) spectra at X-band frequencies were recorded, revealing an electron-spin sensitivity of 3.7 · 10 11 spins · Hz - 1 / 2 G - 1 for a single EPR transition. Preliminary time-resolved EPR experiments on light-induced triplet states in pentacene were performed to estimate the MW conversion efficiency of the resonator.

Tuesday, October 11, 2016

[NMR] PhD position in Nijmegen - Solid State NMR #DNPNMR

From the Ampere Magnetic Resonance List



The Solid State NMR group in Nijmegen (Kentgens) is searching for a PhD: 

Supercritical chromatography hyphenated with hyperpolarized NMR

In our group we develop methods for high sensitivity on-chip NMR detection of mass-limited samples. This flow system allows flexible operation, including high pressures and supercritical solvents such as CO2. The main goal of the project is to develop and optimize a hyphenated setup combining supercritical chromatography with DNP-NMR to provide a fast analytical tool to study complex mixtures with superior information content. One of the advantages of supercritical solvents is the fact that fast mobility can lead to efficient liquid state (Overhauser) Dynamic Nuclear Polarization at relatively high magnetic fields. At present a Gyrotron mm-wave source operating at 395 GHz is available for this purpose, coupled to a 600 MHz NMR spectrometer and a 263 GHz EIO coupled to a 400 MHz NMR spectrometer to be developed further in this project.

The candidate has a MSc in Chemistry of Physics or a related discipline. 

We are looking for an enthusiastic candidate with a solid background in NMR and with an affinity for ‘out of the box’ methodology development.

The solid-state NMR group at Radboud University is part of the Institute for Materials and Molecules. The motto 'From Molecules to Materials' illustrates our focus on the design, synthesis and characterization of novel functional systems.

The general mission of the solid-state NMR group is to develop new methodology to optimize sensitivity and information content of NMR spectra and to apply these methods to target specific topics in functional molecular systems in terms of local structure and dynamics addressing structure/function relationships. We offer a stimulating and exciting international research environment with state of the art NMR spectrometers.

The advertised position is funded through NWO via the Top institute COAST (www.ti-coast.com). The COAST R&D program’s overall objective is to advance research, development and technical innovation in analytical science for the benefit of its application areas and science as a whole. In this project two academic groups and three industrial partners cooperate; the combination of academic groups specialising in NMR methodology developments (RU Nijmegen), separation methodology (UvA), and Bruker and Waters who are the dominating technology providers in the respective NMR and SFC fields, together with Shell as a potential end user of the technology makes a strong consortium to come up with a viable SFC-NMR approach.

For more information, visit the RU website for PhD's or send an email to Prof.dr. A.P.M. Kentgens.

-- 
Marian de With
Radboud University | Institute for Molecules and Materials
Secretary for depts. of Biophysical Chemistry and Solid State NMR
Tel. +31 24 3652678 

Visiting address:
Heyendaalseweg 135 | 6525 AJ Nijmegen | HG03.344
Postal address:
Postbox 9010 | Internal postbus 84 | 6500 GL Nijmegen 

Working hours: Monday 9-13, Thursday 9-13, Tuesday, Wednesday and Friday 9-17

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[NMR] Opening for a PhD Solid State NMR in Nijmegen #DNPNMR

From the Ampere Magnetic Resonance List


The Solid State NMR group in Nijmegen (Kentgens) has an opening for a PhD.

Project: MAS DNP-NMR for materials research

The main goal of the project is to optimize the DNP-NMR methodology for applications in materials science (e.g. Energy materials and polymers). A DNP-NMR setup has been assembled in our lab consisting of a Bruker gyrotron, operating at 395 GHz, a Revolution NMR probe head (Tycko-design), allowing fast low-temperature Magic-Angle Spinning, and a VNMRS 600 MHz NMR spectrometer. This setup can help to boost sensitivity to study particular low abundant species in materials such as surface sites, defects, polymer chain ends etc. There will be a particular emphasis on developing methodology for performing DNP-NMR of quadrupolar nuclei.

Combining this with micro-coil NMR an exquisite sensitivity for small sample volumes can be obtained. In addition it will be possible to generate ultra-high RF fields resulting in unprecedented resolution and excitation band widths in the solid state.

The candidate has a MSc in Chemistry or Physics or a related discipline.

We are looking for an enthusiastic candidate with a solid background in NMR and with an affinity for ‘out of the box’ methodology development.

The solid-state NMR group at Radboud University is part of the Institute for Materials and Molecules. The motto 'From Molecules to Materials' illustrates our focus on the design, synthesis and characterization of novel functional systems.

The general mission of the solid-state NMR group is to develop new methodology to optimize sensitivity and information content of solid-state NMR spectra and to apply these methods to target specific topics in materials research in terms of local structure and dynamics addressing structure/function relationships. We offer a stimulating and exciting international research environment with state of the art NMR spectrometers.

The advertised position is part of the Netherlands’ magnetic resonance research school (NMARRS). This is a joint educational and research initiative of four major centres for magnetic resonance research (RU, UU, UL, WU) forming one unified consortium. The school is crafted around the ultra-high field Nuclear Magnetic Resonance facility for the Netherlands (uNMR-NL) which is one of the best equipped NMR facilities in the world. Its flagship spectrometer is a 950 MHz system which will be upgraded to 1.2 GHz in the coming years.

For more information, send an e-mail to Prof.dr. A.P.M. Kentgens and/or have a look at the PhD information at the Radboud website.

-- 
Marian de With
Radboud University | Institute for Molecules and Materials
Secretary for depts. of Biophysical Chemistry and Solid State NMR
Tel. +31 24 3652678 

Visiting address:
Heyendaalseweg 135 | 6525 AJ Nijmegen | HG03.344
Postal address:
Postbox 9010 | Internal postbus 84 | 6500 GL Nijmegen 

Working hours: Monday 9-13, Thursday 9-13, Tuesday, Wednesday and Friday 9-17

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Friday, October 7, 2016

[NMR] PhD and Post-doctoral positions in MAS-NMR, Max-Planck Institute for Biophysical Chemistry, Göttingen

From the Ampere Magnetic Resonance List

Job details:

The Andreas group at Max-Planck Institute for Biophysical Chemistry in Göttingen, Germany, has started on August 1st and focusses on methods development and application in solid state NMR including ultrafast (111 kHz) magic-angle spinning. We are interested in the structure and function of biomolecules, with a focus on membrane proteins and related applications. We currently have open positions for postdoctoral fellows and PhD students to work on structural characterization of membrane proteins. The work will be supported by biochemical expertise through close collaboration with the departmental staff.

Requirements:

We are looking for highly motivated candidates with strong scientific background, independence and persistence in problem solving who enjoy teamwork. For postdoc positions, you must hold a PhD in structural biology, chemistry, biophysics or a related discipline, and your research experience should be demonstrated by peer-reviewed publications. Expertise in either solution- or solid-state NMR are required and experience with structure calculation and/or MD would be an advantage. A good level of English is required. For PhD applicants, a Masters degree in chemistry, physics, biochemistry or similar is required as well as an interest in NMR spectroscopy, including theory and application.

Workplace:

The Max-Planck Institute for Biophysical Chemistry is a leading institution for NMR-based structural biology with a long tradition for excellence in research. The solid-state-NMR equipment available is: 850 MHz WB, 800 MHz NB, 600 MHz WB with DNP, 400 MHz WB, and a shared 950 MHz NB with a comprehensive collection of probes including 3.2, 2.5 and 1.3 mm stators. The delivery of a 0.7 mm probe is expected at the end of 2016 and will enable development techniques for a new spinning regime of 111 kHz MAS. The solid-state setup is complemented by solution-NMR spectrometers: 400 MHz, 2x600 MHz, 2x700 MHz, 900 MHz, the shared 950 MHz and a 1.2 GHz instrument is coming when available from Bruker. The environment is further characterized by excellent biochemical facilities and close interaction with our neighboring X-ray, MD, EM, molecular biology etc. groups working in different areas of biology.

Göttingen is a mid-size, well-connected and very beautiful and historic student city (~30k students) in the center of Germany entirely set up for young people. It has lots of scenic and directly accessible countryside around it and a fast train (ICE) station which makes travelling easy.

How to apply:

Interested candidates should contact Dr. Loren Andreas directly at land@nmr.mpibpc.mpg.de. To apply please send 1) your CV with a complete list of publications, 2) briefly explain your interest in our laboratory and identify your most relevant research skills, and 3) contact details for two referees who can testify on your professional abilities. Applications will be considered as they are received and the call will be open until the positions are filled.


Dr. Loren Andreas
Solid-State NMR, Department of NMR-based Structural Biology,
Max-Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany.
Institute webpage: http://www.mpibpc.mpg.de/

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Hydration Dynamics of a Peripheral Membrane Protein #DNPNMR


Fisette, O., et al., Hydration Dynamics of a Peripheral Membrane Protein. J Am Chem Soc, 2016. 138(36): p. 11526-35.


Water dynamics in the hydration shell of the peripheral membrane protein annexin B12 were studied using MD simulations and Overhauser DNP-enhanced NMR. We show that retardation of water motions near phospholipid bilayers is extended by the presence of a membrane-bound protein, up to around 10 A above that protein. Near the membrane surface, electrostatic interactions with the lipid head groups strongly slow down water dynamics, whereas protein-induced water retardation is weaker and dominates only at distances beyond 10 A from the membrane surface. The results can be understood from a simple model based on additive contributions from the membrane and the protein to the activation free energy barriers of water diffusion next to the biomolecular surfaces. Furthermore, analysis of the intermolecular vibrations of the water network reveals that retarded water motions near the membrane shift the vibrational modes to higher frequencies, which we used to identify an entropy gradient from the membrane surface toward the bulk water. Our results have implications for processes that take place at lipid membrane surfaces, including molecular recognition, binding, and protein-protein interactions.

Wednesday, October 5, 2016

Separation of extra- and intracellular metabolites using hyperpolarized (13)C diffusion weighted MR


Koelsch, B.L., et al., Separation of extra- and intracellular metabolites using hyperpolarized (13)C diffusion weighted MR. J Magn Reson, 2016. 270: p. 115-23.


This work demonstrates the separation of extra- and intracellular components of glycolytic metabolites with diffusion weighted hyperpolarized (13)C magnetic resonance spectroscopy. Using b-values of up to 15,000smm(-2), a multi-exponential signal response was measured for hyperpolarized [1-(13)C] pyruvate and lactate. By fitting the fast and slow asymptotes of these curves, their extra- and intracellular weighted diffusion coefficients were determined in cells perfused in a MR compatible bioreactor. In addition to measuring intracellular weighted diffusion, extra- and intracellular weighted hyperpolarized (13)C metabolites pools are assessed in real-time, including their modulation with inhibition of monocarboxylate transporters. These studies demonstrate the ability to simultaneously assess membrane transport in addition to enzymatic activity with the use of diffusion weighted hyperpolarized (13)C MR. This technique could be an indispensible tool to evaluate the impact of microenvironment on the presence, aggressiveness and metastatic potential of a variety of cancers.

Monday, October 3, 2016

Molecular Rationale for Improved Dynamic Nuclear Polarization of Biomembranes #DNPNMR


Smith, A.N., et al., Molecular Rationale for Improved Dynamic Nuclear Polarization of Biomembranes. J Phys Chem B, 2016. 120(32): p. 7880-8.


Dynamic nuclear polarization (DNP) enhanced solid-state NMR can provide orders of magnitude in signal enhancement. One of the most important aspects of obtaining efficient DNP enhancements is the optimization of the paramagnetic polarization agents used. To date, the most utilized polarization agents are nitroxide biradicals. However, the efficiency of these polarization agents is diminished when used with samples other than small molecule model compounds. We recently demonstrated the effectiveness of nitroxide labeled lipids as polarization agents for lipids and a membrane embedded peptide. Here, we systematically characterize, via electron paramagnetic (EPR), the dynamics of and the dipolar couplings between nitroxide labeled lipids under conditions relevant to DNP applications. Complemented by DNP enhanced solid-state NMR measurements at 600 MHz/395 GHz, a molecular rationale for the efficiency of nitroxide labeled lipids as DNP polarization agents is developed. Specifically, optimal DNP enhancements are obtained when the nitroxide moiety is attached to the lipid choline headgroup and local nitroxide concentrations yield an average e(-)-e(-) dipolar coupling of 47 MHz. On the basis of these measurements, we propose a framework for development of DNP polarization agents optimal for membrane protein structure determination.