Oct 19, 2020

Electrochemical Overhauser dynamic nuclear polarization #DNPNMR #ODNP

Tamski, Mika, Jonas Milani, Christophe Roussel, and Jean-Philippe Ansermet. “Electrochemical Overhauser Dynamic Nuclear Polarization.” Physical Chemistry Chemical Physics 22, no. 32 (2020): 17769–76.


Nuclear Magnetic Resonance (NMR) spectroscopy suffers from low sensitivity due to the low nuclear spin polarization obtained within practically achievable external magnetic fields. Dynamic Nuclear Polarization (DNP) refers to the techniques that increases NMR signal intensity by transferring spin polarization from electrons to the nuclei.

Oct 18, 2020

[NMR] Post Doc position at UCLA #DNPNMR

A Post Doc position is available at UCLA in our lab. There are two projects: (1) Development of 15N PHIP technology for biomedical imaging. (Skills: hyperpolarization, chemistry/synthesis, biomedical.) Project is a collaboration with groups at Cedars-Sinai Medical Center and DGSOM (David Geffen school of medicine). (2) Development of gas-phase NMR/MRI methods for the study of memory effects in restricted diffusion geometries. (Skills: gas kinetics/theory, pulse sequence development, hardware/fab.) Post Doc could work on one or both projects depending on skill set. Send inquiries/applications to: bouchard@chem.ucla.edu


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Oct 16, 2020

Materials chemistry of triplet dynamic nuclear polarization #DNPNMR

Nishimura, Koki, Hironori Kouno, Yusuke Kawashima, Kana Orihashi, Saiya Fujiwara, Kenichiro Tateishi, Tomohiro Uesaka, Nobuo Kimizuka, and Nobuhiro Yanai. “Materials Chemistry of Triplet Dynamic Nuclear Polarization.” Chemical Communications 56, no. 53 (2020): 7217–32.



This Feature Article overviews the recently-emerged materials chemistry of triplet dynamic nuclear polarization (triplet-DNP) towards biological and medical applications.

Dynamic nuclear polarization with photo-excited triplet electrons (triplet-DNP) has the potential to enhance the sensitivity of nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) at a moderate temperature. While many efforts have been devoted to achieving a large nuclear polarization based on triplet-DNP, the application of triplet-DNP has been limited to nuclear physics experiments. The recent introduction of materials chemistry into the field of triplet-DNP has achieved air-stable and water-soluble polarizing agents as well as the hyperpolarization of nanomaterials with a large surface area such as nanoporous metal–organic frameworks (MOFs) and nanocrystal dispersion in water. This Feature Article overviews the recently-emerged materials chemistry of triplet-DNP that paves new paths towards unprecedented biological and medical applications.

Oct 14, 2020

Water-soluble BDPA radicals with improved persistence #DNPNMR

Mandal, Sucharita, and Snorri Th. Sigurdsson. “Water-Soluble BDPA Radicals with Improved Persistence.” Chemical Communications, 2020, 10.1039.D0CC04920D. 

https://doi.org/10.1039/D0CC04920D.

1,3-Bis(diphenylene)-2-phenylallyl (BDPA) radicals are promising polarizing agents for increasing the sensitivity of NMR spectroscopy through dynamic nuclear polarization (DNP), but have low persistence and solubility in aqueous media. New tetraalkyl/aryl-ammonium derivatives of BDPA are soluble in polar solvents and are highly persistent, with 5–20-fold lower initial rates of degradation than BDPA.

Oct 12, 2020

Hyperpolarization of Nitrile Compounds Using Signal Amplification by Reversible Exchange

Kim, Sarah, Sein Min, Heelim Chae, Hye Jin Jeong, Sung Keon Namgoong, Sangwon Oh, and Keunhong Jeong. “Hyperpolarization of Nitrile Compounds Using Signal Amplification by Reversible Exchange.” Molecules 25, no. 15 (July 23, 2020): 3347.

Signal Amplification by Reversible Exchange (SABRE), a hyperpolarization technique, has been harnessed as a powerful tool to achieve useful hyperpolarized materials by polarization transfer from parahydrogen. In this study, we systemically applied SABRE to a series of nitrile compounds, which have been rarely investigated. By performing SABRE in various magnetic fields and concentrations on nitrile compounds, we unveiled its hyperpolarization properties to maximize the spin polarization and its transfer to the next spins. Through this sequential study, we obtained a ~130-fold enhancement for several nitrile compounds, which is the highest number ever reported for the nitrile compounds. Our study revealed that the spin polarization on hydrogens decreases with longer distances from the nitrile group, and its maximum polarization is found to be approximately 70 G with 5 µL of substrates in all structures. Interestingly, more branched structures in the ligand showed less effective polarization transfer mechanisms than the structural isomers of butyronitrile and isobutyronitrile. These first systematic SABRE studies on a series of nitrile compounds will provide new opportunities for further research on the hyperpolarization of various useful nitrile materials.

Oct 9, 2020

Analysis of 1-aminoisoquinoline using the signal amplification by reversible exchange hyperpolarization technique #SABRE

Jeong, Hye Jin, Sein Min, and Keunhong Jeong. “Analysis of 1-Aminoisoquinoline Using the Signal Amplification by Reversible Exchange Hyperpolarization Technique.” The Analyst, 2020, 10.1039.D0AN00967A.


Signal amplification by reversible exchange (SABRE), a parahydrogen-based hyperpolarization technique, is valuable in detecting low concentrations of chemical compounds, which facilitates the understanding of their functions at molecular level as well as their applicability in nuclear magnetic resonance (NMR) and magentic resource maging (MRI). SABRE of 1- aminoisoquinoline (1-AIQ) is significant because isoquinoline derivatives are the fundamental structures in compounds with notable biological activity and are basic organic building blocks. Through this study, we explain how SABRE is applied to hyperpolarize 1-AIQ for diverse solvent systems such as deuterium and non-deuterium solvents. We observed the amplification of individual protons of 1-AIQ at various magnetic fields. Further, we describe the polarization transfer mechanism of 1-AIQ compared to pyridine using density functional theory (DFT) calculations. These hyperpolarization techniques, including the polarization transfer mechanism investigation on 1-AIQ, will provide a firm basis for the future application of the hyperpolarization study on various bio-friendly materials.

Oct 7, 2020

Basics of EPR for NMR spectroscopists

Dear NMR Enthusiast,

The 16th Global NMR Educational Tutorial will be given by Nino Wili, PhD student in Prof. Gunnar Jeschke's lab at ETH Zurich, Switzerland, on the topic:

"Basics of EPR for NMR spectroscopists”.

Abstract: 
In this tutorial lecture, I will describe similarities and differences between NMR and EPR. Continuous-wave EPR will be introduced, as well as basic pulse sequences for hyperfine spectroscopy (ESEEM, ENDOR, ELDOR-detected NMR) and pulsed dipolar spectroscopy (DEER, RIDME, DQC). I will assume previous knowledge about the Bloch equations, the spin Hamiltonian description, product operator formalism, and anisotropic interactions. Examples will focus on molecular systems in chemistry and biology.

Speaker's biography:
2016: MSc, ETH Zurich (Prof. Matthias Ernst)
2017-present: PhD, ETH Zurich (Prof. Gunnar Jeschke)

Webinar details:
Time: Tuesday, October 13, 2020, 08:00 AM California or 11:00 am Boston or 5:00 PM Paris or 8:30 PM Delhi

Meeting ID: 924 8049 6788

Best regards,
Global NMR Discussion Meetings


[Organizers:
Adrian Draney (Guido Pintacuda Lab, CRMN lyon)
Amrit Venkatesh (Aaron Rossini Lab, Iowa State Uni)
Asif Equbal (Songi Han Lab, UCSB)
Blake Wilson (Robert Tycko Lab, NIH)
Michael Hope (Lyndon Emsley Lab, EPFL)
PinelopiMoutzouri (Lyndon Emsley Lab, EPFL) ]
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