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Minimizing the Perturbation of the Applied Magnetic Field by Optimizing Solid-State NMR Probe Structures
Jasmin Schoenzart – @SchoenzartJas
In this work we present ways to minimize the perturbation of the applied magnetic field by optimizing solid-state NMR probe structures. This is achieved by a combination of simulations and experiments, which take susceptibilities of all parts in the NMR probe into account to then study the net effect upon the sample. Based on those results, modifications to NMR probes can be made, to minimize unwanted contributions. The smaller the perturbation of the applied magnetic field, the narrower the observed possible linewidth and the higher the resolution of the experiment.
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Off-the-Shelf Gd(NO3)3 as an Efficient High-Spin Metal Ion Polarizing Agent for Magic Angle Spinning Dynamic Nuclear Polarisation
Daniel Cheney – @DanielCheney14
Paramagnetic metal ion complexes have been demonstrated as an alternative to traditionally-used biradical polarising agents for DNP, which are typically not commercially available. Based on this, we have introduced Gd(NO3)3 as an easily accessible and inexpensive “off-the-shelf” polarising agent, providing significant sensitivity enhancements for 13C and 15N.
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Nuclear Magnetic Resonance spectroscopy technique for Identification of Designer Drugs
Annwesha Mazumdar – @Annwesha9
It’s a challenging task to detect the metabolites of designer drugs in the body. NMR spectroscopy is one of the validating techniques for its utility of metabolic fingerprinting of various designer drugs and has opened a new horizon in forensics. This paper highlights the recent developments of Nuclear Magnetic Resonance spectroscopy applied for the Forensic identification of various designer drugs.
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Chemical Shift Imaging NMR for Probing Bacterial-Mammalian Crosstalk in the Human Large Intestine
Trey Koev – @TTKoev
Chemical shift imaging NMR allows us to exploit a naturally occurring gradient of commensal bacteria, mucosa and large intestinal colonocytes. Probing the metabolic crosstalk between bacteria and colonocytes in healthy and diseases (cancer) cell set-ups allows us to probe differences in the cell-cell communication on a molecular level, potentially enabling the development of novel treatment avenues for colorectal pathologies.
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Probing Multidimensional Metal Halides at the X-site using 79/81Br NMR, NQR, and DFT
Riley Hooper – @RileyHooper97
Metal halide materials offer optoelectronic tunability through compositional variation but feature complicated phase behaviour and dynamic properties, with the halide site being integral to such behaviour. We use bromine NMR, NQR, and DFT to study a series of cesium lead bromides and extend these insights to the analogous Cl/I materials.
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Improving XiX DNP with optimal control
Shebha Anandhi Jegadeesan – @AnandhiJ61993
We use quantum optimal control algorithm to improve XiX DNP. The optimized DNP sequences with initial pulse lengths of 12 and 20 ns gave enhancements 2.4 and 1.6 times greater than XiX DNP, respectively. The challenges and anomaly between the numerical simulations and experiments will be addressed in the poster.
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Solid-state NMR revealed peculiar phosphonate in velvet worm slime
Alexandre Poulhazan – @AlexPoulhazan
Velvet worms are fascinating animals that have a peculiar way to hunt. They eject a translucent liquid, the slime, that quickly forms sticky fibers trapping their preys. In addition to exciting recyclability of this natural glue, this slime has been characterized here by MAS-DNP and NMR, detecting unprecedented phosphonate-rich molecules.
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DNP in Multiradicals with Sub-Nanometer Electron-Electron Distances
Raj Chaklashiya – @RajChaklashiya
Multielectron Dynamic Nuclear Polarization (ME-DNP) is proposed to be a promising mechanism to achieve NMR signal enhancements due to its low microwave power requirement and scalability to high magnetic field. Here we explore experimentally and theoretically how to achieve this using a designed multielectron geometry of spatially proximal narrow-line radicals.
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Testing limits of homonuclear decoupling at fast MAS
Mrudula Nikam – @mrudula_nikam
Proton is a preferred nucleus for detection, due to its higher gyromagnetic ratio. 1H-1H dipolar couplings are very strong due to the same reason. It causes broad peaks and reduced coherence lifetimes, even under very fast MAS frequencies (>60 kHz). A combination of fast MAS and pulsed homonuclear decoupling sequences can extend 1H coherence times to values higher than those possible with only one of these techniques. However, it is unclear if these two techniques can be combined to give an additive effect, especially at these fast MAS frequencies. I will discuss Phase Modulated Lee-Goldburg (PMLG) and TIlted Magic-Echo Sandwich with zero degree sandwich pulse (TIMES0) schemes for 1H-1H homonuclear decoupling which we have used to enhance the coherence lifetimes of protons in a uniformly labelled model peptide using both windowed and non-windowed schemes. We will suggest regimes in which these sequences can be applied to extend 1H coherence times by a factor of 2-3 over MAS alone, making the use of sequences such as INEPT feasible in non-deuterated proteins.
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Investigation of Intrinsic Linewidths in NV-detected 13C NMR at 4.2 Tesla
Yuhang Ren – @yuhangre
The nitrogen-vacancy (NV) center in diamond has enabled widespread study of nanoscale NMR. We present a 13C NV-detected NMR at 4.2 Tesla and show that the method can capture the intrinsic NMR spectrum. This work demonstrates a clear path to high resolution NV-detected NMR at high magnetic fields.
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Design of a probe at 60MHz
Baudouin DILLMANN – @dillmann_bd
The development of low field NMR has led to significant advancements in scientific research. Frugale, although not low-cost, offers sufficient performance for various applications. These scientific instruments play a crucial role in physics education, providing hands-on experience. Moreover, they are indispensable for scientific progress, facilitating breakthroughs across diverse disciplines.
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Baseline Correction in NMR Spectroscopy
Ruoru Ma – @ruoruma
In NMR, the baseline distortion usually appears as a curve displaced from the ideal flat line at Zero intensity. Corrections of these distortions is a necessary step in NMR spectra data processing to ensure the peak assignment as well as concentration prediction. The automatic baseline distortion correction method was reviewed.
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