Imaging

  • Improved 2D-HMQC Spectroscopy Through Perfect Echo Refocusing and ASAP Polarization Transfer

    Nidhi Tiwari (Centre of Biomedical Research, India)

    LinkedIn: Nidhi Tiwari, X: @TiwariNidhi05

    Abstract: The speed of multidimensional NMR spectroscopy can be increased by an order of magnitude by shortening the recycle delay between scans. The consequent loss of longitudinal magnetization due to incomplete relaxation can be retrieved if undisturbed polarization is transferred from nearby proton spins not directly attached to 13C. In ASAP (Acceleration by Sharing Adjacent Polarization) HMQC, an ASAP block based on homonuclear Hartmann-Hahn mixing is incorporated, which consistently provides higher signal enhancement under identical total preparation time by transferring polarization from 12C attached (donor) protons to 13C attached (acceptor) protons, leading to repeated revival of detectable magnetization during short recovery delays.[1] Later on, this ASAP mechanism was also demonstrated to be useful for HSQC and NOAH (NMR by Ordered Acquisition using 1H detection); however, in HSQC, further improvement was achieved using the ZIP element, which overcomes the JHH (homonuclear ¹H-¹H J-evolution) modulation of the remote proton transverse magnetization by storing it before the start of the t1 evolution.
    Recently, we have been addressing this JHH modulation in the HMQC class of experiments by combining the concept of ASAP and Perfect Echo-based refocusing of JHH in HMQC. This Perfect Echo-based ASAP-HMQC offers performance similar to that of ASAP-HSQC and better than that of only ASAP-HMQC.
    Comparative analysis of ASAP-HMQC, ASAP-HSQC, and Perfect Echo ASAP-HMQC will be presented in the work.

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  • Accelerated Drug Discovery Using 19F-MRI

    Dilara Faderl (KIT, Germany)

    Abstract: Magnetic resonance imaging (MRI) combines the principles of nuclear magnetic resonance (NMR) with spatial encoding, enabling the spatially resolved detection of molecular interactions across diverse physical and chemical environments. In particular, MRI can encode contrast based on nuclear relaxation properties (transverse and longitudinal relaxation), making it a versatile tool for studying molecular processes. However, extracting such information is inherently associated with long acquisition times, as repeated signal averaging and additional phase-encoding steps are often required. Therefore, parallelization and miniaturization are essential for improving efficiency in both data acquisition and sample handling.

    In this work, we exploited ^19F MRI for high-throughput ligand screening. ^19F MRI offers unique advantages because fluorine nuclei provide intrinsic chemical selectivity and negligible biological background, enabling direct spatial mapping of fluorinated reporter ligands without the need for additional spectroscopic encoding. By combining sample parallelization with compressed sensing and paramagnetic enhancement strategies, we screened 61 non-fluorinated samples within a total measurement time of 55 minutes, corresponding to only 54 seconds per sample. This approach accelerated ligand screening compared to conventional NMR methods, reducing the acquisition time from approximately 20 hours to 1 hour. In addition to high-throughput sample analysis, the method provides a quantitative approach for determining the binding strength of unknown drug candidates.

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  • Polyelectrolyte Hydrogels for Water Desalination Examined via Sodium NMR Spectroscopy

    Huijing Zou (New York University, United States)

    LinkedIn: @Huijing Zou

    Abstract: Hydrogel desalination is a recently developed method for removing salt from water. Its mechanism is based on the electrostatic imbalance between the fixed charge groups in the polyelectrolyte hydrogels and the surrounding solution. Combining polyelectrolyte hydrogels with thermoresponsive materials enables a temperature-driven swelling and shrinking cycle, which provides a more energy-efficient way to extract desalinated water from hydrogels by using solar energy. In this study, the interactions between salt ions and sodium polyacrylate hydrogels in NaCl solution were analyzed using NMR spectroscopy. The Na+ ion distribution was characterized by 23Na NMR imaging. The relaxation rates of Na+ in the supernatant and hydrogel phase were measured from 298 K to 318 K. The hydrogels in multi-salt environments were measured under two conditions: one with controlled concentrations of each type of salt, and another with controlled total ionic strength. Furthermore, multiple quantum filtered NMR was applied to analyze quadrupolar interactions between Na+ ions and hydrogels. Current state-of-the-art analyses for studying the ionic flux are based on conductivity measurements. The use of sodium NMR spectroscopy and imaging provides much deeper insights into the salt-rejection mechanisms. The results from this study provide valuable insights for the design of hydrogel structures and the improvement of desalination performance.

    1. Jonas Koppe Avatar
      Jonas Koppe

      Thank you for the presentation. Can the amount of Na+ ions in the supernatant quantified by both imaging and relaxation analysis? If so, do the results agree?

      1. Huijing Zou Avatar
        Huijing Zou

        Hi Jonas, thank you for your comment!
        The Na+ ions in the supernatant can be quantified by NMR imaging by using a reference sample (NaCl solution only). We can compare the integrals to estimate the amount of Na+ ions within the detection region. The integral ratio (with half-tube hydrogels: without hydrogels) is 2.51 for 1dzg, and 2.72 for 1d imaging. The relaxation analysis help us understand the Na+ ion mobility. When comparing relaxation rates under different conditions (temperature, multi-salt…), we can get a rough view on how different conditions affect the bound Na+ and free Na+ ions.
        Hope this answers your question.

    2. Blake Wilson Avatar
      Blake Wilson

      Hi Huijing, thank you for the presentation. What is the spatial resolution of your imaging measurements, and what is the size of the average piece of hydrogel?

      1. Huijing Zou Avatar
        Huijing Zou

        Hi Blake, thank you for your comment!
        The 1D imaging is done on Bruker AVIII 400 MHz, and has TD=512 and swh=39682.5 Hz, spatial resolution is 152.3 μm. In fact, I haven’t done much measurement on the size of hydrogels and I assume you mean the dried hydrogels, most dried hydrogels I added has a length within 3 mm.
        Hope this answers your question!

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  • Neurotopographical Transformations: Dissecting Cortical Reconfigurations in Auditory Deprivation

    Kalpana Dhanik – @kalpanadhanik

    This groundbreaking study reveals that people who are born deaf having unique brain strengths. Using advanced MRI to study cortical morphology, we found remarkable neuroplasticity. These findings highlights the brain incredible ability to adjust and open doors for better education and therapy for the deaf community.

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  • Homemade tabletop MR microscopy

    Ryo Yashiro – @yashiro_ld

    This presentation will describe the development of a home-made MR microscope. This MR microscope is currently under development and you can check the development and assembly process in the following tag(#HomeMadeMRI). Stay tuned!

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  • Imaging local diffusion in microstructures using NV-based pulsed field gradient NMR

    Robin D. Allert – @robinallert

    Understanding diffusion in microstructures is crucial in many scientific fields. Here, we introduce nitrogen-vacancy (NV) center-based nuclear magnetic resonance (NMR) spectroscopy as a powerful tool to probe diffusion. We combined pulsed gradient spin echo (PGSE) with NV-NMR spectroscopy, allowing local quantification of the anisotropic molecular diffusion and flow within microstructures.

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  • Imaging and spectroscopic applications in cancer research

    Madhu Basetti – @mbasetti

    We are an imaging core group working in cancer research with preclinical imaging modalities for early detection and prognosis of cancer.

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  • Graphite based composites for Photocatalytic Water Splitting

    Mummidivarapu Varkrishna – @VarkrishnaM

    The concept of photocatalytic water splitting is revolutionary however the applications aren’t so feasible to scale up. This research area has largely been dominated by the inorganic materials.However, organic ones are included every now and then. But the extent is less. The exploration and preparation of composites more based on the organic substances whereas the inorganic ones can be always supporting is a huge ocean of possibilities. And NMR is quite a powerful technique to explore it!

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  • Hyperpolarising Nitrogen

    Callum Gater – @CallumGater1

    In this work we show how the polarisation potential of parahydrogen can be realised by Signal Amplification By Reversible Exchange (SABRE) to hyperpolarise 15N for use in reaction monitoring, 15N DOSY and routes towards hyperpolarised 15N2 gas for use in a potential lung imaging technique in the future.

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