2024

  • Unveiling Charge-Pair Salt-Bridge Interaction Between GAGs and Collagen Protein in Cartilage: Atomic Evidence from DNP-Enhanced ssNMR at Natural Isotopic Abundance

    Bijaylaxmi Patra – @BijaylaxmiNMR

    Glycosaminoglycans (GAGs) and protein interactions are essential in numerous biochemical processes involving ion-pair interactions. However, there is no evidence of this, in native cartilage. Using dynamic nuclear polarization (DNP)-enhanced magic-angle spinning (MAS) NMR, we detected these interactions, revealing charge-pair salt-bridges and potential hydrogen bonding, offering new structural insights.

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  • Structural Insights into gp120 Glycan Recognition by 2G12 Antibody: A Paramagnetic NMR approach

    Mayra Paola Oquist Phillips – @oquist_paola

    Glycoprotein 120 (gp120) shields the HIV virus using high mannose glycans, which are difficult to analyze structurally due to their high isochronicity causing NMR signal collapse. Novel NMR methods, including paramagnetic probes, now enable detailed study of gp120 and its interaction with the neutralizing antibody 2G12.

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  • Probing Dynamics of an Intact Virus Using Pseudo 3D REDOR-based MAS Experiments

    Orr Lusky – @ItIsLusk

    We present a robust method using ssNMR to characterise the protein dynamics in an intact virus using pseudo 3D experiments. We show an automated protocol to quantify site-specific order parameters in the backbone, and demonstrate it on the fd-Y21M bacteriophage.

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  • Hot and bothered: understanding the metabolic effects of heat stress in feedlot cattle using NMR-based metabolomics and clinical biochemistry

    Alexandra Gloria – @_AGloria

    Feedlot cattle are crucial to Australia’s livestock industry, supplying beef for domestic and export markets. High summer temperatures and humidity increase heat stress vulnerability, impacting growth, productivity, and welfare. We use NMR-based metabolomics and clinical biochemistry to understand the metabolic effects of heat stress to help mitigate its impact.

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  • Understanding the functional dynamics of PV-3C(D) and RNA interactions

    Somnath Mondal – @somomsom

    The picornaviral 3C(D) protein is a vital protease that cleaves viral polyproteins and host cell defense proteins, interacting with replication elements to control replication and translation. Its interaction with RNA, causing liquid-liquid phase separation, could influence viral apoptosis and infection in the host cells.

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  • NMR-Based Structural Insight into DNA G-Quadruplex

    Julia Pakuła – @x_yuliya_x

    Emerging as a promising area in anticancer research, noncanonical DNA structures such as G-quadruplexes are studied using NMR spectroscopy. NOESY spectra reveals crucial interactions between ligands and G-quadruplexes, helping to understand non-covalent binding mechanisms. This knowledge is essential for rational drug design targeting these structures.

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  • “My roommate fought off the intruders!” – Characterising the virus-repressing effect of Wolbachia in Drosophila melanogaster

    Sarah Walsh – @SarahW29329

    Wolbachia, a common endosymbiont of insects, exerts significant antiviral effects. This phenomenon is valuable in reducing the spread of arboviruses, such as dengue. Employing NMR metabolomics, we uncover that in virus-infected Drosophila melanogaster Wolbachia drives host metabolism in a way that inhibits RNA virus replication both directly and indirectly.

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  • Characterization of Flufenamic Acid Spatial Structure in scCO2 Based on 2D NOESY Data

    Valentina Sobornova – @VSobornova7121

    We analyzed the conformational equilibria of flufenamic acid in various media using 2D NOESY spectroscopy and quantum chemical calculations. Our results demonstrate that supercritical carbon dioxide (scCO2) is an effective medium for altering and controlling the conformational preferences of slightly soluble compounds.

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  • The Influence of Lidocaine Dimer Formation on Conformational Distribution: Insights from Quantum Chemistry and NMR

    Konstantin Belov – @Konstantin94484

    In our study, we investigated the conformer distributions of lidocaine under various isobaric and isothermal conditions. Utilizing quantum chemical calculations and NOESY spectroscopy, we found that trans-conformers, stabilized by intramolecular hydrogen bonds, predominate under specific conditions. These findings significantly influence the formation of lidocaine dimers.

  • NORD-NOESY modified NMR of Deep Eutectic Solvents

    Kelsey Marr – @kelsey_marr

    Deep eutectic solvents (DES) are low-cost, no-waste mixtures made of hydrogen bond acceptors (HBA) and hydrogen bond donors (HBD). One of the most common DES is ethaline, 1:2 choline chloride to ethylene glycol. The aim of this work is to fully elucidate the hydrogen bond network structure by 2D NMR, specifically through Nuclear Overhauser spectroscopy (NOESY). Previous attempts for ethaline have been hindered by multiple effects, one of the most prominent being radiation dampening. We have successfully utilized a NO Radiation Dampening (NORD) pulse sequence modification to the NOESY sequence and obtained build up curves of NOE and of chemical exchange.

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