Biological NMR

  • Solid State NMR Characterizations of Biomolecules and Materials

    Malitha Chathuranga Dickwella Widanage – @MalithaChathur4

    Intermediates in fibrillation pathways, toxic and responsible for amyloid diseases, are hard to study due to their heterogeneity and instability. We introduce a novel MAS methodology to produce stable hIAPP oligomers, which are heterogeneous and β-sheet-rich, capable of seeding fibrillation. MAS NMR shows their nature is sample condition-sensitive.

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  • Alterations in metabolomic profile after β-Hydroxybutyrate supplementation

    Kamil Aysin – @KamilNAysin

    Specialized diet for obese people together with clear markers of metabolic status is a must. We took 48 volunteers’ urine samples before/after two weeks of food supplementation with β-Hydroxybutyrate. Compare to the control group we observed altered concentrations of several metabolites showing a positive effect of BHB food supplementation.

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  • Identify the initial pinning sites of tau to seeding-competent fibrils and the role of structural water

    Chung-Ta Han

    We interrogate the key residue(s) that initiate the pinning of soluble Tau onto existing fibril active ends by tracking the time evolution of 1H-15N correlation spectra along the fibril seeding process of a tau construct composed of 19 amino acids.

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  • NMR spectroscopy – based metabolomics in variants of Non Alcoholic – Steatohepatitis (NASH) and Cryptogenic Cirrhotic patients

    Shreya Pandey – @shreyapandey171

    The global prevalence of NASH is 1.5-6.5%. In India, NAFLD affects 9-32%, with unclear NASH prevalence. NAFLD is marked by excess liver triglycerides (TG), while NASH includes steatosis, hepatocyte damage, inflammation, and fibrosis, leading to severe liver issues. Current NASH diagnosis relies on biopsies, but metabolomic and lipidomic profiling offers non-invasive diagnostic potential. This study aims to identify specific metabolites to improve non-invasive diagnosis and treatment.

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  • NMR Metabolomics for Assessing the Probiotics Efficacy in the Treatment of Renal Insufficiency

    Sofia Mariasina, Ulyana Bulgakova, Olga Gavrilova, Anna Kuzmina@SMariasina with @uliana_buv, @GavrilovaO25732 and @AnnaKuz38797

    Kidney disorders dramatically change the blood composition. We use NMR-metabolomics to assess the effectiveness of probiotics supplementation in the treatment of renal insufficiency in human. For that purpose metabolic profiling of the blood of patients with chronic kidney disease was carried out before and after probiotic supplementation.

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  • Unusial Zn-finger protein

    Sergei Dukhalin – @DukhalinSergei

    Zinc finger proteins play an important role in DNA organization. We have found a new family of D. Melanogaster proteins with an unusual zinc finger domain capable of forming homo- and heterodimers. The 3D structure of one of this family member was determined as homodimer by solution NMR.

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  • Protein hydraulics of AsLOV2

    Shiny Maity – @shiny_maity

    Water dynamics near AsLOV2’s surface decrease upon light activation, suggesting expulsion of wrap water and leaving a tightly bound hydration shell. Under high pressure, AsLOV2 shifts from folded to unfolded states, mimicking light’s effect. 17O NMR reveals distinct water populations. We aim to identify light’s impact on these water populations.

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  • 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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