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Conformational Plasticity of Parallel G-quadruplex – Implications on Duplex-Quadruplex Motifs
Rajesh Kumar Reddy Sannapureddi – @RR_Sannapureddi
Parallel G-quadruplexes formed by guanine rich sequences are ubiquitously formed in promoter, telomere regions. Structural and dynamic features associated with them is presented in details from structure survey, solution state NMR studies and MD simulations. Impact of covalently attached duplex on parallel quadruplex discerned from NMR studies are presented.
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Altering a protein’s conformational space differentially regulates the host signalling pathway
Apurva phale – @ApurvaPhale
Viruses mimic host proteins to evade their immune response. A few baculoviruses do this by mimicking a widely present protein, ubiquitin. Interestingly, this viral protein can differentially regulate the forward and reverse pathways, not by changing the interaction interface but by modulating the protein’s conformational space as observed by eCPMG-NMR.
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Study of phosphorus clusters in tau fragment fibrils via multiple quantum solid-state NMR under DNP
Lokeswara Rao – @lokeswarnmr
Hyperphosphorylation of the protein tau is a characteristic of neurodegenerative diseases, yet its role is not entirely clear in promoting the tau aggregation propensity. Multiple quantum spin counting experiments were carried out to probe the phosphate species clustering and beta-sheet organization in the fibrils of phosphorylated tau fragments.
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Yesterday’s Software for Tomorrow’s Solutions!
Simon P. Skinner – @nmronline
Host-guest interactions in MOFs are key to their performance in various applications. Solid-state NMR can probe these interactions, however, with limited sensitivity. I will demonstrate how endogenous metal-ion DNP can tackle this challenge, keeping MOF pores empty for guests, and discuss the effect of MOFs mobility and molecular O2 on the DNP efficacy.
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Probing the dynamics of YadA autotransporter in microcrystals and outer membranes hints at requirements for beta-barrel membrane insertion
Jayasubba Reddy Yarava – @JYarava
Most types of cells are protected and functionalized by a dense surface layer of glycans, proteoglycans, and glycolipids. This surface represents an under-explored space in structural biology that is almost impossible to recreate in vitro. Here, a realistic picture of YadA dynamics in asymmetric outer membrane environment was investigated using ssNMR and MD simulations.
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Structural Elucidation and Remodeling of Fungal Cell Wall by Solid-state NMR
Isha Gautam
Understanding cell wall architecture and adaptation mechanism is essential for antifungal drug efficacies. The cell wall of Aspergillus fumigatus is characterized using solid-state NMR (ssNMR) divulged rigid core of chitin, β-1,3-glucan and α-1,3-glucan. Mobile domains contain galactoproteins and α-1,3-glucan. Hydrophobic and stiff cell walls were exploited in response to antifungals.
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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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NMRduino: a modular, open-source sub-MHz MR platform
Michael Tayler – @NMRduino / @mcdtayler
NMRduino is a sub-MHz NMR spectrometer designed unsparingly for minimum complexity, providing low-entry-barrier-NMR for beginners and those who wish to build custom hardware. Utility ranges from exploration of basic NMR concepts such as phase cycling and coherence selection to advanced experimental control including low-frequency, low-field parahydrogen-induced hyperpolarization and spin decoupling.
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Design and performances of a Tabletop DNP Polarizer : Towards recyclable hyperpolarization
Charlotte Bocquelet – @Charlotte_Boc
Dissolution Dynamic Nuclear Polarization provides a 10’000-fold gain in sensitivity but is incompatible with multi-scan experiments. Our ambition is to turn d-DNP into a new version widely compatible with NMR spectroscopy by replenishing hyperpolarization with a compact instrumentation for melt-DNP. Here I present the performances of the 1T polarizer using water-soluble radicals and porous matrices.
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DNP and Electron Paramagnetic Resonance (EPR) of Substitutional Nitrogen in Diamond at 7 and 14 T
Amit Israelstam, Eyal Laster, Orit Nir-Arad – @DNP_EPR
EPR and DNP-enhanced 13C NMR measurements on our home-built dual DNP/EPR spectrometer reveal unknown properties of substitutional nitrogen centers in diamond, which are used to interpret their DNP spectra. High field EPR data is shown indispensable for both diamond defect spin system characterization and DNP spectral analysis.
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Metal-Ion Dynamic Nuclear Polarization NMR – A Novel Tool for Studying MOF-based Materials
Ilia B. Moroz – @IliaMoroz92
Host-guest interactions in MOFs are key to their performance in various applications. Solid-state NMR can probe these interactions, however, with limited sensitivity. I will demonstrate how endogenous metal-ion DNP can tackle this challenge, keeping MOF pores empty for guests, and discuss the effect of MOFs mobility and molecular O2 on the DNP efficacy.
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Probing NV and SiV charge state dynamics using high-voltage nanosecond pulse and photoluminescence spectral analysis
Artur Pambukhchyan – @APambukhch86933
Nitrogen-vacancy (NV) and silicon-vacancy (SiV) color defects in diamond carry multiple charge states that possess various electronic, optical and spin properties important for quantum technology. We demonstrate that high-voltage pulses shift chemical potential and convert the charge states of NV and SiV centers with the transition rates of ∼ MHz.
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