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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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6JFH coupling in the conformational analysis of fluorinated drugs
Cassia Chiari – @CassiaChiari
The forefront treatment of onychomycosis is topical therapy, however, there is a gap of knowledge on the conformational behaviour of these drugs in solution. Therefore, the present work aimed to investigate and compare efinaconazole (topical therapy) and voriconazole (oral therapy) using NMR and theoretical calculations in CDCl3, DMSO-d6 and D2O.
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A short tour of the MAS-DNP lab at the NHMFL (Maglab)
Faith Scott – @faithscottdnp
I will showcase some of the improvements we have made to the MAS-DNP user program instrumentation over the last few years. This includes upgrades to the cooling cabinet and the 3.2 mm custom MAS-DNP probe.
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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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Applications of DOSY of Intrinsically Viscous Macromolecules – Soft Materials where Diffusion may or may not relate to either size or mass
Thomas Swift – @Swifthom
In recent years Pulsed Field Gradient NMR techniques to get Diffusion decays of materials have been successfully adopted in the polymer chemistry community as a sizing technique. It has many advantages over the previous gold standard in the field (size exclusion chromatography) although it has its own drawbacks and difficulties. Here we will focus on applications of NMR for Polymer material characterisation and the limitations thereof.
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Benchtop DNP Hyperpolarization with functional porous polarizing polymers
Julien Dieterich – @J_Dieterich_
Hyperpolarizing polymers (HYPOPs) are porous epoxy-amine polymers with covalently grafted nitroxide radicals. Their use in our HypFlow project aims to enable repeating multiple cycles of freeze-DNP-melt and liquid state analysis of a pure and undiluted sample. This work presents the first results of HYPOPs recorded in our 1 Tesla benchtop DNP polarizer operating at 77 Kelvin.
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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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Conformational Landscape of NADH and Ion-binding in Water/DMSO Mixtures via 31P NMR Spectroscopy
Jiaqi Lu – @Jiaqi_Lu22
Exploring NADH’s conformational dynamics in water/DMSO mixtures through 31P NMR spectroscopy reveals solvent and ion-binding effects. This study highlights critical insights into NADH’s structural flexibility and its implications for the advanced biophysical research and potential metabolic processes.
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Dynamic Nuclear Polarization using Nitrogen-Vacancy Center in Diamond
Shubham Kumar Debadatta – @shubham_k_deb
The study explores enhancing NMR sensitivity using dynamic nuclear polarization with diamond NV-center, aiming to transfer polarization to nearby nuclear spin using NV-electron spin and microwave pulses, avoiding traditional cryogenic methods and costly equipment.
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Effect of aliovalent bismuth substitution on structure and optical properties of CsSnBr3
Madhusudan Chaudhary – @thehonestspin
Aliovalent substitution of the B component in ABX3 metal halides has often been proposed to modify the band gap and thus the photovoltaic properties, but details about the resulting structure have remained largely unknown. Here, we examine these effects in Bi-substituted CsSnBr3. Powder X-ray diffraction (XRD) and solid-state 119Sn, 133Cs and 209Bi nuclear magnetic resonance (NMR) spectroscopy were carried out to infer how Bi substitution changes the structure of these compounds. The cubic perovskite structure is preserved upon Bi-substitution, but with disorder in the B site occurring at the atomic level. Bi atoms are randomly distributed as they substitute for Sn atoms with no evidence of Bi segregation. The absorption edge in the optical spectra shifts from 1.8 to 1.2 eV upon Bi-substitution, maintaining a direct band gap according to electronic structure calculations. It is shown that Bi-substitution improves resistance to degradation by inhibiting the oxidation of Sn.
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Efficient Nuclear Polarization Using P1 Diamonds Under Magic Angle Spinning at 14.1 T from 30K to RT
Celeste Tobar – @Celestial_023
P1 center diamonds provide robust polarization for RT DNP, featuring unique spin properties and extended coherence and relaxation times. Our MAS-DNP experiments at 14.1 T (298K to 30K) reveal their efficiency and novel characteristics, showcasing their potential for NMR imaging and bio-NMR studies.
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Elucidation of Bicalutamide Conformers in DMSO-d6: A Combined NMR and Computational Study
Anna Mololina – @Anikkks
Our research addresses the challenges posed by polymorphism in pharmaceuticals, focusing on bicalutamide, a treatment for prostate cancer. Using NOESY spectroscopy and computational methods, we analyzed the spatial structure of bicalutamide in DMSO-d6, providing detailed insights into its conformational behavior.
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