Plamen Chorbadzhiev – @NMR_P_Ch_0359
This research is aimed at studying the chemical profile of 5 styles of Amber/Red beers. 1H NMR spectra were obtained and over 50 chemical compounds were identified and quantified, with further application of chemometric methods to successfully distinguish the styles.
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.
Chengtong Zhang – @zhang_chengtong
We provide insights into the behavior of aqueous solutions of alkali chlorides by combining 17O relaxation data with diffusion and viscosity data and contrast their behavior with 1H data. The 17O relaxation correlates well with viscosity data but not with diffusion data, while 1H relaxation correlates with neither.
Jiashan Mi – @JiashanMi
Crystallization is crucial for purifying pharmaceutical ingredients, but similar molecular structures can complicate separation. This study used dynamic nuclear polarization and 15N isotope enrichment to investigate solid solutions of salicylic acid and anthranilic acid. Solid-state NMR and DFT calculations showed homogeneous alloying, aiding purification strategy development and understanding of APIs.
Izabelle Oyamada dos Santos – @izaoyamada
Klebsiella pneumoniae is a Gram-negative bacterium known to cause hypervirulent and multidrug-resistant infections. The T6SS is a virulence mechanism that facilitates the secretion of effector proteins into target cells. VipA makes up the contractile sheath of this system. We optimized the conditions for determining the structure of VipA_CTD using NMR and performed fragment screening.
Julie Maibøll Buhl – @ll_buhl95024
The environment of biomolecular condensates, formed by LLPS, can be investigated using determined partitioning coefficients from a wide range of molecules. The time-zero 1H-13C HSQC was proposed and tested on a model system, where repetitions of the pulse sequence allows for correction of signal attenuation leading to precise quantification.
Valentina Sobornova – @VSobornova7121
https://twitter.com/VSobornova7121/status/1681239368332132353?s=20
The effect of mefenamic acid on the physicochemical and sorption properties of aerogel was studied. 1H and 13C MAS, T1-T2 RRCOSY and 1H-1H NOESY NMR experiments were carried out to study the conformational state of mefenamic acid and its effect on the aerogel structure. The results show that the group fraction of conformer groups of mefenamic acid changes by 53% in the presence of aerogel.
Eventova Varvara – @evarvara24
Crystalline forms of medicinal compounds in the form of crystalline solvates have increased solubility in water and can be used to improve therapeutic properties. When obtaining solvates, the choice of solvent is important. In this work, the predominant conformations of arbidol in scCO2+2% DMSO-d6 were determined by NMR and X-Ray methods. The results showed the promise of using scCO2 as an alternativevto organic solvents.
Sakshi Bhagat – @sakszi
Being the most dynamic component of majority of biological processes solvent plays a crucial role in changing the protein’s conformation in the system. The structural evolution of protein in various media, such as co-solvents, electrolytes, and others indicates existence of various intra- and intermolecular interactions that are responsible for maintaining protein stability. In the present study we focussed on the spin-lattice relaxation of deuterium nuclei present in co-solvents deciphering conformational changes in β-LG at variable concentration of co-solvent at a neutral pH. Β-LG is a milk protein with 162 Amino acids and is found abundantly in milk and is one the most extensively studied β-sheet protein. Presently, tri-fluorethanol (TFE) and Acetonitrile (ACN) are the two organic solvents under investigation. Spin-lattice relaxation rates of 2H nuclei can provide solitary insights into time dependent conformational fluctuation of β-LG from beta sheet to the α-helix structure.
Sarah Anderson – @sanderson9135
The initial goal of this research was to reproduce a NMR study by Delso et al. which evidenced the existence of a hydrogen bonding network. Each solvent contained choline-chloride, a hydrogen bond acceptor, and water. Previous studies provided a qualitative analysis, evidenced by the Nuclear Overhauser Effect. Through the analysis of nOe peak intensities with varied mixing time one may understand this network quantitatively.
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