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Spectroscopic constants from atomic properties: a machine learning approach [PDF]
We present a machine-learning approach toward predicting spectroscopic constants based on atomic properties. After collecting spectroscopic information on diatomics and generating an extensive database, we employ Gaussian process regression to identify ...
Ibrahim, Mahmoud A. E. +2 more
core +1 more source
Structural and biochemical analysis of a B12 superbinder
BtuG proteins are vitamin B12 scavengers in Bacteroides thetaiotaomicron, a dominant human gut bacterium. We present crystal structures of three BtuG homologs bound to cobalamin and its precursor cobinamide, revealing picomolar binding affinities, among the highest known for any natural protein.
Jose M. Martinez Felices +3 more
wiley +1 more source
Spectroscopic Constants of the Di-Atom PN [PDF]
IN a recent paper1, I ventured to predict that (a) “the internuclear distance of PN may be taken as closely approximating to the mean of the experimental values for NN and PP” (p. 28), and that (b) “it may be expected that experiment may show that PN has the highest bond constant and mean restoring force in the LK and KL periods” (p. 36).
openaire +1 more source
Molecular spectroscopic constants of O2(B3Σu-): The upper state of the Schumann-Runge bands
Spectroscopic constants of the B 3Σ u - state of O 2 for 0 ≤ v′ ≤ 17 have been determined from the experimental data of K. Yoshino, D. E. Freeman, and W. H. Parkinson [J. Phys. Chem. Ref.
Freeman, DE +3 more
core +1 more source
The Shewanella oneidensis Fic enzyme SoFic targets the switch‐I region of EF‐Tu for AMPylation
Fic enzymes mediate diverse post‐translational modifications across all domains of life, including AMPylation. Prokaryotic EF‐Tu can be AMPylated and deAMPylated by the conserved Fic enzyme SoFic. Structural and biochemical approaches were used to characterize the effect of AMPylation on EF‐Tu, SoFic's enzymatic activities, and the enzyme‐target ...
Svenja Runge +6 more
wiley +1 more source
Spectroscopic Constants, Abundances, and Opacities of the TiH Molecule [PDF]
Using previous measurements and quantum chemical calculations to derive the molecular properties of the TiH molecule, we obtain new values for its ro-vibrational constants, thermochemical data, spectral line lists, line strengths, and absorption opacities.
Burrows, A. +6 more
openaire +2 more sources
Smaller is better: nanobodies meet NMR
Nanobodies are single‐domain antigen‐binding fragments derived from camelid heavy chain antibodies. Their small size, high stability, and exceptional specificity make nanobodies uniquely useful probes for NMR studies of protein dynamics, transient conformational states, and protein–protein interactions.
Oleg Y. Dmitriev
wiley +1 more source
The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka +9 more
wiley +1 more source
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard +12 more
wiley +1 more source
Spectroscopic Constants and Line Positions for TiO Singlet States [PDF]
consistent set of spectroscopic constants for the a1Δ,d1Σ+,b1Π,c1Φ, and f1Δ states of 48Ti16O has been determined from analysis of the b1Π–a1Δ,b1Π–d1Σ+,c1Φ–a1Δ, and f1Δ–a1Δ systems. Three Fourier transform emission spectra have been used for the analysis.
Dror M. Bittner +3 more
core +1 more source

