Ústav organické chemie a biochemie
AV ČR

Naši vědci v médiích – výběr z článků, rozhovorů, reportáží
Benchmark Dynamics of Dipolar Molecular Rotors in Fluorinated Metal-Organic Frameworks
Benchmark Dynamics of Dipolar Molecular Rotors in Fluorinated Metal-Organic Frameworks
62 (5): e202215893 (2023)
Fluorinated Metal-Organic Frameworks (MOFs), comprising a wheel-shaped ligand with geminal rotating fluorine atoms, produced benchmark mobility of correlated dipolar rotors at 2 K, with practically null activation energy (Ea=17 cal mol−1). 1H T1 NMR revealed multiple relaxation phenomena due to the exchange among correlated dipole-rotor configurations. Synchrotron radiation X-ray diffraction at 4 K, Density Functional Theory, Molecular Dynamics and phonon calculations showed the fluid landscape and pointed out a cascade mechanism converting dipole configurations into each other. Gas accessibility, shown by hyperpolarized-Xe NMR, allowed for chemical stimuli intervention: CO2 triggered dipole reorientation, reducing their collective dynamics and stimulating a dipole \nconfiguration change in the crystal. Dynamic materials under limited thermal noise and high responsiveness enable the fabrication of molecular machines with low energy dissipation and controllable dynamics.
Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study
RSC Medicinal Chemistry 2023: Early View
The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments
Journal of Computational Chemistry 44 (3): 329–333 (2023)
Arabidopsis thaliana NudiXes have RNA-decapping activity
RSC Chemical Biology 2023: Early View

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