ATP biphasically modulates LLPS of TDP-43 PLD by specifically binding arginine residues

Mysteriously neurons maintain ATP concentrations of ~3 mM but whether ATP modulates TDP-43 LLPS remains completely unexplored. Here we characterized the effect of ATP on LLPS of TDP-43 PLD and seven mutants by DIC and NMR. The results revealed: 1) ATP induces and subsequently dissolves LLPS of TDP-43 PLD by specifically binding Arg saturated at 1:100. 2) ATP modifies the conformation-specific electrostatic property beyond just imposing screening effect. 3) Reversibility of LLPS of TDP-43 PLD and further exaggeration into aggregation appear to be controlled by a delicate network composed of both attractive and inhibitory interactions. Results together establish that ATP might be a universal but specific regulator for most, if not all, R-containing intrinsically-disordered regions by altering physicochemical properties, conformations, dynamics, LLPS and aggregation. Under physiological conditions, TDP-43 is highly bound with ATP and thus inhibited for LLPS, highlighting a central role of ATP in cell physiology, pathology and aging.

Crystalline packing in pentacene-like organic semiconductors

Combining Hirshfeld surface analysis with single molecule electrostatic property calculations allows rationalizing crystalline packing motifs of organic semiconductors.

Overview and Correlation Study on Electrostatic Property of Different Testing Standards

Testing standards of electrostatic property of industrial textile were analyzed via comparing the principles and apparatuses, as well as their advantages and disadvantages. And the correlation study on different standards showed that testing results of different materials according to the same method had similar change trend, but no evidence proved a definite linear relationship of three test methods.

Theoretical Study on the GeH4•••Y (Y=He, Ne, Ar and Kr) Systems

MP2/aug-cc-pvtz level was used to optimize geometries of the complexes between GeH4 and Y(Y=He, Ne, Ar and Kr). The structures and electronic properties of the blue-shift hydrogen bonds complexes GeH4…Y(Y=Ar, Kr) were investigated. The calculated interaction energies with basis set super-position error (BSSE) correction revealed that the relative stabilities of the complexes in the order: GeH4…He ˂ GeH4…Ne ˂ GeH4…Ar ≈ GeH4…Kr. The calculated results showed that the interactions between GeH4 and Y（Y=He, Ne）belong to van der Waals force, and those between GeH4 and Y（Y=Ar, Kr）belong to weak hydrogen bond. NBO (natural bond orbital theory) and electron behavior analysis showed that GeH4…Y(Y= Ar, Kr) hydrogen bond is with a non-electrostatic property.