Thermodynamics, static properties and transport behaviour of fluids with competing interactions

Competing interaction fluids have become ideal model systems to study a large number of phenomena, for example, the formation of intermediate range order structures, condensed phases not seen in fluids driven by purely attractive or repulsive forces, the onset of particle aggregation under in- and out-of-equilibrium conditions, which results in the birth of reversible and irreversible aggregates or clusters whose topology and morphology depend additionally on the thermodynamic constrictions, and a particle dynamics that has a strong influence on the transport behaviour and rheological properties of the fluid. In this contribution, we study a system of particles interacting through a potential composed by a continuous succession of a short-ranged square-well, an intermediate-ranged square-shoulder and a long-ranged square-well. This potential model is chosen to systematically analyse the contribution of every component of the interaction potential on the phase behaviour, the microstructure, the morphology of the resulting aggregates and the transport phenomena of fluids described by competing interactions. Our results indicate that the inclusion of a barrier and a second well leads to new and interesting effects, which in addition result in variations of the physical properties associated to the competition among interactions.

DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes

DNA glycosylases must distinguish the sparse damaged sites from the vast expanse of normal DNA bases. However, our understanding of the nature of nucleobase interrogation is still limited. Here, we show that hNEIL1 (human endonuclease VIII-like 1) captures base lesions via two competing states of interaction: an activated state that commits catalysis and base excision repair, and a quarantine state that temporarily separates and protects the flipped base via auto-inhibition. The relative dominance of the two states depends on key residues of hNEIL1 and chemical properties (e.g. aromaticity and hydrophilicity) of flipped bases. Such a DNA repair mechanism allows hNEIL1 to recognize a broad spectrum of DNA damage while keeps potential gratuitous repair in check. We further reveal the molecular basis of hNEIL1 activity regulation mediated by post-transcriptional modifications and provide an example of how exquisite structural dynamics serves for orchestrated enzyme functions.

Low-temperature antiferromagnetism of Ising model with competing interactions

The paper presents a numerical analysis of equilibrium state and spin configuration of square lattice Ising model with competing interaction. The most detailed description is given for case of ferromagnetic interaction of the first-order neighbours and antiferromagnetic coupling of the second-order neighbours. The numerical method is based on Metropolis algorithm. It uses 128×128 lattice with periodic boundary conditions. At first, the simulation results show that the system is in saturation state at low temperatures, and it turns into paramagnetic state at the Curie point. The competing second-order interaction makes possible the domain structure realization. This state is metastable, because its energy is higher than saturation energy. The domains are small at low temperature, and their size increases when temperature is growing until the single domain occupies the whole simulation area. In addition, the antiferromagnetic coupling of the second-order neighbours reduces the Curie temperature of the system. If it is large enough, the lattice has no saturation state. It turns directly from the domain state into paramagnetic phase. There are no extra phases when the system is antiferromagnetic in main order, and only the Neel temperature shift realizes here.

Explicit analyses of proof/refutation interaction for constructible falsity and Heyting–Brouwer logic

Nelson’s logic of constructible falsity $\textsf{N}$ and Rauszer’s Heyting–Brouwer logic $\textsf{HB}$ are well-known cases of extensions of intuitionistic logic $\textsf{Int}$ enriched with novel connectives. Wansing has suggested that Gödel’s provability interpretation of $\textsf{Int}$ can be extended to these systems by pairing the category of formal proofs with a distinct category of formal refutations. In this paper, we extend the framework of Artemov’s justification logic to provide explicit analyses of $\textsf{N}$ and $\textsf{HB}$ (and the dual-intuitionistic logic $\textsf{DualInt}$) that respect a distinction between proofs and refutations. The application distinguishes the categories by reinterpreting the agents of multiple-agent justification logic as devices that operate exclusively on one or the other category. The analyses reveal that differences between $\textsf{N}$ and $\textsf{HB}$ can be reduced to competing interaction principles characterizing the coordination between proofs and refutations. We conclude by reappraising some of the unusual features of $\textsf{HB}$ in light of the explicit analysis of $\textsf{HB}$.

Types of factors generated by quantum Markov states of Ising model with competing interactions on the Cayley tree

In this paper, we consider Quantum Markov States (QMS) corresponding to the Ising model with competing interactions on the Cayley tree of order two. Earlier, some algebraic properties of these states were investigated. In this paper, we prove that if the competing interaction is rational then the von Neumann algebra, corresponding to the QMS associated with disordered phase of the model, has type [Formula: see text], [Formula: see text].

Toxic PR poly-dipeptides encoded by the C9orf72 repeat expansion target Kapβ2 and dysregulate phase separation of low-complexity domains

ABSTRACTLow-complexity (LC) domains of proteins are found in about one fifth of human proteome, and a group of LC-domains form labile cross-β polymers and liquid-like droplets. Polymers and droplets formed from LC-domains are dynamically regulated by posttranslational modifications and molecular chaperones including nuclear transport receptors. Repeat expansion in the first intron of a gene designated C9orf72, which is the most prevalent form of familial amyotrophic lateral sclerosis (ALS), causes nucleocytoplasmic transport deficit, however, the detailed mechanism remains unsolved. Here we show that the proline:arginine (PR) poly-dipeptides encoded by the C9orf72 repeat expansion bound nuclear transport receptor Kapβ2 through its nuclear localization signal (NLS) recognition motif, and inhibited the ability of Kapβ2 to melt fused in sarcoma (FUS) droplets by competing interaction with FUS. The findings in this study offer mechanistic insights as to how the C9orf72 repeat expansion disables nucleocytoplasmic transport and causes neurodegenerative diseases.

Термодинамические и магнитные свойства двумерной анизотропной модели Изинга с конкурирующими взаимодействиями

The two-dimensional anisotropic Ising model was studied with competing interactions on a square lattice using Monte-Carlo methods using the Wang-Landau algorithm. The temperature dependences of the main thermodynamic and magnetic parameters are calculated. The distinctive features of the temperature dependences of these parameters are shown for different values of the competing interaction. The graphs of the dependence of the wave number of modulated structures on the ratio of the parameters of exchange interactions are plotted. Built phase diagram of the model. Interpolating the phase boundaries of the diagram, the coordinates of the Lifshchits point and phase localization areas with different wave vector values are calculated.