Chains are more flexible under tension

The mechanical response of networks, gels, and brush layers is a manifestation of the elastic properties of the individual macromolecules. Furthermore, the elastic response of macromolecules to an applied force is the foundation of the single-molecule force spectroscopy techniques. The two main classes of models describing chain elasticity include the worm-like and freely-jointed chain models. The selection between these two classes of models is based on the assumptions about chain flexibility. In many experimental situations the choice is not clear and a model describing the crossover between these two limiting classes is therefore in high demand. We are proposing a unified chain deformation model which describes the force-deformation curve in terms of the chain bending constant K and bond length b. This model demonstrates that the worm-like and freely-jointed chain models correspond to two different regimes of polymer deformation and the crossover between these two regimes depends on the chain bending rigidity and the magnitude of the applied force. Polymer chains with bending constant K>1 behave as a worm-like chain under tension in the interval of the applied forces f ≤ Kk(B)T/b and as a freely-jointed chain for f ≥ Kk(B)T/b (k(B) is the Boltzmann constant and T is the absolute temperature). The proposed crossover expression for chain deformation is in excellent agreement with the results of the molecular dynamics simulations of chain deformation and single-molecule deformation experiments of biological and synthetic macromolecules.     

Regular 4‐critical graphs of even degree

In 1960, Dirac posed the conjecture that r‐connected 4‐critical graphs exist for every r ≥ 3. In 1989, Erd?s conjectured that for every r ≥ 3 there exist r‐regular 4‐critical graphs. In this paper, a technique of constructing r‐regular r‐connected vertex‐transitive 4‐critical graphs for even r ≥ 4 is presented. Such graphs are found for r = 6, 8, 10. © 2004 Wiley Periodicals, Inc. J Graph Theory 46: 103–130, 2004     

2-(2-Hydroxyphenyl)imidazolidines and their O-phosphorylated derivatives

2-(2-Hydroxyaryl)imidazolidines were synthesized by reaction of aromatic carbonyl compounds with N,N′-dialkylethylenediamines. The title compounds were also prepared using the corresponding Schiff bases instead of carbonyl compounds. Phosphorylation of 2-(2-hydroxyphenyl)imidazolidines with phosphoryl and phosphorothioyl chlorides and phosphorochloridites was accomplished. The reaction of O-phosphorylsalicylaldehyde with N,N′-dialkylethylenediamines also afforded 2-(2-hydroxyphenyl)imidazolidines.     

Hybrid compounds of <Emphasis Type="Italic">ent</Emphasis>-beyerane diterpenoid isosteviol with pyridinecarboxylic acid hydrazides. Synthesis,structure, and antitubercular activity

Hybrid compounds derived from natural diterpenoid isosteviol and antitubercular drug isoniazid (isonicotinic acid hydrazide) and its isomers (nicotinic and 2-picolinic acid hydrazides) were synthesized, and their structure in crystal and in solution was studied. The newly synthesized compounds were found to inhibit Micobacterium tuberculosis (H₃₇R_V strain) in vitro, the minimal inhibitory concentration being 10–20 μg/ml.     

Molecular dynamics simulations of polyelectrolyte-polyampholyte complexes. Effect of solvent quality and salt concentration

Complexation between polyelectrolyte and polyampholyte chains in poor solvent conditions for the polyelectrolyte backbone has been studied by molecular dynamics simulations. In a poor solvent a polyelectrolyte forms a necklace-like structure consisting of polymeric globules (beads) connected by strings of monomers. The simulation results can be explained by assuming the existence of two different mechanisms leading to the necklace formation. In the case of weak electrostatic interactions, the necklace formation is driven by optimization of short-range monomer-monomer attraction and electrostatic repulsion between charged monomers on the polymer backbone. In the case of strong electrostatic interactions, the necklace structure appears as a result of counterion condensation. While the short-range attractions between monomers are still important, the correlation-induced attraction between condensed counterions and charged monomers and electrostatic repulsion between uncompensated charges provide significant contribution to optimization of the necklace structure. Upon forming a complex with both random and diblock polyampholytes, a polyelectrolyte chain changes its necklace conformation by forming one huge bead. The collapse of the polyelectrolyte chain occurs due to the neutralization of the polyelectrolyte charge by polyampholytes. In the case of the random polyampholyte, the more positively charged sections of the chain mix with negatively charged polyelectrolyte forming the globular bead while more negatively charged chain sections form loops surrounding the collapsed core of the aggregate. In the case of diblock polyampholyte, the positively charged block, a part of the negatively charged block, and a polyelectrolyte chain form a core of the aggregate with a substantial section of the negatively charged block sticking out from the collapsed core of the aggregate. In both cases the core of the aggregate has a layered structure that is characterized by the variations in the excess of concentration of monomers belonging to polyampholyte and polyelectrolyte chains throughout the core radius. These structures appear as a result of optimization of the net electrostatic energy of the complex and short-range attractive interactions between monomers of the polyelectrolyte chain.     

Reactive nitrogen species produced in water by non-equilibrium plasma increase plant growth rate and nutritional yield

Water quality, mineralization, and chemical composition, particularly pH and nitrogen compounds each, play a crucial role in plant development and growth. Treatment of water with non-equilibrium discharges results in the change of its properties and chemical composition, which in turn may affect plant growth process and subsequently agriculture produce quality. Both thermal and non-thermal discharges generated in air or in water produce a number of reactive neutral and charged species, electric fields, and ultraviolet radiation. Plasma treatment of water results in significant change of its properties like pH, oxidation–reduction potential (ORP), conductivity, and concentration of reactive oxygen and reactive nitrogen species (ROS and RNS). Here we report the results of an experimental study of the effect of water treated with different atmospheric plasmas on germination, growth rates, and overall nutritional value of various plants. In the study we have used three types of plasmas: thermal spark discharge, gliding arc discharge, and transferred arc discharge. It is shown that the effects of these plasmas on chemical composition of various types of water are qualitatively different. Non-thermal gliding arc discharge plasma results in lower (acidic) pH, and production of significant amount of oxidizing species (e.g. H₂O₂). Gliding arc discharge also causes significant acidification of water, but it is accompanied by production of reactive nitrogen species (NO, NO₂^? and NO₃^?). Spark discharge treatment results in neutral or higher (basic) pH depending on initial water composition, and production of RNS.     

On free p-superalgebras

In this article we consider several aspects of algebraic combinatorics and combinatorial algebra over fields of prime characteristics. P-super-Radford theorem gives the structure of the free associative algebra over a field of prime characteristic with the new multiplication given by the super shuffle product, we show that this algebra is isomorphic to the reduced free super commutative algebra on s-regular words. We prove the elimination theorem for free partially commutative color Lie p-superalgebras and obtain a Schreier type formula for free Lie p-superalgebras using formal power series techniques.     

Infinite family of transmission irregular trees of even order

Distance between two vertices is the number of edges in a shortest path connecting them in a connected graph $G$. The transmission of a vertex $v$ is the sum of distances from $v$ to all the other vertices of $G$. If transmissions of all vertices are mutually distinct, then $G$ is a transmission irregular graph. It is known that almost no graphs are transmission irregular. Infinite families of transmission irregular trees of odd order were presented in Alizadeh and Klav?ar (2018). The following problem was posed in Alizadeh and Klav?ar (2018): do there exist infinite families of transmission irregular trees of even order? In this article, such a family is constructed.