The reaction of the ground state atomic carbon, C(3P), with simple unsaturated nitrile, C2H3CN(X1A' (vinyl cyanide), is investigated theoretically to explore the probable routes for the formation of carbon-nitrogen-bearing species in extraterrestrial environments particularly of ultralow temperature. Five collision complexes without entrance barrier as a result of the carbon atom addition to th...

Type II topoisomerases are essential enzymes that regulate DNA topology through a strand-passage mechanism. Some type II topoisomerases relax supercoils, unknot and decatenate DNA to below thermodynamic equilibrium. Several models of this non-equilibrium topology simplification phenomenon have been proposed. The kinetic proofreading (KPR) model postulates that strand passage requires a DNA-boun...

An explicit application of isodesmic reaction (a proton exchange between the studied and similar in structure reference molecule), where the free energy change of the protonation reaction in water was obtained using the free energies in solution from a single continuum model, was used to predict stepwise protonation constants of nitrilotriacetic acid. Calculations were performed at the RB3LYP/6...

The ion-molecule reactions He+ + CO → He C+ O and NO N+ have been measured at collision energies between 0 kB · 10 K. Strong variations of the rate coefficients are observed below 5 reaction decreases by ~30% whereas that increases a factor ~1.5. These observations interpreted in realm an adiabatic-channel capture model as arising from interactions ion charge dipole quadrupole moments NO. We sh...

Three-body recombination is a chemical reaction where the collision of three atoms leads to formation diatomic molecule. In ultracold regime it expected that production rate molecule generally decreases with its binding energy ${E}_{b}$, however, precise dependence and physics governing have been left unclear so far. Here we present comprehensive experimental theoretical study dependency for th...

Rates and mechanisms of myoglobin removal from plasma were examined in closed-chest dogs, using disappearance patterns of immunoreactivity and radioactivity after i.v. canine myoglobin radiolabeled with 125I. Arterial immunoreactive myoglobin concentration decreased monoexponentially over a 2-decade range, with rate constants of disappearance averaging -0.080 +/- 0.014 min-1 (+/- SD) (correspon...

We present a microscopic theory of equilibrium solvation in solvents with zero dipole moment and nonzero quadrupole moment (quadrupolar solvents). The theory is formulated in terms of autocorrelation functions of the quadrupolar polarization (structure factors). It can be therefore applied to an arbitrary dense quadrupolar solvent for which the structure factors are defined. We formulate a simp...

Two-color spin-noise spectroscopy of interacting electron spins in singly charged semiconductor quantum dots provides information on the interquantum dot interactions. We investigate spin cross-correlation function a ensemble employing modified semiclassical approach. Spin-correlation functions are calculated using Hamilton quaternion approach that maintains local mechanical properties spins. T...

We analytically calculate the electronic friction tensor for a molecule near metal surface in case where Hamiltonian is complex valued, e.g., there spin-orbit coupling and/or an external magnetic field. In such case, even at equilibrium, we show that not symmetric. Instead, real-valued sum of one positive definite (corresponding to dissipation) plus antisymmetric Berry pseudomagnetic force). Mo...