To elucidate the mechanism of DNA strand breaks by low-energy electrons (LEE), theoretical investigations of the LEE attachment-induced C(5')-O(5') sigma bond breaking of pyrimidine nucleotides (5'-dCMPH and 5'-dTMPH) were performed by using the B3LYP/DZP++ approach. The results indicate that the pyrimidine nucleotides are able to capture electrons characterized by near-0-eV energy to form elec...

‎given a finite non-cyclic group $g$‎, ‎call $sigma(g)$ the smallest number of proper subgroups of $g$ needed to cover $g$‎. ‎lucchini and detomi conjectured that if a nonabelian group $g$ is such that $sigma(g) < sigma(g/n)$ for every non-trivial normal subgroup $n$ of $g$ then $g$ is textit{monolithic}‎, ‎meaning that it admits a unique minimal normal subgroup‎. ‎in this paper we show how thi...

Using a cluster of 14 Ni atoms to model an Ni(100) surface, we have used ab inltio methods (generalized valence bond) to calculate geometry, vibrational frequencies and ionization potentials for CO chemisorbed at the on-top site. The Nil4 cluster consisted of atoms at the corners and faces of a cube, and the CO was bonded to an Ni atom at the center of one face. This on-top site has been establ...

let $g$ be a simple graph with an orientation $sigma$‎, ‎which ‎assigns to each edge a direction so that $g^sigma$ becomes a‎ ‎directed graph‎. ‎$g$ is said to be the underlying graph of the‎ ‎directed graph $g^sigma$‎. ‎in this paper‎, ‎we define a weighted skew‎ ‎adjacency matrix with rand'c weight‎, ‎the skew randi'c matrix ${bf‎ ‎r_s}(g^sigma)$‎, ‎of $g^sigma$ as the real skew symmetric mat...

We study the distribution function P (rho) of the effective resistance rho in two- and three-dimensional random resistor networks of linear size L in the hopping percolation model. In this model each bond has a conductivity taken from an exponential form sigma proportional to exp (-kappar) , where kappa is a measure of disorder and r is a random number, 0< or = r < or =1 . We find that in both ...

Spx, a global transcription regulator in Bacillus subtilis, interacts with the C-terminal domain of the alpha subunit (alphaCTD) of RNA polymerase to control gene expression under conditions of disulfide stress, which is sensed by disulfide bond formation between Spx residues C10 and C13. Here, we describe the crystal structure of the B. subtilis alphaCTD bound to oxidized Spx. Analysis of the ...

The photochemical C-H activation reactions of eta(3)-TpRh(CO)(2) (Tp = HB-Pz(3), Pz = 3,5-dimethylpyrazolyl) and CpRh(CO)(2) (Cp = C(5)H(5)) have been studied in a series of linear, cyclic, and aromatic hydrocarbon solvents on a femtosecond to microsecond time scale. These results have revealed that the structure of the hydrocarbon substrate affects the final C-H bond activation step, which is ...

Let $A$ be a Banach ternary algebra over a scalar field $Bbb R$ or $Bbb C$ and $X$ be a ternary Banach $A$--module. Let $sigma,tau$ and $xi$ be linear mappings on $A$, a linear mapping $D:(A,[~]_A)to (X,[~]_X)$ is called a Lie ternary $(sigma,tau,xi)$--derivation, if $$D([a,b,c])=[[D(a)bc]_X]_{(sigma,tau,xi)}-[[D(c)ba]_X]_{(sigma,tau,xi)}$$ for all $a,b,cin A$, where $[abc]_{(sigma,tau,xi)}=ata...

The last decade has witnessed dramatic growth in the number of reactions catalyzed by electrophilic gold complexes. While proposed mechanisms often invoke the intermediacy of gold-stabilized cationic species, the nature of bonding in these intermediates remains unclear. Herein, we propose that the carbon-gold bond in these intermediates is comprised of varying degrees of both sigma and pi-bondi...

In this paper. (1) We determine the complex-valued solutions of the following variant of Van Vleck's functional equation $$int_{S}f(sigma(y)xt)dmu(t)-int_{S}f(xyt)dmu(t) = 2f(x)f(y), ;x,yin S,$$ where $S$ is a semigroup, $sigma$ is an involutive morphism of $S$, and $mu$ is a complex measure that is linear combinations of Dirac measures $(delta_{z_{i}})_{iin I}$, such that for all $iin I$, $z_{...