Efficient energy conversion often requires stabilization of one-electron intermediates within catalytic sites of redox enzymes. While quinol oxidoreductases are known to stabilize semiquinones, one of the famous exceptions includes the quinol oxidation site of cytochrome bc1 (Qo), for which detection of any intermediate states is extremely difficult. Here we discover a semiquinone at the Qo sit...

Recent experiments showed that Co undergoes a phase transition from the ferromagnetic hcp phase to the nonmagnetic fcc one around 100 GPa. Since the transition is of first order, a certain region of coexistence of the two phases is present. By means of ab initio calculations, we found that the hcp phase itself undergoes a series of electronic topological transitions (ETTs), which affects both e...

Electron paramagnetic resonance ~EPR!, Raman scattering, and neutronand x-ray-diffraction experiments were performed in polycrystalline samples of La2Ni0.5Li0.5O4 as a function of temperature. Structural studies confirm a partial cation ordering of Ni and Li at the metal sites. As the temperature decreases, EPR measurements show an increasing g-value anisotropy (g'2g i) and neutron and x-ray-di...

in the present work we use the negativity to study the effect of rashba parameter on the thermal entanglement ofelectronic spin and subband states inside a quasi-one-dimensional rashba nanowire, in a perpendicular uniformmagnetic field. we assume that the nanowire is held at a temperature t, so that both spin and subband states, withdefinite probabilities, are present. the partially transposed ...

Spin-valves had empowered the giant magnetoresistance (GMR) devices to have memory. The insertion of thin antiferromagnetic (AFM) films allowed two stable magnetic field-induced switchable resistance states persisting in remanence. In this letter, we show that, without the deliberate introduction of such an AFM layer, this functionality is transferred to multiferroic tunnel junctions (MFTJ) all...

The stochastic variational method is used in conjunction with stabilization ideas to compute the low energy phase shifts and scattering lengths for positronium-atom scattering. Results are obtained for the Ps-H, Ps- Li+, Ps-He, and Ps-Ps systems. The Ps-H scattering lengths are probably accurate to better than 5% and are the most accurate so far computed. The results for Ps- Li+ and Ps-Ps scatt...

S K and Ir L3 x-ray absorption measurements across the temperature-induced metal ~M! to insulator ~I! transition in CuIr2S4 are presented. Dramatic S K-edge changes reflect the Ir d-electronic state redistribution across this transition. These changes, along with a detailed consideration of the I-phase structure, motivate a model in which the I-phase stabilization involves an interplay of charg...

This paper considers the quadratic stabilization problem of multi-input planar switched systems. Based on some basic lemmas, some uniformly quadratic stabilization criteria are established. Furthermore, an example is given to illustrate our results in this

We determined the added enthalpic and entropic contributions of protective osmolytes to the folding of a model peptide into its native beta-hairpin state. In contrast to entropically driven steric "crowding", this study shows that sugars and polyols can act as protective osmolytes by primarily diminishing the unfavourable enthalpic contribution to folding.