On the theory of microwave absorption by the spin-1/2 Heisenberg-Ising magnet

We analyze the problem of microwave absorption by the Heisenberg-Ising magnet in terms of shifted moments of the imaginary part of the dynamical susceptibility. When both, the Zeeman field and the wave vector of the incident microwave, are parallel to the anisotropy axis, the first four moments determine the shift of the resonance frequency and the line width in a situation where the frequency is varied for fixed Zeeman field. For the one-dimensional model we can calculate the moments exactly. This provides exact data for the resonance shift and the line width at arbitrary temperatures and magnetic fields. In current ESR experiments the Zeeman field is varied for fixed frequency. We show how in this situation the moments give perturbative results for the resonance shift and for the integrated intensity at small anisotropy as well as an explicit formula connecting the line width with the anisotropy parameter in the high-temperature limit.Comment: 4 page

Master equation approach to line shape in dissipative systems

We propose a formulation to obtain the line shape of a magnetic response with dissipative effects that directly reflects the nature of the environment. Making use of the fact that the time evolution of a response function is described by the same equation as the reduced density operator, we formulate a full description of the complex susceptibility. We describe the dynamics using the equation of motion for the reduced density operator, including the term for the initial correlation between the system and a thermal bath. In this formalism, we treat the full description of non-Markovian dynamics, including the initial correlation. We present an explicit and compact formula up to the second order of cumulants, which can be applied in a straightforward way to multiple spin systems. We also take into account the frequency shift by the system-bath interaction. We study the dependence of the line shape on the type of interaction between the system and the thermal bath. We demonstrate that the present formalism is a powerful tool for investigating various kinds of systems, and we show how it is applied to spin systems, including those with up to three spins. We distinguish the contributions of the initial correlation and the frequency shift, and make clear the role of each contribution in the Ohmic coupling spectral function. As examples of applications to multispin systems, we obtain the dependence of the line shape on the spatial orientation in relation to the direction of the static field (Nagata-Tazuke effect), including the effects of the thermal environment, in a two-spin system, along with the dependence on the arrangement of a triangle in a three-spin system.Comment: 12 Figures, to be appeared in Physical Review E Typos are correcte

Comparison among Various Expressions of Complex Admittance for Quantum System in Contact with Heat Reservoir

Relation among various expressions of the complex admittance for quantum systems in contact with heat reservoir is studied. Exact expressions of the complex admittance are derived in various types of formulations of equations of motion under contact with heat reservoir. Namely, the complex admittance is studied in the relaxation method and the external-field method. In the former method, the admittance is calculated using the Kubo formula for quantum systems in contact with heat reservoir in no external driving fields, while in the latter method the admittance is directly calculated from equations of motion with external driving terms. In each method, two types of equation of motions are considered, i.e., the time-convolution (TC) equation and time-convolutionless (TCL) equation. That is, the full of the four cases are studied. It is turned out that the expression of the complex admittance obtained by using the relaxation method with the TC equation exactly coincides with that obtained by using the external-field method with the TC equation, while other two methods give different forms. It is also explicitly demonstrated that all the expressions of the complex admittance coincide with each other in the lowest Born approximation for the systemreservoir interaction. The formulae necessary for the higher order expansions in powers of the system-reservoir interaction are derived, and also the expressions of the admittance in the n-th order approximation are given. To characterize the TC and TCL methods, we study the expressions of the admittances of two exactly solvable models. Each exact form of admittance is compared with the results of the two methods in the lowest Born approximation. It is found that depending on the model, either of TC and TCL would be the better method.Comment: 34pages, no figur

Algorithm for Linear Response Functions at Finite Temperatures: Application to ESR spectrum of s=1/2 Antiferromagnet Cu benzoate

We introduce an efficient and numerically stable method for calculating linear response functions $\chi(\vec{q},\omega)$ of quantum systems at finite temperatures. The method is a combination of numerical solution of the time-dependent Schroedinger equation, random vector representation of trace, and Chebyshev polynomial expansion of Boltzmann operator. This method should be very useful for a wide range of strongly correlated quantum systems at finite temperatures. We present an application to the ESR spectrum of s=1/2 antiferromagnet Cu benzoate.Comment: 4 pages, 4 figure

Treatment of CoQ10 Deficient Fibroblasts with Ubiquinone, CoQ Analogs, and Vitamin C: Time- and Compound-Dependent Effects

Background: Coenzyme Q(10) (CoQ(10)) and its analogs are used therapeutically by virtue of their functions as electron carriers, antioxidant compounds, or both. However, published studies suggest that different ubiquinone analogs may produce divergent effects on oxidative phosphorylation and oxidative stress.Methodology/Principal Findings: To test these concepts, we have evaluated the effects of CoQ(10), coenzyme Q(2) (CoQ(2)), idebenone, and vitamin C on bioenergetics and oxidative stress in human skin fibroblasts with primary CoQ(10) deficiency. A final concentration of 5 mu M of each compound was chosen to approximate the plasma concentration of CoQ(10) of patients treated with oral ubiquinone. CoQ(10) supplementation for one week but not for 24 hours doubled ATP levels and ATP/ADP ratio in CoQ(10) deficient fibroblasts therein normalizing the bioenergetics status of the cells. Other compounds did not affect cellular bioenergetics. In COQ2 mutant fibroblasts, increased superoxide anion production and oxidative stress-induced cell death were normalized by all supplements.Conclusions/Significance: These results indicate that: 1) pharmacokinetics of CoQ(10) in reaching the mitochondrial respiratory chain is delayed; 2) short-tail ubiquinone analogs cannot replace CoQ(10) in the mitochondrial respiratory chain under conditions of CoQ(10) deficiency; and 3) oxidative stress and cell death can be counteracted by administration of lipophilic or hydrophilic antioxidants. The results of our in vitro experiments suggest that primary CoQ(10) deficiencies should be treated with CoQ(10) supplementation but not with short-tail ubiquinone analogs, such as idebenone or CoQ(2). Complementary administration of antioxidants with high bioavailability should be considered if oxidative stress is present

Renal involvement in mitochondrial cytopathies

Mitochondrial cytopathies constitute a group of rare diseases that are characterized by their frequent multisystemic involvement, extreme variability of phenotype and complex genetics. In children, renal involvement is frequent and probably underestimated. The most frequent renal symptom is a tubular defect that, in most severe forms, corresponds to a complete De Toni-Debré-Fanconi syndrome. Incomplete proximal tubular defects and other tubular diseases have also been reported. In rare cases, patients present with chronic tubulo-interstitial nephritis or cystic renal diseases. Finally, a group of patients develop primarily a glomerular disease. These patients correspond to sporadic case reports or can be classified into two major defects, namely 3243 A>G tRNALEU mutations and coenzyme Q10 biosynthesis defects. The latter group is particularly important because it represents the only treatable renal mitochondrial defect. In this Educational Review, the principal characteristics of these diseases and the main diagnostic approaches are summarized

The Role of Oligomerization and Cooperative Regulation in Protein Function: The Case of Tryptophan Synthase

The oligomerization/co-localization of protein complexes and their cooperative regulation in protein function is a key feature in many biological systems. The synergistic regulation in different subunits often enhances the functional properties of the multi-enzyme complex. The present study used molecular dynamics and Brownian dynamics simulations to study the effects of allostery, oligomerization and intermediate channeling on enhancing the protein function of tryptophan synthase (TRPS). TRPS uses a set of α/β–dimeric units to catalyze the last two steps of L-tryptophan biosynthesis, and the rate is remarkably slower in the isolated monomers. Our work shows that without their binding partner, the isolated monomers are stable and more rigid. The substrates can form fairly stable interactions with the protein in both forms when the protein reaches the final ligand–bound conformations. Our simulations also revealed that the α/β–dimeric unit stabilizes the substrate–protein conformation in the ligand binding process, which lowers the conformation transition barrier and helps the protein conformations shift from an open/inactive form to a closed/active form. Brownian dynamics simulations with a coarse-grained model illustrate how protein conformations affect substrate channeling. The results highlight the complex roles of protein oligomerization and the fine balance between rigidity and dynamics in protein function

Effect of P to A Mutation of the N-Terminal Residue Adjacent to the Rgd Motif on Rhodostomin: Importance of Dynamics in Integrin Recognition

Rhodostomin (Rho) is an RGD protein that specifically inhibits integrins. We found that Rho mutants with the P48A mutation 4.4–11.5 times more actively inhibited integrin α5β1. Structural analysis showed that they have a similar 3D conformation for the RGD loop. Docking analysis also showed no difference between their interactions with integrin α5β1. However, the backbone dynamics of RGD residues were different. The values of the R2 relaxation parameter for Rho residues R49 and D51 were 39% and 54% higher than those of the P48A mutant, which caused differences in S2, Rex, and τe. The S2 values of the P48A mutant residues R49, G50, and D51 were 29%, 14%, and 28% lower than those of Rho. The Rex values of Rho residues R49 and D51 were 0.91 s−1 and 1.42 s−1; however, no Rex was found for those of the P48A mutant. The τe values of Rho residues R49 and D51 were 9.5 and 5.1 times lower than those of P48A mutant. Mutational study showed that integrin α5β1 prefers its ligands to contain (G/A)RGD but not PRGD sequences for binding. These results demonstrate that the N-terminal proline residue adjacent to the RGD motif affect its function and dynamics, which suggests that the dynamic properties of the RGD motif may be important in Rho's interaction with integrin α5β1