A Left-handed β Helix Revealed by the Crystal Structure of a Carbonic Anhydrase from the Archaeon Methanosarcina thermophila

A carbonic anhydrase from the thermophilic archaeon Methanosarcina thermophila that exhibits no significant sequence similarity to known carbonic anhydrases has recently been characterized. Here we present the structure of this enzyme, which adopts a left-handed parallel β-helix fold. This fold is of particular interest since it contains only left-handed crossover connections between the parallel β-strands, which so far have been observed very infrequently. The active form of the enzyme is a trimer with three zinc-containing active sites, each located at the interface between two monomers. While the arrangement of active site groups differs between this enzyme and the carbonic anhydrases from higher vertebrates, there are structural similarities in the zinc coordination environment, suggestive of convergent evolution dictated by the chemical requirements for catalysis of the same reaction. Based on sequence similarities, the structure of this enzyme is the prototype of a new class of carbonic anhydrases with representatives in all three phylogenetic domains of life

Superconductor-to-Normal Phase Transition in a Vortex Glass Model: Numerical Evidence for a New Percolation Universality Class

The three-dimensional strongly screened vortex-glass model is studied numerically using methods from combinatorial optimization. We focus on the effect of disorder strength on the ground state and found the existence of a disorder-driven normal-to-superconducting phase transition. The transition turns out to be a geometrical phase transition with percolating vortex loops in the ground state configuration. We determine the critical exponents and provide evidence for a new universality class of correlated percolation.Comment: 11 pages LaTeX using IOPART.cls, 11 eps-figures include

Dynamics and Transport in Random Antiferromagnetic Spin Chains

We present the first results on the low-frequency dynamical and transport properties of random antiferromagnetic spin chains at low temperature ($T$). We obtain the momentum and frequency dependent dynamic structure factor in the Random Singlet (RS) phases of both spin-1/2 and spin-1 chains, as well as in the Random Dimer phase of spin-1/2 chains. We also show that the RS phases are unusual `spin-metals' with divergent low-frequency conductivity at T=0, and follow the spin conductivity through `metal-insulator' transitions tuned by the strength of dimerization or Ising anisotropy in the spin-1/2 case, and by the strength of disorder in the spin-1 case.Comment: 4 pages (two-column format). Presentation substantially revised to accomodate new result

Spin-filter effect of the europium chalcogenides: An exactly solved many-body model

A model Hamiltonian is introduced which considers the main features of the experimental spin filter situation as s-f interaction, planar geometry and the strong external electric field. The proposed many-body model can be solved analytically and exactly using Green functions. The spin polarization of the field-emitted electrons is expressed in terms of spin-flip probabilities, which on their part are put down to the exactly known dynamic quantities of the system. The calculated electron spin polarization shows remarkable dependencies on the electron velocity perpendicular to the emitting plane and the strength of s-f coupling. Experimentally observed polarization values of about 90% are well understood within the framework of the proposed model.Comment: accepted (Physical Review B); 10 pages, 11 figures; http://orion.physik.hu-berlin.de

Molybdenum-cofactor-containing enzymes: structure and mechanism

Molybdenum-containing enzymes catalyze basic metabolic reactions in the nitrogen, sulfur, and carbon cycles. With the exception of the nitrogenase cofactor, molybdenum is incorporated into proteins as the molybdenum cofactor that contains a mononuclear molybdenum atom coordinated to the sulfur atoms of a pterin derivative named molybdopterin. Certain microorganisms can also utilize tungsten in a similar fashion. Molybdenum-cofactor-containing enzymes catalyze the transfer of an oxygen atom, ultimately derived from or incorporated into water, to or from a substrate in a two-electron redox reaction. On the basis of sequence alignments and spectroscopic properties, four families of molybdenum-cofactor-containing enzymes have been identified. The available crystallographic structures for members of these families are discussed within the framework of the active site structure and catalytic mechanisms of molybdenum-cofactor-containing enzymes. Although the function of the molybdopterin ligand has not yet been conclusively established, interactions of this ligand with the coordinated metal are sensitive to the oxidation state, indicating that the molybdopterin may be directly involved in the enzymatic mechanism

Directed geometrical worm algorithm applied to the quantum rotor model

We discuss the implementation of a directed geometrical worm algorithm for the study of quantum link-current models. In this algorithm Monte Carlo updates are made through the biased reptation of a worm through the lattice. A directed algorithm is an algorithm where, during the construction of the worm, the probability for erasing the immediately preceding part of the worm, when adding a new part,is minimal. We introduce a simple numerical procedure for minimizing this probability. The procedure only depends on appropriately defined local probabilities and should be generally applicable. Furthermore we show how correlation functions, C(r,tau) can be straightforwardly obtained from the probability of a worm to reach a site (r,tau) away from its starting point independent of whether or not a directed version of the algorithm is used. Detailed analytical proofs of the validity of the Monte Carlo algorithms are presented for both the directed and un-directed geometrical worm algorithms. Results for auto-correlation times and Green functions are presented for the quantum rotor model.Comment: 11 pages, 9 figures, v2 : Additional results and data calculated at an incorrect chemical potential replaced. Conclusions unchange

Phase diagram of a Disordered Boson Hubbard Model in Two Dimensions

We study the zero-temperature phase transition of a two-dimensional disordered boson Hubbard model. The phase diagram of this model is constructed in terms of the disorder strength and the chemical potential. Via quantum Monte Carlo simulations, we find a multicritical line separating the weak-disorder regime, where a random potential is irrelevant, from the strong-disorder regime. In the weak-disorder regime, the Mott-insulator-to-superfluid transition occurs, while, in the strong-disorder regime, the Bose-glass-to-superfluid transition occurs. On the multicritical line, the insulator-to-superfluid transition has the dynamical critical exponent $z=1.35 \pm 0.05$ and the correlation length critical exponent $\nu=0.67 \pm 0.03$, that are different from the values for the transitions off the line. We suggest that the proliferation of the particle-hole pairs screens out the weak disorder effects.Comment: 4 pages, 4 figures, to be published in PR

Atomic Bose and Anderson glasses in optical lattices

An ultra cold atomic Bose gas in an optical lattice is shown to provide an ideal system for the controlled analysis of disordered Bose lattice gases. This goal may be easily achieved under the current experimental conditions, by introducing a pseudo-random potential created by a second additional lattice or, alternatively, by placing a speckle pattern on the main lattice. We show that for a non commensurable filling factor, in the strong interaction limit, a controlled growing of the disorder drives a dynamical transition from superfluid to Bose-glass phase. Similarly, in the weak interaction limit, a dynamical transition from superfluid to Anderson-glass phase may be observed. In both regimes, we show that even very low-intensity disorder-inducing lasers cause large modifications of the superfluid fraction of the system.Comment: 4 pages, 3 figures. Minor changes. To appear in Phys. Rev. Lett. (2003

A crystallographic view of the molybdenum cofactor

The molybdenum cofactor (Moco) has been found to be associated with a diverse set of redox enzymes and contains a mononuclear molybdenum or tungsten ion co-ordinated by the dithiolene sulfurs of one or two molybdopterin {a pterin [2-amino-4(1H)-pteridinone] derivative} ligands. The remaining co-ordination sites on the metal are occupied by non-protein oxygen or sulfur species and, occasionally, amino acid side chains. The molybdopterin ligand can exhibit oxidation-state-dependent changes in structure and metal co-ordination, and may also interact with other redox groups in the enzyme. These observations suggest that the molybdopterin may participate in the various electron-transfer reactions associated with the catalytic mechanism of Moco containing enzymes