Reflection absorption infrared spectroscopy and temperature programmed desorption investigations of the interaction of methanol with a graphite surface

Reflection absorption infrared spectroscopy (RAIRS) and temperature programmed desorption (TPD) have been used to investigate the adsorption of methanol (CH3OH) on the highly oriented pyrolytic graphite (HOPG) surface. RAIRS shows that CH3OH is physisorbed at all exposures and that crystalline CH3OH can be formed, provided that the surface temperature and coverage are high enough. It is not possible to distinguish CH3OH that is closely associated with the HOPG surface from CH3OH adsorbed in multilayers using RAIRS. In contrast, TPD data show three peaks for the desorption of CH3OH. Initial adsorption leads to the observation of a peak assigned to the desorption of a monolayer. Subsequent adsorption leads to the formation of multilayers on the surface and two TPD peaks are observed which can be assigned to the desorption of multilayer CH3OH. The first of these shows a fractional order desorption, assigned to the presence of hydrogen bonding in the overlayer. The higher temperature multilayer desorption peak is only observed following very high exposures of CH3OH to the surface and can be assigned to the desorption of crystalline CH3OH. (C) 2005 American Institute of Physics

Forming the Dusty Ring in HR 4796A

We describe planetesimal accretion calculations for the dusty ring observed in the nearby A0 star HR 4796A. Models with initial masses of 10-20 times the minimum mass solar nebula produce a ring of width 7-15 AU and height 0.3-0.6 AU at 70 AU in roughly 10 Myr. The ring has a radial optical depth of 1. These results agree with limits derived from infrared images and from the excess infrared luminosity.Comment: 6 pages, including 2 figures and 1 table; ApJ Letters, in pres

Energy Distribution in disordered elastic Networks

Disordered networks are found in many natural and artificial materials, from gels or cytoskeletal structures to metallic foams or bones. Here, the energy distribution in this type of networks is modeled, taking into account the orientation of the struts. A correlation between the orientation and the energy per unit volume is found and described as a function of the connectivity in the network and the relative bending stiffness of the struts. If one or both parameters have relatively large values, the struts aligned in the loading direction present the highest values of energy. On the contrary, if these have relatively small values, the highest values of energy can be reached in the struts oriented transversally. This result allows explaining in a simple way remodeling processes in biological materials, for example, the remodeling of trabecular bone and the reorganization in the cytoskeleton. Additionally, the correlation between the orientation, the affinity, and the bending-stretching ratio in the network is discussed

Computer simulation of protein systems

Ligand binding to dihydrofolate reductase (DHFR) is discussed. This is an extremely important enzyme, as it is the target of several drugs (inhibitors) which are used clinically as antibacterials, antiprotozoals and in cancer chemotherapy. DHFR catalyzes the NADPH (reduced nicotinamide adenine dinucleotide phosphate) dependent reduction of dihydrofolate to tetrahydrofolate, which is used in several pathways of purine and pyrimidine iosynthesis, including that of thymidylate. Since DNA synthesis is dependent on a continuing supply of thymidylate, a blockade of DHFR resulting in a depletion of thymidylate can lead to the cessation of growth of a rapidly proliferating cell line. DHFR exhibits a significant species to species variability in its sensitivity to various inhibitors. For example, trimethoprim, an inhibitor of DHFR, binds to bacterial DHFR's 5 orders of magnitude greater than to vertebrate DHFR's. The structural mechanics, dynamics and energetics of a family of dihydrofolate reductases are studied to rationalize the basis for the inhibitor of these enyzmes and to understand the molecular basis of the difference in the binding constants between the species. This involves investigating the conformational changes induced in the protein on binding the ligand, the internal strain imposed by the enzyme on the ligand, the restriction of fluctuations in atom positions due to binding and the consequent change in entropy

Critical exponents of a three dimensional O(4) spin model

By Monte Carlo simulation we study the critical exponents governing the transition of the three-dimensional classical O(4) Heisenberg model, which is considered to be in the same universality class as the finite-temperature QCD with massless two flavors. We use the single cluster algorithm and the histogram reweighting technique to obtain observables at the critical temperature. After estimating an accurate value of the inverse critical temperature \Kc=0.9360(1), we make non-perturbative estimates for various critical exponents by finite-size scaling analysis. They are in excellent agreement with those obtained with the $4-\epsilon$ expansion method with errors reduced to about halves of them.Comment: 25 pages with 8 PS figures, LaTeX, UTHEP-28

Coherent Patterning of Matter Waves with Subwavelength Localization

We propose the Subwavelength Localization via Adiabatic Passage (SLAP) technique to coherently achieve state-selective patterning of matter waves well beyond the diffraction limit. The SLAP technique consists in coupling two partially overlapping and spatially structured laser fields to three internal levels of the matter wave yielding state-selective localization at those positions where the adiabatic passage process does not occur. We show that by means of this technique matter wave localization down to the single nanometer scale can be achieved. We analyze in detail the potential implementation of the SLAP technique for nano-lithography with an atomic beam of metastable Ne* and for coherent patterning of a two-component 87Rb Bose-Einstein condensate.Comment: 6 pages, 5 figure

Two-dimensional Gross-Neveu Model with Wilson Fermion Action at Finite Temperature and Density

We analytically investigate the 2-dimensional Gross-Neveu model at finite temperature and density using Wilson fermion action. The relation between the phase structure on the lattice and that in the continuum is clarified.Comment: LATTICE98(hightemp), 3 pages, 3 eps figure

The Anomalous Hall effect in re-entrant AuFe alloys and the real space Berry phase

The Hall effect has been studied in a series of AuFe samples in the re-entrant concentration range, as well as in the spin glass range. The data demonstrate that the degree of canting of the local spins strongly modifies the anomalous Hall effect, in agreement with theoretical predictions associating canting, chirality and a real space Berry phase. The canonical parametrization of the Hall signal for magnetic conductors becomes inappropriate when local spins are canted.Comment: 4 pages, 1 eps figur