Structure-function relations in phosphorylcholine-binding mouse myeloma proteins

The binding site interactions between the phosphorylcholine (phosphocholine)-binding mouse myeloma proteins TEPC 15, W3207, McPC 603, MOPC 167, and MOPC 511 and the isotopically substituted hapten phosphoryl-[methyl-13C]choline have been investigated using 13C and 31P nuclear magnetic resonance (NMR) spectroscopy. Each protein exhibits a unique NMR pattern, but extensive similarities in chemical shift parameters upon binding of hapten to immunoglobulin suggest a significant degree of conservation of important hapten-binding site interactions. Moreover, independent binding studies, in conjunction with the NMR data, allow construction of a simple model of the binding sites of these antibodies, analyzed in terms of the relative strength of interaction between hapten and two main subsites. The NMR evidence supports the view that the heavy chains of these proteins dominate in interacting with bound phosphorylcholine; the various subspecificities of these proteins for phosphorylcholine analogues can be accounted for by amino acid changes in the hypervariable regions of the heavy chains

A projection method for statics and dynamics of lattice spin systems

A method based on Monte Carlo sampling of the probability flows projected onto the subspace of one or more slow variables is proposed for investigation of dynamic and static properties of lattice spin systems. We illustrate the method by applying it, with projection onto the order-parameter subspace, to the three-dimensional 3-state Potts model in equilibrium and to metastable decay in a three-dimensional 3-state kinetic Potts model.Comment: 4 pages, 3 figures, RevTex, final version to appear in Phys. Rev. Let

The effect of parallel static and microwave electric fields on excited hydrogen atoms

Motivated by recent experiments we analyse the classical dynamics of a hydrogen atom in parallel static and microwave electric fields. Using an appropriate representation and averaging approximations we show that resonant ionisation is controlled by a separatrix, and provide necessary conditions for a dynamical resonance to affect the ionisation probability. The position of the dynamical resonance is computed using a high-order perturbation series, and estimate its radius of convergence. We show that the position of the dynamical resonance does not coincide precisely with the ionisation maxima, and that the field switch-on time can dramatically affect the ionisation signal which, for long switch times, reflects the shape of an incipient homoclinic. Similarly, the resonance ionisation time can reflect the time-scale of the separatrix motion, which is therefore longer than conventional static field Stark ionisation. We explain why these effects should be observed in the quantum dynamics. PACs: 32.80.Rm, 33.40.+f, 34.10.+x, 05.45.Ac, 05.45.MtComment: 47 pages, 20 figure

Outer-Sphere Effects on Reduction Potentials of Copper Sites in Proteins: The Curious Case of High Potential Type 2 C112D/M121E Pseudomonas aeruginosa Azurin

Redox and spectroscopic (electronic absorption, multifrequency electron paramagnetic resonance (EPR), and X-ray absorption) properties together with X-ray crystal structures are reported for the type 2 Cu^(II) C112D/M121E variant of Pseudomonas aeruginosa azurin. The results suggest that Cu^(II) is constrained from interaction with the proximal glutamate; this structural frustration implies a “rack” mechanism for the 290 mV (vs NHE) reduction potential measured at neutral pH. At high pH (~9), hydrogen bonding in the outer coordination sphere is perturbed to allow axial glutamate ligation to Cu^(II), with a decrease in potential to 119 mV. These results highlight the role played by outer-sphere interactions, and the structural constraints they impose, in determining the redox behavior of transition metal protein cofactors

Magnetization switching in nanoscale ferromagnetic grains: simulations with heterogeneous nucleation

We present results obtained with various types of heterogeneous nucleation in a kinetic Ising model of magnetization switching in single-domain ferromagnetic nanoparticles. We investigate the effect of the presence of the system boundary and make comparison with simulations on periodic lattices. We also study systems with bulk disorder and compare how two different types of disorder influence the switching behavior.Comment: 3 pages, 4 Postscript figure

Direct and indirect selection on flowering time, water-use efficiency (WUE, δ (13)C), and WUE plasticity to drought in Arabidopsis thaliana.

Flowering time and water-use efficiency (WUE) are two ecological traits that are important for plant drought response. To understand the evolutionary significance of natural genetic variation in flowering time, WUE, and WUE plasticity to drought in Arabidopsis thaliana, we addressed the following questions: (1) How are ecophysiological traits genetically correlated within and between different soil moisture environments? (2) Does terminal drought select for early flowering and drought escape? (3) Is WUE plasticity to drought adaptive and/or costly? We measured a suite of ecophysiological and reproductive traits on 234 spring flowering accessions of A. thaliana grown in well-watered and season-ending soil drying treatments, and quantified patterns of genetic variation, correlation, and selection within each treatment. WUE and flowering time were consistently positively genetically correlated. WUE was correlated with WUE plasticity, but the direction changed between treatments. Selection generally favored early flowering and low WUE, with drought favoring earlier flowering significantly more than well-watered conditions. Selection for lower WUE was marginally stronger under drought. There were no net fitness costs of WUE plasticity. WUE plasticity (per se) was globally neutral, but locally favored under drought. Strong genetic correlation between WUE and flowering time may facilitate the evolution of drought escape, or constrain independent evolution of these traits. Terminal drought favored drought escape in these spring flowering accessions of A. thaliana. WUE plasticity may be favored over completely fixed development in environments with periodic drought

Charge trapping in polymer transistors probed by terahertz spectroscopy and scanning probe potentiometry

Terahertz time-domain spectroscopy and scanning probe potentiometry were used to investigate charge trapping in polymer field-effect transistors fabricated on a silicon gate. The hole density in the transistor channel was determined from the reduction in the transmitted terahertz radiation under an applied gate voltage. Prolonged device operation creates an exponential decay in the differential terahertz transmission, compatible with an increase in the density of trapped holes in the polymer channel. Taken in combination with scanning probe potentionmetry measurements, these results indicate that device degradation is largely a consequence of hole trapping, rather than of changes to the mobility of free holes in the polymer.Comment: 4 pages, 3 figure