What can 14 CO measurements tell us about OH?

The possible use of 14CO measurements to constrain hydroxyl radical (OH) concentrations in the atmosphere is investigated. 14CO is mainly produced in the upper atmosphere from cosmic radiation. Measurements of 14CO at the surface show lower concentrations compared to the upper atmospheric source region, which is the result of oxidation by OH. In this paper, the sensitivity of 14CO mixing ratio surface measurements to the 3-D OH distribution is assessed with the TM5 model. Simulated 14CO mixing ratios agree within a few molecules 14CO cm¿3 (STP) with existing measurements at five locations worldwide. The simulated cosmogenic 14CO distribution appears mainly sensitive to the assumed upper atmospheric 14C source function, and to a lesser extend to model resolution. As a next step, the sensitivity of 14CO measurements to OH is calculated with the adjoint TM5 model. The results indicate that 14CO measurements taken in the tropics are sensitive to OH in a spatially confined region that varies strongly over time due to meteorological variability. Given measurements with an accuracy of 0.5 molecules 14CO cm¿3 STP, a good characterization of the cosmogenic 14CO fraction, and assuming perfect transport modeling, a single 14CO measurement may constrain OH to 0.2¿0.3×106 molecules OH cm¿3 on time scales of 6 months and spatial scales of 70×70 degrees (latitude×longitude) between the surface and 500 hPa. The sensitivity of 14CO measurements to high latitude OH is about a factor of five higher. This is in contrast with methyl chloroform (MCF) measurements, which show the highest sensitivity to tropical OH, mainly due to the temperature dependent rate constant of the MCF¿OH reaction. A logical next step will be the analysis of existing 14CO measurements in an inverse modeling framework. This paper presents the required mathematical framework for such an analysis

Human P450 CYP17A1: Control of Substrate Preference by Asparagine 202

CYP17A1 is a key steroidogenic enzyme known to conduct several distinct chemical transformations on multiple substrates. In its hydroxylase activity, this enzyme adds a hydroxyl group at the 17α position of both pregnenolone and progesterone at approximately equal rates. However, the subsequent 17,20 carbon–carbon scission reaction displays variable substrate specificity in the numerous CYP17A1 isozymes operating in vertebrates, manifesting as different Kd and kcat values when presented with 17α-hydroxypregnenlone (OHPREG) versus 17α-hydroxyprogesterone (OHPROG). Here we show that the identity of the residue at position 202 in human CYP17A1, thought to form a hydrogen bond with the A-ring alcohol substituent on the pregnene- nucleus, is a key driver of this enzyme’s native preference for OHPREG. Replacement of asparagine 202 with serine completely reverses the preference of CYP17A1, more than doubling the rate of turnover of the OHPROG to androstenedione reaction and substantially decreasing the rate of formation of dehydroepiandrosterone from OHPREG. In a series of resonance Raman experiments, it was observed that, in contrast with the case for the wild-type protein, in the mutant the 17α alcohol of OHPROG tends to form a H-bond with the proximal rather than terminal oxygen of the oxy–ferrous complex. When OHPREG was a substrate, the mutant enzyme was found to have a H-bonding interaction with the proximal oxygen that is substantially weaker than that of the wild type. These results demonstrate that a single-point mutation in the active site pocket of CYP17A1, even when far from the heme, has profound effects on steroidogenic selectivity in androgen biosynthesis

Stochastic Cutoff Method for Long-Range Interacting Systems

A new Monte-Carlo method for long-range interacting systems is presented. This method consists of eliminating interactions stochastically with the detailed balance condition satisfied. When a pairwise interaction $V_{ij}$ of a $N$-particle system decreases with the distance as $r_{ij}^{-\alpha}$, computational time per one Monte Carlo step is ${\cal O}(N)$ for $\alpha \ge d$ and ${\cal O}(N^{2-\alpha/d})$ for $\alpha < d$, where $d$ is the spatial dimension. We apply the method to a two-dimensional magnetic dipolar system. The method enables us to treat a huge system of $256^2$ spins with reasonable computational time, and reproduces a circular order originated from long-range dipolar interactions.Comment: 18 pages, 9 figures, 1 figure and 1 reference are adde

Multilevel blocking approach to the fermion sign problem in path-integral Monte Carlo simulations

A general algorithm toward the solution of the fermion sign problem in finite-temperature quantum Monte Carlo simulations has been formulated for discretized fermion path integrals with nearest-neighbor interactions in the Trotter direction. This multilevel approach systematically implements a simple blocking strategy in a recursive manner to synthesize the sign cancellations among different fermionic paths throughout the whole configuration space. The practical usefulness of the method is demonstrated for interacting electrons in a quantum dot.Comment: 4 pages RevTeX, incl. two figure

Dynamical simulation of transport in one-dimensional quantum wires

Transport of single-channel spinless interacting fermions (Luttinger liquid) through a barrier has been studied by numerically exact quantum Monte Carlo methods. A novel stochastic integration over the real-time paths allows for direct computation of nonequilibrium conductance and noise properties. We have examined the low-temperature scaling of the conductance in the crossover region between a very weak and an almost insulating barrier.Comment: REVTex, 4 pages, 2 uuencoded figures (submitted to Phys. Rev. Lett.

Chaplygin gas dominated anisotropic brane world cosmological models

We present exact solutions of the gravitational field equations in the generalized Randall-Sundrum model for an anisotropic brane with Bianchi type I geometry, with a generalized Chaplygin gas as matter source. The generalized Chaplygin gas, which interpolates between a high density relativistic era and a non-relativistic matter phase, is a popular dark energy candidate. For a Bianchi type I space-time brane filled with a cosmological fluid obeying the generalized Chaplygin equation of state the general solution of the gravitational field equations can be expressed in an exact parametric form, with the comoving volume taken as parameter. In the limiting cases of a stiff cosmological fluid, with pressure equal to the energy density, and for a pressureless fluid, the solution of the field equations can be expressed in an exact analytical form. The evolution of the scalar field associated to the Chaplygin fluid is also considered and the corresponding potential is obtained. The behavior of the observationally important parameters like shear, anisotropy and deceleration parameter is considered in detail.Comment: 13 pages, 6 figures, accepted for publication in PR

Slow-light optical bullets in arrays of nonlinear Bragg-grating waveguides

We demonstrate how to control independently both spatial and temporal dynamics of slow light. We reveal that specially designed nonlinear waveguide arrays with phase-shifted Bragg gratings demonstrate the frequency-independent spatial diffraction near the edge of the photonic bandgap, where the group velocity of light can be strongly reduced. We show in numerical simulations that such structures allow a great flexibility in designing and controlling dispersion characteristics, and open a way for efficient spatiotemporal self-trapping and the formation of slow-light optical bullets.Comment: 4 pages, 4 figures; available from http://link.aps.org/abstract/PRL/v97/e23390

Quintessence and cosmic acceleration

A cosmological model with perfect fluid and self-interacting quintessence field is considered in the framework of the spatially flat Friedmann-Robertson-Walker (FRW) geometry. By assuming that all physical quantities depend on the volume scale factor of the Universe, the general solution of the gravitational field equations can be expressed in an exact parametric form. The quintessence field is a free parameter. With an appropriate choice of the scalar field a class of exact solutions is obtained, with an exponential type scalar field potential fixed via the gravitational field equations. The general physical behavior of the model is consistent with the recent cosmological scenario favored by supernova Type Ia observations, indicating an accelerated expansion of the Universe.Comment: 6 pages, 3 figures, to appear in Int. J. Mod. Phys.

Renormalization Group Approach to Causal Viscous Cosmological Models

The renormalization group method is applied to the study of homogeneous and flat Friedmann-Robertson-Walker type Universes, filled with a causal bulk viscous cosmological fluid. The starting point of the study is the consideration of the scaling properties of the gravitational field equations, of the causal evolution equation of the bulk viscous pressure and of the equations of state. The requirement of scale invariance imposes strong constraints on the temporal evolution of the bulk viscosity coefficient, temperature and relaxation time, thus leading to the possibility of obtaining the bulk viscosity coefficient-energy density dependence. For a cosmological model with bulk viscosity coefficient proportional to the Hubble parameter, we perform the analysis of the renormalization group flow around the scale invariant fixed point, therefore obtaining the long time behavior of the scale factor.Comment: 19 pages. RevTeX4. Revised version. Accepted in Classical and Quantum Gravit

Finding the Center of Mass of a Soft Spring

This article shows how to use calculus to find the center of mass position of a soft cylindrical helical spring that is suspended vertically. The spring is non-uniformly stretched by the action of gravity. A general expression for the vertical position of the center of mass is obtained.Comment: LaTeX, 7 pages, 2 figures. Minor changes to agree with published versio