Long time scale molecular dynamics using least action

We present here an efficient method for evaluating molecular trajectories over long time scales. The method is based on optimisation of the path action defined by classical mechanics. We test the technique on non-trivial examples drawn from the literature and discuss the effectiveness of this approach in the study of molecular processes. Many of the present techniques for calculating molecular trajectories are limited computationally. Standard forward integration of Newton's equations of motion yields accurate results for a range of systems whose transition times are many orders of magnitude less than most biologically interesting processes. If one wants to extend these calculations to biologically relevant time scales, it is necessary to develop methodologies which avoid this limitation. The process outlined in this paper has been tested on simple systems using harmonic and Lennard--Jones potential energy functions. The algorithm yields stable trajectories and is adjustable to suite available computational resources. In theory, this algorithm is applicable to any molecular system where the initial and final states are known. This could include investigation of chemical reactions, ligand/receptor binding and work cycles of molecular machinery

Recent developments in radiative B decays

We report on recent theoretical progress in radiative B decays. We focus on a calculation of logarithmically enhanced QED corrections to the branching ratio and forward-backward asymmetry in the inclusive rare decay anti-B --> X(s) l+ l-, and present the results of a detailed phenomenological analysis. We also report on the calculation of NNLO QCD corrections to the inclusive decay anti-B --> X(s) gamma. As far as exclusive modes are concerned we consider transversity amplitudes and the impact of right-handed currents in the exclusive anti-B --> K^* l+ l- decay. Finally, we state results for exclusive B --> V gamma decays, notably the time-dependent CP-asymmetry in the exclusive B --> K^* gamma decay and its potential to serve as a so-called ``null test'' of the Standard Model, and the extraction of CKM and unitarity triangle parameters from B --> (rho,omega) gamma and B --> K^* gamma decays.Comment: 5 pages, 2 figures. Accepted for publication in the proceedings of International Europhysics Conference on High Energy Physics (EPS-HEP2007), Manchester, England, 19-25 Jul 200

Asteroseismic classification of stellar populations among 13000 red giants observed by Kepler

Of the more than 150000 targets followed by the Kepler Mission, about 10% were selected as red giants. Due to their high scientific value, in particular for Galaxy population studies and stellar structure and evolution, their Kepler light curves were made public in late 2011. More than 13000 (over 85%) of these stars show intrinsic flux variability caused by solar-like oscillations making them ideal for large scale asteroseismic investigations. We automatically extracted individual frequencies and measured the period spacings of the dipole modes in nearly every red giant. These measurements naturally classify the stars into various populations, such as the red giant branch, the low-mass (M/Msol 1.8) secondary clump. The period spacings also reveal that a large fraction of the stars show rotationally induced frequency splittings. This sample of stars will undoubtedly provide an extremely valuable source for studying the stellar population in the direction of the Kepler field, in particular when combined with complementary spectroscopic surveys.Comment: 6 page, 5 figures, accepted by ApJ

Eluate derived by extracorporal antibody-based immunoadsorption elevates the cytosolic Ca2+ concentration in podocytes via B-2 kinin receptors

Background/Aim: Patients with idiopathic focal segmental glomerulosclerosis (FSGS) often develop a recurrence of the disease after kidney transplantation. In a number of FSGS patients, plasmapheresis and immunoadsorption procedures have been shown to transiently reduce proteinuria and are thought to do this by eliminating a circulating factor. Direct cellular effects of eluates from immunoadsorption procedures on podocytes, the primary target of injury in FSGS, have not yet been reported. Methods: Eluates were derived from antibody-based immunoadsorption of a patient suffering from primary FSGS, a patient with systemic lupus erythematosus, and a healthy volunteer. The cytosolic free Ca2+ concentration ({[}Ca2+](i)) of differentiated podocytes was measured by single-cell fura-2 microfluorescence measurements. Free and total immunoreactive kinin levels were measured by radioimmunoassay. Results: FSGS eluates increased the {[}Ca2+](i) levels concentration dependently (EC50 0.14 mg/ml; n = 3-19). 1 mg/ml eluate increased the {[}Ca2+](i) values reversibly from 82 +/- 12 to 1,462 +/- 370 nmol/l, and then they returned back to 100 16 nmol/l (n = 19). The eluate-induced increase of {[}Ca2+](i) consisted of an initial Ca2+ peak followed by a Ca2+ plateau which depended on the extracellular Ca2+ concentration. The eluate-induced increase of {[}Ca2+](i) was inhibited by the specific B-2 kinin receptor antagonist Hoe 140 in a concentration-dependent manner (IC50 2.47 nmol/l). In addition, prior repetitive application of bradykinin desensitized the effect of eluate on {[}Ca2+](i). A colonic epithelial cell line not reacting to bradykinin did not respond to eluate either (n = 6). Similar to FSGS eluates, the eluate preparations of both the systemic lupus patient and the healthy volunteer led to a biphasic, concentration-dependent {[}Ca2+](i) increase in poclocytes which again was inhibited by Hoe 140. Free kinins were detected in all eluate preparations. Conclusion: The procedure of antibody-based immunoadsorption leads to kinin in the eluate which elevates the {[}Ca2+](i) level of podocytes via B-2 kinin receptors. Copyright (C) 2002 S. Karger AG, Basel

Cosmological Constant, Gauge Hierarchy and Warped Geometry

It is suggested that the mechanism responsible for the resolution of the gauge hierarchy problem within the warped geometry framework can be generalized to provide a new explanation of the extremely tiny vacuum energy density rho_V suggested by recent observations. We illustrate the mechanism with some 5D examples in which the true vacuum energy is assumed to vanish, and rho_V is associated with a false vacuum energy such that rho_V^{1/4} ~ TeV^2/M_{Pl} ~ 10^{-3} eV, where M_{Pl} denotes the reduced Planck mass. We also consider a quintessence-like solution to the dark energy problem.Comment: 10 pages, LaTeX, 2 figures, section on quantum corrections added, version to appear in Phys. Rev.

Comparison of Howland and General Impedance Converter (GIC) circuit based current sources for bio-impedance measurements

The current source is a key component in bio-impedance measurement systems. The accuracy of the current source can be measured in terms of its output impedance together with other parameters, with certain applications demanding extremely high output impedance. This paper presents an investigation and comparison of different current source designs based on the Enhanced Howland circuit combined with a General Impedance Converter (GIC) circuit using both ideal and non-ideal operational amplifiers. Under differing load conditions two different settings of the GIC are evaluated and the results are compared to show its performance settings. Whilst the study has shown that over a wide bandwidth (i.e. 100Hz-100MHz) the output impedance is limited, operation over a more limited range offers output impedance in the Giga-ohm range, which can be considered as being infinite

Green Up-Conversion Continuous-Wave Er3+Liyf4 Laser At Room-Temperature

We report room-temperature upconversion pumped continuous wave laser emission of 1% Er3+:LiYF4 at 551 nm excited by a Ti:sapphire laser at 810 nm. Output powers of up to 40 mW with output coupling of 6.6% have been obtained by using nearly concentric resonator design

Decoquinate, Lasalocid and Monensin for starter feeds and the performance of Holstein calves to 20 weeks of age.

The large utilization of coccidiostats in dairy herds has raised the question regards the best product to use, based on better animal performance. Sixty-four Holstein calves were randomly assigned to four treatments at 10 (±4) d of age to evaluate calf performance when fed approved coccidiostats available on the market in Arizona, USA. Calves received a dry calf starter without (control) or with one of the following coccidiostats: lasalocid, 30 mg kg-1 ; decoquinate, 19 mg kg-1 ; and monensin, 30 mg kg-1 . Calves received 3.6 kg d-1 of a commercial 22% CP:20% fat milk replacer until 6 wk of age. Calves were offered starter ìad libitumî up to 2 kg d -1 , and calves had free access to water throughout the trial. Alfalfa hay was offered ìad libitumî after weaning. Performance and dry matter intake (DMI) were monitored for 20 weeks and broken down in different periods of measurement (0-6, 7-12 and 13-20 weeks, respectively). Despite the lower dry matter intake and weight gain for females on monensin treatment during the whole period, differences among coccidiostats were seldom observed under the conditions of this study. Good calf management and the dry, hot climate of Arizona perhaps diminished the chances for subclinical and chronic disease appearance which negated potential differences and differences in calf performances.Made available in DSpace on 2011-04-09T21:54:28Z (GMT). No. of bitstreams: 1 PROCICMBN2002.00081.PDF: 117469 bytes, checksum: 436088352eb9fe8b5b3215f7a835d81c (MD5) Previous issue date: 2003-07-3