117 research outputs found
Molecular dynamics study of accelerated ion-induced shock waves in biological media
We present a molecular dynamics study of the effects of carbon- and iron-ion induced shock waves in DNA duplexes in liquid water. We use the CHARMM force field implemented within the MBN Explorer simulation package to optimize and equilibrate DNA duplexes in liquid water boxes of different sizes and shapes. The translational and vibrational degrees of freedom of water molecules are excited according to the energy deposited by the ions and the subsequent shock waves in liquid water are simulated. The pressure waves generated are studied and compared with an analytical hydrodynamics model which serves as a benchmark for evaluating the suitability of the simulation boxes. The energy deposition in the DNA backbone bonds is also monitored as an estimation of biological damage, something which is not possible with the analytical model
Semiclassical Trace Formulas for Noninteracting Identical Particles
We extend the Gutzwiller trace formula to systems of noninteracting identical
particles. The standard relation for isolated orbits does not apply since the
energy of each particle is separately conserved causing the periodic orbits to
occur in continuous families. The identical nature of the particles also
introduces discrete permutational symmetries. We exploit the formalism of
Creagh and Littlejohn [Phys. Rev. A 44, 836 (1991)], who have studied
semiclassical dynamics in the presence of continuous symmetries, to derive
many-body trace formulas for the full and symmetry-reduced densities of states.
Numerical studies of the three-particle cardioid billiard are used to
explicitly illustrate and test the results of the theory.Comment: 29 pages, 11 figures, submitted to PR
Three disks in a row: A two-dimensional scattering analog of the double-well problem
We investigate the scattering off three nonoverlapping disks equidistantly
spaced along a line in the two-dimensional plane with the radii of the outer
disks equal and the radius of the inner disk varied. This system is a
two-dimensional scattering analog to the double-well-potential (bound state)
problem in one dimension. In both systems the symmetry splittings between
symmetric and antisymmetric states or resonances, respectively, have to be
traced back to tunneling effects, as semiclassically the geometrical periodic
orbits have no contact with the vertical symmetry axis. We construct the
leading semiclassical ``creeping'' orbits that are responsible for the symmetry
splitting of the resonances in this system. The collinear three-disk-system is
not only one of the simplest but also one of the most effective systems for
detecting creeping phenomena. While in symmetrically placed n-disk systems
creeping corrections affect the subleading resonances, they here alone
determine the symmetry splitting of the 3-disk resonances in the semiclassical
calculation. It should therefore be considered as a paradigm for the study of
creeping effects. PACS numbers: 03.65.Sq, 03.20.+i, 05.45.+bComment: replaced with published version (minor misprints corrected and
references updated); 23 pages, LaTeX plus 8 Postscript figures, uses
epsfig.sty, espf.sty, and epsf.te
Innovative solutions to novel drug development in mental health
There are many new advances in neuroscience and mental health which should lead to a greater understanding of the neurobiological dysfunction in neuropsychiatric disorders and new developments for early, effective treatments. To do this, a biomarker approach combining genetic, neuroimaging, cognitive and other biological measures is needed. The aim of this article is to highlight novel approaches for pharmacological and non-pharmacological treatment development. This article suggests approaches that can be taken in the future including novel mechanisms with preliminary clinical validation to provide a toolbox for mechanistic studies and also examples of translation and back-translation. The review also emphasizes the need for clinician-scientists to be trained in a novel way in order to equip them with the conceptual and experimental techniques required, and emphasizes the need for private-public partnership and pre-competitive knowledge exchange. This should lead the way for important new holistic treatment developments to improve cognition, functional outcome and well-being of people with neuropsychiatric disorders
A shooting algorithm for problems with singular arcs
In this article we propose a shooting algorithm for a class of optimal
control problems for which all control variables appear linearly. The shooting
system has, in the general case, more equations than unknowns and the
Gauss-Newton method is used to compute a zero of the shooting function. This
shooting algorithm is locally quadratically convergent if the derivative of the
shooting function is one-to-one at the solution. The main result of this paper
is to show that the latter holds whenever a sufficient condition for weak
optimality is satisfied. We note that this condition is very close to a second
order necessary condition. For the case when the shooting system can be reduced
to one having the same number of unknowns and equations (square system) we
prove that the mentioned sufficient condition guarantees the stability of the
optimal solution under small perturbations and the invertibility of the
Jacobian matrix of the shooting function associated to the perturbed problem.
We present numerical tests that validate our method.Comment: No. RR-7763 (2011); Journal of Optimization, Theory and Applications,
published as 'Online first', January 201
Tissue culture of ornamental cacti
Cacti species are plants that are well adapted to growing in arid and semiarid regions where the main problem is water availability. Cacti have developed a series of adaptations to cope with water scarcity, such as reduced leaf surface via morphological modifications including spines, cereous cuticles, extended root systems and stem tissue modifications to increase water storage, and crassulacean acid metabolism to reduce transpiration and water loss. Furthermore, seeds of these plants very often exhibit dormancy, a phenomenon that helps to prevent germination when the availability of water is reduced. In general, cactus species exhibit a low growth rate that makes their rapid propagation difficult. Cacti are much appreciated as ornamental plants due to their great variety and diversity of forms and their beautiful short-life flowers; however, due to difficulties in propagating them rapidly to meet market demand, they are very often over-collected in their natural habitats, which leads to numerous species being threatened, endangered or becoming extinct. Therefore, plant tissue culture techniques may facilitate their propagation over a shorter time period than conventional techniques used for commercial purposes; or may help to recover populations of endangered or threatened species for their re-introduction in the wild; or may also be of value to the preservation and conservation of the genetic resources of this important family. Herein we present the state-of-the-art of tissue culture techniques used for ornamental cacti and selected suggestions for solving a number of the problems faced by members of the Cactaceae family
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