47 research outputs found
Political Conflict and Power-sharing in the Origins of Modern Colombia
In this paper we present historical evidence and a theoretical analysis of the origins of political stability and instability in Colombia for the period 1850-1950, and their relationship to political, particularly electoral, institutions. We show that the driving force behind institutional change over this period, specifically the move to proportional representation (PR), was the desire of the Conservative and Liberal parties to come up with a way of credibly dividing power to avoid civil war and conflict, a force intensified by the brutal conflict of the War of a Thousand days between 1899 and 1902. The problem with majoritarian electoral institutions was that they did not allocate power in a way which matched the support of the parties in the population, thus encouraging conflict. The strategic advantage of PR was that it avoided such under-representation. The parties however could not initially move to PR because it was not `fraud proof' so instead, in 1905, adopted the "incomplete vote" which simply allocated 2/3 of the legislative seats to the winning party and 1/3 to the loser. This formula brought peace. The switch to PR arose when the Liberals became confident that they could solve problems of fraud. But it only happened because they were able to exploit a division within the Conservatives. The switch also possibly reflected a concern with the rising support for socialism and the desire to divide power more broadly. Our findings shed new light on the origins of electoral systems and the nature of political conflict and its resolution.
Efficient Quantum Trajectory Representation of Wavefunctions Evolving in Imaginary Time
The Boltzmann evolution of a wavefunction can be recast as imaginary-time dynamics of the quantum trajectory ensemble. The quantum effects arise from the momentum-dependent quantum potential â computed approximately to be practical in high-dimensional systems â influencing the trajectories in addition to the external classical potential [S. Garashchuk, J. Chem. Phys.132, 014112 (2010)]. For a nodelesswavefunction represented as Ï(x, t) = expâ( â S(x, t)/â) with the trajectory momenta defined by âS(x, t), analysis of the Lagrangian and Eulerian evolution shows that for bound potentials the former is more accurate while the latter is more practical because the Lagrangian quantum trajectories diverge with time. Introduction of stationary and time-dependent components into the wavefunction representation generates new Lagrangian-type dynamics where the trajectory spreading is controlled improving efficiency of the trajectory description. As an illustration, different types of dynamics are used to compute zero-point energy of a strongly anharmonic well and low-lying eigenstates of a high-dimensional coupled harmonic system
Approximate Quantum Trajectory Method for Modeling Chemical Reaction Dynamics: Application to Enzymatic Proton Transfer
Molecular dynamics simulations, providing a detailed picture of the reaction mechanism, is an essential tool for theoretical and experimental chemists. In these simulations the nuclei are typically treated as classical particles, but under some conditions (low energies and temperatures, processes involving multiple electronic states) a classical description is inappropriate. Quantum effects of nuclear motion, such as tunneling and zero-point energy can play an important role in determining a reaction mechanism, yet exact quantum dynamics methods are limited to reactive systems of just 3-4 atoms. Central to this work is the development and implementations of an efficient trajectory-based methodology, in which the dominant quantum effects of nuclear motion are included through an approximate quantum potential term. A combination of quantum and classical nuclei can be evolved within this approach under the Hamiltonian or Boltzmann operators.
This quantum trajectory (QT) method is applied to the proton transfer in the enzymatic active site of soybean lipoxygenase-1. Experimental evidence suggests that this proton transfer step proceeds by a quantum tunneling mechanism. First, the reaction was examined as occurring within fixed substrate configurations at zero temperature, and the primary H/D kinetic isotope effect was in agreement with exact quantum and experimental results. Next, taking advantage of QT features, the effects of temperature and substrate motion were included into the simulation. Vibrational motion of the linoleic acid substrate was incorporated through on-the-fly density-functional tight-binding (DFTB) electronic structure (ES) calculations. This motion was found to modestly enhance the reaction across the temperatures of 250-350 K, and in a similar fashion for proton and deuteron. Through application of the quantum-mechanical flux operator and imaginary time evolution, the temperature was incorporated into the proton wavefunction. The experimentally observed weak temperature-dependence of the kinetic isotope effect was reproduced and is understood largely as an effect of the quantum partition function. Ideal scaling of the QTES-DFTB code with respect to the number of computing cores (typically run on thousands of cores), makes the developed methodology and code practical to chemical systems of up to 200 atoms
Two-Dimensional Magnetohydrodynamic Simulations of Barred Galaxies
Barred galaxies are known to possess magnetic fields that may affect the
properties of bar substructures such as dust lanes and nuclear rings. We use
two-dimensional high-resolution magnetohydrodynamic (MHD) simulations to
investigate the effects of magnetic fields on the formation and evolution of
such substructures as well as on the mass inflow rates to the galaxy center.
The gaseous medium is assumed to be infinitesimally-thin, isothermal,
non-self-gravitating, and threaded by initially uniform, azimuthal magnetic
fields. We find that there exists an outermost x1-orbit relative to which
gaseous responses to an imposed stellar bar potential are completely different
between inside and outside. Inside this orbit, gas is shocked into dust lanes
and infalls to form a nuclear ring. Magnetic fields are compressed in dust
lanes, reducing their peak density. Magnetic stress removes further angular
momentum of the gas at the shocks, temporarily causing the dust lanes to bend
into an 'L' shape and eventually leading to a smaller and more centrally
distributed ring than in unmagnetized models. The mass inflow rates in
magnetized models correspondingly become larger, by more than two orders of
magnitude when the initial fields have an equipartition value with thermal
energy, than in the unmagnetized counterparts. Outside the outermost x1-orbit,
on the other hand, an MHD dynamo due to the combined action of the bar
potential and background shear operates near the corotation and bar-end
regions, efficiently amplifying magnetic fields. The amplified fields shape
into trailing magnetic arms with strong fields and low density. The base of the
magnetic arms has a thin layer in which magnetic fields with opposite polarity
reconnect via a tearing-mode instability. This produces numerous magnetic
islands with large density which propagate along the arms to turn the outer
disk into a highly chaotic state.Comment: 22 pages, 19 figures, 3 tables; Accepted for publication in the ApJ;
Version with full-resolution figures available at
http://mirzam.snu.ac.kr/~wkim/Bar/mhdbar.pd
Study of star formation in NGC 1084
We present UBVRI broad band, H narrow band photometry of the star
forming complexes in the infra-red bright galaxy NGC 1084. Results of medium
resolution spectroscopy of some of the brighter complexes are also discussed.
Spectroscopic data is used to better estimate the internal reddening within the
galaxy which is found to be highly variable and to calculate metallicity which
is close to the solar value. Diagnostic diagram identifies the shocked regions
within this galaxy. The narrow band H flux and its equivalent width are
used to determine the star formation rates of the complexes and the
distribution of ages. Star formation rates for a few of the complexes are found
to be as high as 0.5 /year. The star forming complexes lie in the
age range 3 Myr to 6.5 Myr. U-B vs V-I colour-colour mixed population model
created using the Starburst99 model colours is used to estimate the ages of the
stellar populations present within these regions. Using this technique, it is
found that the star formation in NGC 1084 has taken place in a series of short
bursts over the last 40 Myr or so. It is proposed that the likely trigger for
enhanced star formation is merger with a gas rich dwarf galaxy.Comment: 9 figures and 6 tables, Accepted in MNRAS for publicatio
Ozone production and its sensitivity to NOx and VOCs: results from the DISCOVER-AQ field experiment, Houston 2013
Partial funding for Open Access provided by the UMD Libraries' Open Access Publishing Fund.An observation-constrained box model based on the Carbon Bond mechanism, version 5 (CB05), was used to study photochemical processes along the NASA P-3B flight track and spirals over eight surface sites during the September 2013 Houston, Texas deployment of the NASA Deriving Information on Surface Conditions from COlumn and VERtically Resolved Observations Relevant to Air Quality (DISCOVER-AQ) campaign. Data from this campaign provided an opportunity to examine and improve our understanding of atmospheric photochemical oxidation processes related to the formation of secondary air pollutants such as ozone (O3). O3 production and its sensitivity to NOx and volatile organic compounds (VOCs) were calculated at different locations and times of day. Ozone production efficiency (OPE), defined as the ratio of the ozone production rate to the NOx oxidation rate, was calculated using the observations and the simulation results of the box and Community Multiscale Air Quality (CMAQ) models. Correlations of these results with other parameters, such as radical sources and NOx mixing ratio, were also evaluated. It was generally found that O3 production tends to be more VOC-sensitive in the morning along with high ozone production rates, suggesting that control of VOCs may be an effective way to control O3 in Houston. In the afternoon, O3 production was found to be mainly NOx-sensitive with some exceptions. O3 production near major emissions sources such as Deer Park was mostly VOC-sensitive for the entire day, other urban areas near Moody Tower and Channelview were VOC-sensitive or in the transition regime, and areas farther from downtown Houston such as Smith Point and Conroe were mostly NOx-sensitive for the entire day. It was also found that the control of NOx emissions has reduced O3 concentrations over Houston but has led to larger OPE values. The results from this work strengthen our understanding of O3 production; they indicate that controlling NOx emissions will provide air quality benefits over the greater Houston metropolitan area in the long run, but in selected areas controlling VOC emissions will also be beneficial
Central Regions of Barred Galaxies: Two-Dimensional Non-self-gravitating Hydrodynamic Simulations
The inner regions of barred galaxies contain substructures such as off-axis
shocks, nuclear rings, and nuclear spirals. These substructure may affect star
formation, and control the activity of a central black hole (BH) by determining
the mass inflow rate. We investigate the formation and properties of such
substructures using high-resolution, grid-based hydrodynamic simulations. The
gaseous medium is assumed to be infinitesimally-thin, isothermal, and
non-self-gravitating. The stars and dark matter are represented by a static
gravitational potential with four components: a stellar disk, the bulge, a
central BH, and the bar. To investigate various galactic environments, we vary
the gas sound speed c_s as well as the mass of the central BH M_BH. Once the
flow has reached a quasi-steady state, off-axis shocks tend to move closer to
the bar major axis as c_s increases. Nuclear rings shrink in size with
increasing c_s, but are independent of M_BH, suggesting that ring position is
not determined by the Lindblad resonances. Rings in low-c_s models are narrow
since they are occupied largely by gas on x2-orbits and well decoupled from
nuclear spirals, while they become broad because of large thermal perturbations
in high-c_s models. Nuclear spirals persist only when either c_s is small or
M_BH is large; they would otherwise be destroyed completely by the ring
material on eccentric orbits. The shape and strength of nuclear spirals depend
sensitively on c_s and M_BH such that they are leading if both c_s and M_BH are
small, weak trailing if c_s is small and M_BH is large, and strong trailing if
both c_s and M_BH are large. While the mass inflow rate toward the nucleus is
quite small in low-c_s models because of the presence of a narrow nuclear ring,
it becomes larger than 0.01 Msun/yr when c_s is large, providing a potential
explanation of nuclear activity in Seyfert galaxies.Comment: Accepted for publication in the ApJ; Version with full-resolution
figures available at http://mirzam.snu.ac.kr/~wkim/Bar/bar.pd
Synthesis, self-assembly, and immunological activity of α-galactose-functionalized dendronâlipid amphiphiles
Nanoassemblies presenting multivalent displays of biologically active carbohydrates are of significant interest for a wide array of biomedical applications ranging from drug delivery to immunotherapy. In this study, glycodendronâlipid hybrids were developed as a new and tunable class of dendritic amphiphiles. A modular synthesis was used to prepare dendronâlipid hybrids comprising distearylglycerol and 0 through 4th generation polyester dendrons with peripheral protected amines. Following deprotection of the amines, an isothiocyanate derivative of C-linked α-galactose (α-Gal) was conjugated to the dendron peripheries, affording amphiphiles with 1 to 16 α-Gal moieties. Self-assembly in water through a solvent exchange process resulted in vesicles for the 0 through 2nd generation systems and micelles for the 3rd and 4th generation systems. The critical aggregation concentrations decreased with increasing dendron generation, suggesting that the effects of increasing molar mass dominated over the effects of increasing the hydrophilic weight fraction. The binding of the assemblies to Griffonia simplicifolia Lectin I (GSL 1), a protein with specificity for α-Gal was studied by quantifying the binding of fluorescently labeled assemblies to GSL 1-coated beads. It was found that binding was enhanced for amphiphiles containing higher generation dendrons. Despite their substantial structural differences with the natural ligands for the CD1d receptor, the glycodendronâlipid hybrids were capable of stimulating invariant natural killer T (iNKT) cells, a class of innate-like T cells that recognize lipid and glycolipid antigens presented by CD1d and that are implicated in a wide range of diseases and conditions including but not limited to infectious diseases, diabetes and cancer
Cancer Treatment and Bone Health
Considerable advances in oncology over recent decades have led to improved survival, while raising concerns about long-term consequences of anticancer treatments. In patients with breast or prostate malignancies, bone health is a major issue due to the high risk of bone metastases and the frequent prolonged use of hormone therapies that alter physiological bone turnover, leading to increased fracture risk. Thus, the onset of cancer treatment-induced bone loss (CTIBL) should be considered by clinicians and recent guidelines should be routinely applied to these patients. In particular, baseline and periodic follow-up evaluations of bone health parameters enable the identification of patients at high risk of osteoporosis and fractures, which can be prevented by the use of bone-targeting agents (BTAs), calcium and vitamin D supplementation and modifications of lifestyle. This review will focus upon the pathophysiology of breast and prostate cancer treatment-induced bone loss and the most recent evidence about effective preventive and therapeutic strategies