8,848 research outputs found
Chiral surfaces self-assembling in one-component systems with isotropic interactions
We show that chiral symmetry can be broken spontaneously in one-component
systems with isotropic interactions, i.e. many-particle systems having maximal
a priori symmetry. This is achieved by designing isotropic potentials that lead
to self-assembly of chiral surfaces. We demonstrate the principle on a simple
chiral lattice and on a more complex lattice with chiral super-cells. In
addition we show that the complex lattice has interesting melting behavior with
multiple morphologically distinct phases that we argue can be qualitatively
predicted from the design of the interaction.Comment: 4 pages, 4 figure
Dense loops, supersymmetry, and Goldstone phases in two dimensions
Loop models in two dimensions can be related to O(N) models. The
low-temperature dense-loops phase of such a model, or of its reformulation
using a supergroup as symmetry, can have a Goldstone broken-symmetry phase for
N<2. We argue that this phase is generic for -2< N <2 when crossings of loops
are allowed, and distinct from the model of non-crossing dense loops first
studied by Nienhuis [Phys. Rev. Lett. 49, 1062 (1982)]. Our arguments are
supported by our numerical results, and by a lattice model solved exactly by
Martins et al. [Phys. Rev. Lett. 81, 504 (1998)].Comment: RevTeX, 5 pages, 3 postscript figure
Enantioselective Thiourea-Catalyzed Additions to Oxocarbenium Ions
Asymmetric, catalytic reactions of oxocarbenium ions are reported. Simple, chiral urea and thiourea derivatives are shown to catalyze the enantioselective substitution of silyl ketene acetals onto 1-chloroisochromans. A mechanism involving anion binding by the chiral catalyst to generate a reactive oxocarbenium ion is invoked. Catalysts bearing tertiary benzylic amide groups afforded highest enantioselectivities, with the optimal structure being derived from enantioenriched 2-arylpyrrolidine derivatives
Simulations of energetic beam deposition: from picoseconds to seconds
We present a new method for simulating crystal growth by energetic beam
deposition. The method combines a Kinetic Monte-Carlo simulation for the
thermal surface diffusion with a small scale molecular dynamics simulation of
every single deposition event. We have implemented the method using the
effective medium theory as a model potential for the atomic interactions, and
present simulations for Ag/Ag(111) and Pt/Pt(111) for incoming energies up to
35 eV. The method is capable of following the growth of several monolayers at
realistic growth rates of 1 monolayer per second, correctly accounting for both
energy-induced atomic mobility and thermal surface diffusion. We find that the
energy influences island and step densities and can induce layer-by-layer
growth. We find an optimal energy for layer-by-layer growth (25 eV for Ag),
which correlates with where the net impact-induced downward interlayer
transport is at a maximum. A high step density is needed for energy induced
layer-by-layer growth, hence the effect dies away at increased temperatures,
where thermal surface diffusion reduces the step density. As part of the
development of the method, we present molecular dynamics simulations of single
atom-surface collisions on flat parts of the surface and near straight steps,
we identify microscopic mechanisms by which the energy influences the growth,
and we discuss the nature of the energy-induced atomic mobility
High resolution mapping of a novel late blight resistance gene Rpi-avll, from the wild Bolivian species Solanum avilesii
Both Mexico and South America are rich in Solanum species that might be valuable sources of resistance (R) genes to late blight (Phytophthora infestans). Here, we focus on an R gene present in the diploid Bolivian species S. avilesii. The genotype carrying the R gene was resistant to eight out of 10 Phytophthora isolates of various provenances. The identification of a resistant phenotype and the generation of a segregating population allowed the mapping of a single dominant R gene, Rpi-avl1, which is located in an R gene cluster on chromosome 11. This R gene cluster is considered as an R gene “hot spot”, containing R genes to at least five different pathogens. High resolution mapping of the Rpi-avl1 gene revealed a marker co-segregating in 3890 F1 individuals, which may be used for marker assisted selection in breeding programs and for further cloning of Rpi-avl
Bayesian Error Estimation in Density Functional Theory
We present a practical scheme for performing error estimates for Density
Functional Theory calculations. The approach which is based on ideas from
Bayesian statistics involves creating an ensemble of exchange-correlation
functionals by comparing with an experimental database of binding energies for
molecules and solids. Fluctuations within the ensemble can then be used to
estimate errors relative to experiment on calculated quantities like binding
energies, bond lengths, and vibrational frequencies. It is demonstrated that
the error bars on energy differences may vary by orders of magnitude for
different systems in good agreement with existing experience.Comment: 5 pages, 3 figure
The spin temperature of high-redshift damped Lyman- systems
We report results from a programme aimed at investigating the temperature of
neutral gas in high-redshift damped Lyman- absorbers (DLAs). This
involved (1) HI 21cm absorption studies of a large DLA sample, (2) VLBI studies
to measure the low-frequency quasar core fractions, and (3) optical/ultraviolet
spectroscopy to determine DLA metallicities and velocity widths.
Including literature data, our sample consists of 37 DLAs with estimates of
the spin temperature and the covering factor. We find a strong )
difference between the distributions in high-z (z>2.4) and low-z (z<2.4)
DLA samples. The high-z sample contains more systems with high values,
K. The distributions in DLAs and the Galaxy are also
clearly (~) different, with more high- sightlines in DLAs than in
the Milky Way. The high values in the high-z DLAs of our sample arise due
to low fractions of the cold neutral medium.
For 29 DLAs with metallicity [Z/H] estimates, we confirm the presence of an
anti-correlation between and [Z/H], at significance via a
non-parametric Kendall-tau test. This result was obtained with the assumption
that the DLA covering factor is equal to the core fraction. Monte Carlo
simulations show that the significance of the result is only marginally
decreased if the covering factor and the core fraction are uncorrelated, or if
there is a random error in the inferred covering factor.
We also find evidence for redshift evolution in DLA values even for the
z>1 sub-sample. Since z>1 DLAs have angular diameter distances comparable to or
larger than those of the background quasars, they have similar efficiency in
covering the quasars. Low covering factors in high-z DLAs thus cannot account
for the observed redshift evolution in spin temperatures. (Abstract abridged.)Comment: 37 pages, 22 figures. Accepted for publication in Monthly Notices of
the Royal Astronomical Societ
Oncologic Emergencies
This article is made available for unrestricted research re-use and secondary analysis in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic.It has been estimated that genitourinary malignancies will account for 25% of new cancer diagnoses in the United States in 2005 (Jemal et al. 2005). While the incidence of many of these malignancies has increased over the past two decades, the mortality rates appear to be decreasing. Early cancer detection combined with improvements in surgical and nonsurgical oncologic therapy account for these trends. Although not common, newly diagnosed cancer patients occasionally present in an emergent, life-threatening manner that warrants immediate medical or surgical intervention. As the prevalence of genitourinary malignancies continues to expand, additional patients can be expected to develop disease or treatment-related complications. This chapter will serve to review the diagnosis and management of oncologic emergencies as they pertain to the urologist
A microfluidic chip based model for the study of full thickness human intestinal tissue using dual flow
© 2016 Author(s). The study of inflammatory bowel disease, including Ulcerative Colitis and Crohn's Disease, has relied largely upon the use of animal or cell culture models; neither of which can represent all aspects of the human pathophysiology. Presented herein is a dual flow microfluidic device which holds full thickness human intestinal tissue in a known orientation. The luminal and serosal sides are independently perfused ex vivo with nutrients with simultaneous waste removal for up to 72 h. The microfluidic device maintains the viability and integrity of the tissue as demonstrated through Haematoxylin & Eosin staining, immunohistochemistry and release of lactate dehydrogenase. In addition, the inflammatory state remains in the tissue after perfusion on the device as determined by measuring calprotectin levels. It is anticipated that this human model will be extremely useful for studying the biology and tes ting novel interventions in diseased tissue
Minimal residual disease in breast cancer: an overview of circulating and disseminated tumour cells
Within the field of cancer research, focus on the study of minimal residual disease (MRD) in the context of carcinoma has grown exponentially over the past several years. MRD encompasses circulating tumour cells (CTCs)—cancer cells on the move via the circulatory or lymphatic system, disseminated tumour cells (DTCs)—cancer cells which have escaped into a distant site (most studies have focused on bone marrow), and resistant cancer cells surviving therapy—be they local or distant, all of which may ultimately give rise to local relapse or overt metastasis. Initial studies simply recorded the presence and number of CTCs and DTCs; however recent advances are allowing assessment of the relationship between their persistence, patient prognosis and the biological properties of MRD, leading to a better understanding of the metastatic process. Technological developments for the isolation and analysis of circulating and disseminated tumour cells continue to emerge, creating new opportunities to monitor disease progression and perhaps alter disease outcome. This review outlines our knowledge to date on both measurement and categorisation of MRD in the form of CTCs and DTCs with respect to how this relates to cancer outcomes, and the hurdles and future of research into both CTCs and DTCs
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