11,257 research outputs found
Molecular Theory of Hydrophobic Effects: ``She is too mean to have her name repeated.''
This paper reviews the molecular theory of hydrophobic effects relevant to
biomolecular structure and assembly in aqueous solution. Recent progress has
resulted in simple, validated molecular statistical thermodynamic theories and
clarification of confusing theories of decades ago. Current work is resolving
effects of wider variations of thermodynamic state, e.g. pressure denaturation
of soluble proteins, and more exotic questions such as effects of surface
chemistry in treating stability of macromolecular structures in aqueous
solutionComment: submitted to Ann. Rev. Phys. Chem., 31 pages, 245 references, 2
figure
Topological semimetal in a fermionic optical lattice
Optical lattices play a versatile role in advancing our understanding of
correlated quantum matter. The recent implementation of orbital degrees of
freedom in chequerboard and hexagonal optical lattices opens up a new thrust
towards discovering novel quantum states of matter, which have no prior analogs
in solid state electronic materials. Here, we demonstrate that an exotic
topological semimetal emerges as a parity-protected gapless state in the
orbital bands of a two-dimensional fermionic optical lattice. The new quantum
state is characterized by a parabolic band-degeneracy point with Berry flux
, in sharp contrast to the flux of Dirac points as in graphene. We
prove that the appearance of this topological liquid is universal for all
lattices with D point group symmetry as long as orbitals with opposite
parities hybridize strongly with each other and the band degeneracy is
protected by odd parity. Turning on inter-particle repulsive interactions, the
system undergoes a phase transition to a topological insulator whose
experimental signature includes chiral gapless domain-wall modes, reminiscent
of quantum Hall edge states.Comment: 6 pages, 3 figures and Supplementary Informatio
Anisotropic Radial Layout for Visualizing Centrality and Structure in Graphs
This paper presents a novel method for layout of undirected graphs, where
nodes (vertices) are constrained to lie on a set of nested, simple, closed
curves. Such a layout is useful to simultaneously display the structural
centrality and vertex distance information for graphs in many domains,
including social networks. Closed curves are a more general constraint than the
previously proposed circles, and afford our method more flexibility to preserve
vertex relationships compared to existing radial layout methods. The proposed
approach modifies the multidimensional scaling (MDS) stress to include the
estimation of a vertex depth or centrality field as well as a term that
penalizes discord between structural centrality of vertices and their alignment
with this carefully estimated field. We also propose a visualization strategy
for the proposed layout and demonstrate its effectiveness using three social
network datasets.Comment: Appears in the Proceedings of the 25th International Symposium on
Graph Drawing and Network Visualization (GD 2017
Thyrotropin releasing hormone and its cyclised C-terminal peptide inhibit thyroglobulin release from thyroid follicular cells: evidence for acute regulation of hormone production at the thyroid gland
Glucosylsphingosine Is a Highly Sensitive and Specific Biomarker for Primary Diagnostic and Follow-Up Monitoring in Gaucher Disease in a Non-Jewish, Caucasian Cohort of Gaucher Disease Patients
Gaucher disease (GD) is the most common lysosomal storage disorder (LSD). Based on a deficient β-glucocerebrosidase it leads to an accumulation of glucosylceramide. Standard diagnostic procedures include measurement of enzyme activity, genetic testing as well as analysis of chitotriosidase and CCL18/PARC as biomarkers. Even though chitotriosidase is the most well-established biomarker in GD, it is not specific for GD. Furthermore, it may be false negative in a significant percentage of GD patients due to mutation. Additionally, chitotriosidase reflects the changes in the course of the disease belatedly. This further enhances the need for a reliable biomarker, especially for the monitoring of the disease and the impact of potential treatments.Here, we evaluated the sensitivity and specificity of the previously reported biomarker Glucosylsphingosine with regard to different control groups (healthy control vs. GD carriers vs. other LSDs).Only GD patients displayed elevated levels of Glucosylsphingosine higher than 12 ng/ml whereas the comparison controls groups revealed concentrations below the pathological cut-off, verifying the specificity of Glucosylsphingosine as a biomarker for GD. In addition, we evaluated the biomarker before and during enzyme replacement therapy (ERT) in 19 patients, demonstrating a decrease in Glucosylsphingosine over time with the most pronounced reduction within the first 6 months of ERT. Furthermore, our data reveals a correlation between the medical consequence of specific mutations and Glucosylsphingosine.In summary, Glucosylsphingosine is a very promising, reliable and specific biomarker for GD
Simple models of the chemical field around swimming plankton
Background. Cervical cancer is the fourth most common cancer in women, and we recently reported human leukocyte antigen (HLA) alleles showing strong associations with cervical neoplasia risk and protection. HLA ligands are recognized by killer immunoglobulin-like receptors (KIRs) expressed on a range of immune cell subsets, governing their proinflammatory activity. We hypothesized that the inheritance of particular HLA-KIR combinations would increase cervical neoplasia risk. Methods. Here, we used HLA and KIR dosages imputed from single-nucleotide polymorphism genotype data from 2143 cervical neoplasia cases and 13 858 healthy controls of European decent. Results. The following 4 novel HLA alleles were identified in association with cervical neoplasia, owing to their linkage disequilibrium with known cervical neoplasia-associated HLA-DRB1 alleles: HLA-DRB3*9901 (odds ratio [OR], 1.24; P = 2.49 × 10−9), HLA-DRB5*0101 (OR, 1.29; P = 2.26 × 10−8), HLA-DRB5*9901 (OR, 0.77; P = 1.90 × 10−9), and HLA-DRB3*0301 (OR, 0.63; P = 4.06 × 10−5). We also found that homozygosity of HLA-C1 group alleles is a protective factor for human papillomavirus type 16 (HPV16)-related cervical neoplasia (C1/C1; OR, 0.79; P = .005). This protective association was restricted to carriers of either KIR2DL2 (OR, 0.67; P = .00045) or KIR2DS2 (OR, 0.69; P = .0006). Conclusions. Our findings suggest that HLA-C1 group alleles play a role in protecting against HPV16-related cervical neoplasia, mainly through a KIR-mediated mechanism
Evaluation of Errors Associated with Cutting-Induced Plasticity in Residual Stress Measurements Using the Contour Method
Cutting-induced plasticity can lead to elevated uncertainties in residual stress measurements made by the contour method. In this study plasticity-induced stress errors are numerically evaluated for a benchmark edge-welded beam to understand the underlying mechanism. Welding and cutting are sequentially simulated by finite element models which have been validated by previous experimental results. It is found that a cutting direction normal to the symmetry plane of the residual stress distribution can lead to a substantially asymmetrical back-calculated stress distribution, owing to cutting-induced plasticity. In general, the stresses at sample edges are most susceptible to error, particularly when the sample is restrained during cutting. Inadequate clamping (far from the plane of cut) can lead to highly concentrated plastic deformation in local regions, and consequently the back-calculated stresses have exceptionally high values and gradients at these locations. Furthermore, the overall stress distribution is skewed towards the end-of-cut side. Adequate clamping (close to the plane of cut) minimises errors in back-calculated stress which becomes insensitive to the cutting direction. For minimal constraint (i.e. solely preventing rigid body motion), the plastic deformation is relatively smoothly distributed, and an optimal cutting direction (i.e. cutting from the base material towards the weld region in a direction that falls within the residual stress symmetry plane) is identified by evaluating the magnitude of stress errors. These findings suggest that cutting process information is important for the evaluation of potential plasticity-induced errors in contour method results, and that the cutting direction and clamping strategy can be optimised with an understanding of their effects on plasticity and hence the back-calculated stresses
Biochemical systems identification by a random drift particle swarm optimization approach
BACKGROUND: Finding an efficient method to solve the parameter estimation problem (inverse problem) for nonlinear biochemical dynamical systems could help promote the functional understanding at the system level for signalling pathways. The problem is stated as a data-driven nonlinear regression problem, which is converted into a nonlinear programming problem with many nonlinear differential and algebraic constraints. Due to the typical ill conditioning and multimodality nature of the problem, it is in general difficult for gradient-based local optimization methods to obtain satisfactory solutions. To surmount this limitation, many stochastic optimization methods have been employed to find the global solution of the problem. RESULTS: This paper presents an effective search strategy for a particle swarm optimization (PSO) algorithm that enhances the ability of the algorithm for estimating the parameters of complex dynamic biochemical pathways. The proposed algorithm is a new variant of random drift particle swarm optimization (RDPSO), which is used to solve the above mentioned inverse problem and compared with other well known stochastic optimization methods. Two case studies on estimating the parameters of two nonlinear biochemical dynamic models have been taken as benchmarks, under both the noise-free and noisy simulation data scenarios. CONCLUSIONS: The experimental results show that the novel variant of RDPSO algorithm is able to successfully solve the problem and obtain solutions of better quality than other global optimization methods used for finding the solution to the inverse problems in this study
A retrospective and agenda for future research on Chinese outward foreign direct investment
Our original paper “The determinants of Chinese Outward Foreign Direct Investment” was the first
theoretically based empirical analysis of the phenomenon. It utilised internalisation theory to show that
Chinese state-owned firms reacted to home country market imperfections to surmount barriers to
foreign entry arising from naivety and the lack of obvious ownership advantages, leveraging
institutional factors including favourable policy stimuli. This special theory explained outward foreign
direct investment (OFDI) but provided surprises. These included the apparent appetite for risk evinced
by these early investors, causing us to conjecture that domestic market imperfections, particularly in
the domestic capital market, might be responsible. The article stimulated a massive subsequent, largely
successful, research effort on emerging country multinationals. In this Retrospective article we review
some of the main strands of research that ensued, for the insight they offer for the theme of our
commentary. Our theme is that theoretical development can only come through embracing yet more
challenging, different, and new contexts, and we make suggestions for future research directions
A massive, quiescent galaxy at redshift of z=3.717
In the early Universe finding massive galaxies that have stopped forming
stars present an observational challenge as their rest-frame ultraviolet
emission is negligible and they can only be reliably identified by extremely
deep near-infrared surveys. These have revealed the presence of massive,
quiescent early-type galaxies appearing in the universe as early as z2,
an epoch 3 Gyr after the Big Bang. Their age and formation processes have now
been explained by an improved generation of galaxy formation models where they
form rapidly at z3-4, consistent with the typical masses and ages derived
from their observations. Deeper surveys have now reported evidence for
populations of massive, quiescent galaxies at even higher redshifts and earlier
times, however the evidence for their existence, and redshift, has relied
entirely on coarsely sampled photometry. These early massive, quiescent
galaxies are not predicted by the latest generation of theoretical models.
Here, we report the spectroscopic confirmation of one of these galaxies at
redshift z=3.717 with a stellar mass of 1.710 M whose
absorption line spectrum shows no current star-formation and which has a
derived age of nearly half the age of the Universe at this redshift. The
observations demonstrates that the galaxy must have quickly formed the majority
of its stars within the first billion years of cosmic history in an extreme and
short starburst. This ancestral event is similar to those starting to be found
by sub-mm wavelength surveys pointing to a possible connection between these
two populations. Early formation of such massive systems is likely to require
significant revisions to our picture of early galaxy assembly.Comment: 6 pages, 7 figures. This is the final preprint corresponding closely
to the published version. Uploaded 6 months after publication in accordance
with Nature polic
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