1,353 research outputs found
Phase behavior of a system of particles with core collapse
The pressure-temperature phase diagram of a one-component system, with
particles interacting through a spherically symmetric pair potential in two
dimensions is studied. The interaction consists of a hard core plus an
additional repulsion at low energies. It is shown that at zero temperature,
instead of the expected isostructural transition due to core collapse occurring
when increasing pressure, the system passes through a series of ground states
that are not triangular lattices. In particular, and depending on parameters,
structures with squares, chains, hexagons and even quasicrystalline ground
states are found. At finite temperatures the solid-fluid coexistence line
presents a zone with negative slope (which implies melting with decreasing in
volume) and the fluid phase has a temperature of maximum density, similar to
that in water.Comment: 11 pages, 15 figures included. To appear in PRE. Some figures in low
quality format. Better ones available upon request from [email protected]
Human P450 CYP17A1: Control of Substrate Preference by Asparagine 202
CYP17A1 is a key steroidogenic enzyme known to conduct several distinct chemical transformations on multiple substrates. In its hydroxylase activity, this enzyme adds a hydroxyl group at the 17α position of both pregnenolone and progesterone at approximately equal rates. However, the subsequent 17,20 carbon–carbon scission reaction displays variable substrate specificity in the numerous CYP17A1 isozymes operating in vertebrates, manifesting as different Kd and kcat values when presented with 17α-hydroxypregnenlone (OHPREG) versus 17α-hydroxyprogesterone (OHPROG). Here we show that the identity of the residue at position 202 in human CYP17A1, thought to form a hydrogen bond with the A-ring alcohol substituent on the pregnene- nucleus, is a key driver of this enzyme’s native preference for OHPREG. Replacement of asparagine 202 with serine completely reverses the preference of CYP17A1, more than doubling the rate of turnover of the OHPROG to androstenedione reaction and substantially decreasing the rate of formation of dehydroepiandrosterone from OHPREG. In a series of resonance Raman experiments, it was observed that, in contrast with the case for the wild-type protein, in the mutant the 17α alcohol of OHPROG tends to form a H-bond with the proximal rather than terminal oxygen of the oxy–ferrous complex. When OHPREG was a substrate, the mutant enzyme was found to have a H-bonding interaction with the proximal oxygen that is substantially weaker than that of the wild type. These results demonstrate that a single-point mutation in the active site pocket of CYP17A1, even when far from the heme, has profound effects on steroidogenic selectivity in androgen biosynthesis
The Explanatory Value of Abstracting Away from Idiosyncratic and Messy Detail
Some explanations are relatively abstract: they abstract away from the idiosyncratic or messy details of the case in hand. The received wisdom in philosophy is that this is a virtue for any explanation to possess. I argue that the apparent consensus on this point is illusory. When philosophers make this claim, they differ on which of four alternative varieties of abstractness they have in mind. What's more, for each variety of abstractness there are several alternative reasons to think that the variety of abstractness in question is a virtue. I identify the most promising reasons, and dismiss some others. The paper concludes by relating this discussion to the idea that explanations in biology, psychology and social science cannot be replaced by relatively micro explanations without loss of understanding.This work has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP7/2007-2013)/ERC Grant agreement no 284123.This is the author accepted manuscript. The final version is available from Springer via http://dx.doi.org/10.1007/s11098-015-0554-
Detecting Sarcasm in Multimodal Social Platforms
Sarcasm is a peculiar form of sentiment expression, where the surface
sentiment differs from the implied sentiment. The detection of sarcasm in
social media platforms has been applied in the past mainly to textual
utterances where lexical indicators (such as interjections and intensifiers),
linguistic markers, and contextual information (such as user profiles, or past
conversations) were used to detect the sarcastic tone. However, modern social
media platforms allow to create multimodal messages where audiovisual content
is integrated with the text, making the analysis of a mode in isolation
partial. In our work, we first study the relationship between the textual and
visual aspects in multimodal posts from three major social media platforms,
i.e., Instagram, Tumblr and Twitter, and we run a crowdsourcing task to
quantify the extent to which images are perceived as necessary by human
annotators. Moreover, we propose two different computational frameworks to
detect sarcasm that integrate the textual and visual modalities. The first
approach exploits visual semantics trained on an external dataset, and
concatenates the semantics features with state-of-the-art textual features. The
second method adapts a visual neural network initialized with parameters
trained on ImageNet to multimodal sarcastic posts. Results show the positive
effect of combining modalities for the detection of sarcasm across platforms
and methods.Comment: 10 pages, 3 figures, final version published in the Proceedings of
ACM Multimedia 201
Liquid State Anomalies for the Stell-Hemmer Core-Softened Potential
We study the Stell-Hemmer potential using both analytic (exact and
approximate ) solutions and numerical simulations. We observe in the
liquid phase an anomalous decrease in specific volume and isothermal
compressibility upon heating, and an anomalous increase in the diffusion
coefficient with pressure. We relate the anomalies to the existence of two
different local structures in the liquid phase. Our results are consistent with
the possibility of a low temperature/high pressure liquid-liquid phase
transition.Comment: 4 pages in one gzipped ps file including 11 figures; One RevTex and
11 gzipped eps figure
Metastable liquid-liquid phase transition in a single-component system with only one crystal phase and no density anomaly
We investigate the phase behavior of a single-component system in 3
dimensions with spherically-symmetric, pairwise-additive, soft-core
interactions with an attractive well at a long distance, a repulsive soft-core
shoulder at an intermediate distance, and a hard-core repulsion at a short
distance, similar to potentials used to describe liquid systems such as
colloids, protein solutions, or liquid metals. We showed [Nature {\bf 409}, 692
(2001)] that, even with no evidences of the density anomaly, the phase diagram
has two first-order fluid-fluid phase transitions, one ending in a
gas--low-density liquid (LDL) critical point, and the other in a
gas--high-density liquid (HDL) critical point, with a LDL-HDL phase transition
at low temperatures. Here we use integral equation calculations to explore the
3-parameter space of the soft-core potential and we perform molecular dynamics
simulations in the interesting region of parameters. For the equilibrium phase
diagram we analyze the structure of the crystal phase and find that, within the
considered range of densities, the structure is independent of the density.
Then, we analyze in detail the fluid metastable phases and, by explicit
thermodynamic calculation in the supercooled phase, we show the absence of the
density anomaly. We suggest that this absence is related to the presence of
only one stable crystal structure.Comment: 15 pages, 21 figure
Does consumer protection enhance disclosure credibility in reward crowdfunding?
We study how the interplay of disclosure and regulation shapes capital allocation in reward crowdfunding. Using data from Kickstarter, the largest online reward crowdfunding platform, we show that, even in the absence of clear regulation and enforcement mechanisms, disclosure helps entrepreneurs access capital for their projects and bolsters engagement with potential project backers, consistent with the notion that disclosure mitigates moral hazard. We further document that, subsequent to a change in Kickstarter’s terms of use that increases the threat of consumer litigation, the association between project funding and disclosure becomes stronger. This evidence suggests that consumer protection regulation enhances the perceived credibility of disclosure. We find the effect of the change in terms of use to be more pronounced in states with stricter consumer protection regulations. Taken together, our findings yield important insights on the role of disclosure, as well as on the potential effects of increased regulation on crowdfunding platforms
Liquid-Liquid Phase Transition for an Attractive Isotropic Potential with Wide Repulsive Range
Recent experimental and theoretical results have shown the existence of a
liquid-liquid phase transition in isotropic systems, such as biological
solutions and colloids, whose interaction can be represented via an effective
potential with a repulsive soft-core and an attractive part. We investigate how
the phase diagram of a schematic general isotropic system, interacting via a
soft-core squared attractive potential, changes by varying the parameters of
the potential. It has been shown that this potential has a phase diagram with a
liquid-liquid phase transition in addition to the standard gas-liquid phase
transition and that, for a short-range soft-core, the phase diagram resulting
from molecular dynamics simulations can be interpreted through a modified van
der Waals equation. Here we consider the case of soft-core ranges comparable
with or larger than the hard-core diameter. Because an analysis using molecular
dynamics simulations of such systems or potentials is too time-demanding, we
adopt an integral equation approach in the hypernetted-chain approximation.
Thus we can estimate how the temperature and density of both critical points
depend on the potential's parameters for large soft-core ranges. The present
results confirm and extend our previous analysis, showing that this potential
has two fluid-fluid critical points that are well separated in temperature and
in density only if there is a balance between the attractive and repulsive part
of the potential. We find that for large soft-core ranges our results satisfy a
simple relation between the potential's parameters
Stable Propagation of a Burst Through a One-Dimensional Homogeneous Excitatory Chain Model of Songbird Nucleus HVC
We demonstrate numerically that a brief burst consisting of two to six spikes
can propagate in a stable manner through a one-dimensional homogeneous
feedforward chain of non-bursting neurons with excitatory synaptic connections.
Our results are obtained for two kinds of neuronal models, leaky
integrate-and-fire (LIF) neurons and Hodgkin-Huxley (HH) neurons with five
conductances. Over a range of parameters such as the maximum synaptic
conductance, both kinds of chains are found to have multiple attractors of
propagating bursts, with each attractor being distinguished by the number of
spikes and total duration of the propagating burst. These results make
plausible the hypothesis that sparse precisely-timed sequential bursts observed
in projection neurons of nucleus HVC of a singing zebra finch are intrinsic and
causally related.Comment: 13 pages, 6 figure
Sound-propagation gap in fluid mixtures
We discuss the behavior of the extended sound modes of a dense binary
hard-sphere mixture. In a dense simple hard-sphere fluid the Enskog theory
predicts a gap in the sound propagation at large wave vectors. In a binary
mixture the gap is only present for low concentrations of one of the two
species. At intermediate concentrations sound modes are always propagating.
This behavior is not affected by the mass difference of the two species, but it
only depends on the packing fractions. The gap is absent when the packing
fractions are comparable and the mixture structurally resembles a metallic
glass.Comment: Published; withdrawn since ordering in archive gives misleading
impression of new publicatio
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