1,081 research outputs found
Structure and phase behavior of colloidal dumbbells with tunable attractive interactions
We investigate thermodynamic and structural properties of colloidal dumbbells
in the framework provided by the Reference Interaction Site Model (RISM) theory
of molecular fluids and Monte Carlo simulations. We consider two different
models: in the first one we set identical square-well attractions on the two
tangent spheres composing the molecule (SW-SW model); in the second scheme, one
of square-well interactions is switched off (HS-SW model). Appreciable
differences emerge between the physical properties of the two models.
Specifically, the behavior of SW-SW structure factors points
to the presence of a gas-liquid coexistence, as confirmed by subsequent fluid
phase equilibria calculations. Conversely, the HS-SW develops a low-
peak, signaling the presence of aggregates; such a process destabilizes the
gas-liquid phase separation, promoting at low temperatures the formation of a
cluster phase, whose structure depends on the system density. We further
investigate such differences by studying the phase behavior of a series of
intermediate models, obtained from the original SW-SW by progressively reducing
the depth of one square-well interaction. RISM structural predictions
positively reproduce the simulation data, including the rise of ) in
the SW-SW model and the low- peak in the HS-SW structure factor. As for the
phase behavior, RISM agrees with Monte Carlo simulations in predicting a
gas-liquid coexistence for the SW-SW model (though the critical parameters
appears overestimated by the theory) and its progressive disappearance moving
toward the HS-SW model.Comment: 12 pages, 13 figures, 1 table, 78 reference
L’analisi delle simbolizzazioni affettive delle Aree Naturali Protette per un turismo responsabile. Il caso studio delle Riserva Naturale Orientata dello Zingaro.
ABSTRACT
This paper presents a research on responsible tourism in protected areas, through the case study of Zingaro Nature Reserve (Sicily). The main objectives of this study were to examine the so-called collusive processes elaborated by different stakeholder of natural protected area and to propose strategies and guidelines for intervention in the perspective of sustainable development and responsible use of the local tourist activities, based on the results. The methodology applied was Emotional Analysis of the Text (EAT) that allowed to investigate the emotional representations and the expectations of stakeholders, through the study of co-occurrances of the so-called dense words, using the statistical software for textual analysis T-LAB
Doctors at Risk: A Problem As Viewed by Decision Analysis
The authors closely analyze a case in which a Peer Review Organization cited a physician for treatment with potential for significant adverse effect. They also critique the regulatory scheme under which peer review occurs and conclude that such regulation interferes with physicians\u27 primary obligations, fails to encourage cost-effective behavior and may decrease the quality of medical care
Theory and simulation of short-range models of globular protein solutions
We report theoretical and simulation studies of phase coexistence in model
globular protein solutions, based on short-range, central, pair potential
representations of the interaction among macro-particles. After reviewing our
previous investigations of hard-core Yukawa and generalised Lennard-Jones
potentials, we report more recent results obtained within a DLVO-like
description of lysozyme solutions in water and added salt. We show that a
one-parameter fit of this model based on Static Light Scattering and
Self-Interaction Chromatography data in the dilute protein regime, yields
demixing and crystallization curves in good agreement with experimental
protein-rich/protein-poor and solubility envelopes. The dependence of cloud and
solubility points temperature of the model on the ionic strength is also
investigated. Our findings highlight the minimal assumptions on the properties
of the microscopic interaction sufficient for a satisfactory reproduction of
the phase diagram topology of globular protein solutions.Comment: 17 pages, 8 figures, Proc. of Conference "Structural Arrest
Transitions in Colloidal Systems with Short-Range Attractions", Messina
(ITALY) 17-20 December 200
Infinite compressibility states in the Hierarchical Reference Theory of fluids. II. Numerical evidence
Continuing our investigation into the Hierarchical Reference Theory of fluids
for thermodynamic states of infinite isothermal compressibility kappa[T] we now
turn to the available numerical evidence to elucidate the character of the
partial differential equation: Of the three scenarios identified previously,
only the assumption of the equations turning stiff when building up the
divergence of kappa[T] allows for a satisfactory interpretation of the data. In
addition to the asymptotic regime where the arguments of part I
(cond-mat/0308467) directly apply, a similar mechanism is identified that gives
rise to transient stiffness at intermediate cutoff for low enough temperature.
Heuristic arguments point to a connection between the form of the Fourier
transform of the perturbational part of the interaction potential and the
cutoff where finite difference approximations of the differential equation
cease to be applicable, and they highlight the rather special standing of the
hard-core Yukawa potential as regards the severity of the computational
difficulties.Comment: J. Stat. Phys., in press. Minor changes to match published versio
Mycobacterium tuberculosis Drives Expansion of Low-Density Neutrophils Equipped With Regulatory Activities
In human tuberculosis (TB) neutrophils represent the most commonly infected phagocyte but their role in protection and pathology is highly contradictory. Moreover, a subset of low-density neutrophils (LDNs) has been identified in TB, but their functions remain unclear. Here, we have analyzed total neutrophils and their low-density and normal-density (NDNs) subsets in patients with active TB disease, in terms of frequency, phenotype, functional features, and gene expression signature. Full-blood counts from Healthy Donors (H.D.), Latent TB infected, active TB, and cured TB patients were performed. Frequency, phenotype, burst activity, and suppressor T cell activity of the two different subsets were assessed by flow cytometry while NETosis and phagocytosis were evaluated by confocal microscopy. Expression analysis was performed by using the semi-quantitative RT-PCR array technology. Elevated numbers of total neutrophils and a high neutrophil/lymphocyte ratio distinguished patients with active TB from all the other groups. PBMCs of patients with active TB disease contained elevated percentages of LDNs compared with those of H.D., with an increased expression of CD66b, CD33, CD15, and CD16 compared to NDNs. Transcriptomic analysis of LDNs and NDNs purified from the peripheral blood of TB patients identified 12 genes differentially expressed: CCL5, CCR5, CD4, IL10, LYZ, and STAT4 were upregulated, while CXCL8, IFNAR1, NFKB1A, STAT1, TICAM1, and TNF were downregulated in LDNs, as compared to NDNs. Differently than NDNs, LDNs failed to phagocyte live Mycobacterium tuberculosis (M. tuberculosis) bacilli, to make oxidative burst and NETosis, but caused significant suppression of antigen-specific and polyclonal T cell proliferation which was partially mediated by IL-10. These insights add a little dowel of knowledge in understanding the pathogenesis of human TB
Theoretical description of phase coexistence in model C60
We have investigated the phase diagram of the Girifalco model of C60
fullerene in the framework provided by the MHNC and the SCOZA liquid state
theories, and by a Perturbation Theory (PT), for the free energy of the solid
phase. We present an extended assessment of such theories as set against a
recent Monte Carlo study of the same model [D. Costa et al, J. Chem. Phys.
118:304 (2003)]. We have compared the theoretical predictions with the
corresponding simulation results for several thermodynamic properties. Then we
have determined the phase diagram of the model, by using either the SCOZA, or
the MHNC, or the PT predictions for one of the coexisting phases, and the
simulation data for the other phase, in order to separately ascertain the
accuracy of each theory. It turns out that the overall appearance of the phase
portrait is reproduced fairly well by all theories, with remarkable accuracy as
for the melting line and the solid-vapor equilibrium. The MHNC and SCOZA
results for the liquid-vapor coexistence, as well as for the corresponding
critical points, are quite accurate. All results are discussed in terms of the
basic assumptions underlying each theory. We have selected the MHNC for the
fluid and the first-order PT for the solid phase, as the most accurate tools to
investigate the phase behavior of the model in terms of purely theoretical
approaches. The overall results appear as a robust benchmark for further
theoretical investigations on higher order C(n>60) fullerenes, as well as on
other fullerene-related materials, whose description can be based on a
modelization similar to that adopted in this work.Comment: RevTeX4, 15 pages, 7 figures; submitted to Phys. Rev.
Ab initio study of the vapour-liquid critical point of a symmetrical binary fluid mixture
A microscopic approach to the investigation of the behaviour of a symmetrical
binary fluid mixture in the vicinity of the vapour-liquid critical point is
proposed. It is shown that the problem can be reduced to the calculation of the
partition function of a 3D Ising model in an external field. For a square-well
symmetrical binary mixture we calculate the parameters of the critical point as
functions of the microscopic parameter r measuring the relative strength of
interactions between the particles of dissimilar and similar species. The
calculations are performed at intermediate () and moderately long
() intermolecular potential ranges. The obtained results agree
well with the ones of computer simulations.Comment: 14 pages, Latex2e, 5 eps-figures included, submitted to
J.Phys:Cond.Ma
Novel Approaches towards Highly Selective Self-Powered Gas Sensors
The prevailing design approaches of semiconductor gas sensors struggle to overcome most of their current limitations such as poor selectivity, and high power consumption. Herein, a new sensing concept based on devices that are capable of detecting gases without the need of any external power sources required to activate interaction of gases with sensor or to generate the sensor read out signal. Based on the integration of complementary functionalities (namely; powering and sensing) in a singular nanostructure, self-sustained gas sensors will be demonstrated. Moreover, a rational methodology to design organic surface functionalization that provide high selectivity towards single gas species will also be discussed. Specifically, theoretical results, confirmed experimentally, indicate that precisely tuning of the sterical and electronic structure of sensor material/organic interfaces can lead to unprecedented selectivity values, comparable to those typical of bioselective processes. Finally, an integrated gas sensor that combine both the self-powering and selective detection strategies in one single device will also be presented. © 2015 Published by Elsevier Ltd.Peer ReviewedPostprint (published version
Indoor Fast Neutron Generator for Biophysical and Electronic Applications
This study focuses the attention on an indoor fast neutron generator for biophysical and electronic applications. More specifically, the findings obtained by several simulations with the MCNP Monte Carlo code, necessary for the realization of a shield for indoor measurements, are presented. Furthermore, an evaluation of the neutron spectrum modification caused by the shielding is reported. Fast neutron generators are a valid and interesting available source of neutrons, increasingly employed in a wide range of research fields, such as science and engineering. The employed portable pulsed neutron source is a MP320 Thermo Scientific neutron generator, able to generate 2.5 MeV neutrons with a neutron yield of 2.0 x 106 n/s, a pulse rate of 250 Hz to 20 KHz and a duty factor varying from 5% to 100%. The neutron generator, based on Deuterium-Deuterium nuclear fusion reactions, is employed in conjunction with a solid-state photon detector, made of n-type high-purity germanium (PINS-GMX by ORTEC) and it is mainly addressed to biophysical and electronic studies. The present study showed a proposal for the realization of a shield necessary for indoor applications for MP320 neutron generator, with a particular analysis of the transport of neutrons simulated with Monte Carlo code and described the two main lines of research in which the source will be used
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