On the linear response and scattering of an interacting molecule-metal system

A many-body Green's function approach to the microscopic theory of plasmon-enhanced spectroscopy is presented within the context of localized surface-plasmon resonance spectroscopy and applied to investigate the coupling between quantum-molecular and classical-plasmonic resonances in monolayer-coated silver nanoparticles. Electronic propagators or Green's functions, accounting for the repeated polarization interaction between a single molecule and its image in a nearby nanoscale metal, are explicitly computed and used to construct the linear-response properties of the combined molecule-metal system to an external electromagnetic perturbation. Shifting and finite lifetime of states appear rigorously and automatically within our approach and reveal an intricate coupling between molecule and metal not fully described by previous theories. Self-consistent incorporation of this quantum-molecular response into the continuum-electromagnetic scattering of the molecule-metal target is exploited to compute the localized surface-plasmon resonance wavelength shift with respect to the bare metal from first principles.Comment: under review at Journal of Chemical Physic

Time-dependent quantum many-body theory of identical bosons in a double well: Early time ballistic interferences of fragmented and number entangled states

A time-dependent multiconfigurational self-consistent field theory is presented to describe the many-body dynamics of a gas of identical bosonic atoms confined to an external trapping potential at zero temperature from first principles. A set of generalized evolution equations are developed, through the time-dependent variational principle, which account for the complete and self-consistent coupling between the expansion coefficients of each configuration and the underlying one-body wave functions within a restricted two state Fock space basis that includes the full effects of the condensate's mean field as well as atomic correlation. The resulting dynamical equations are a classical Hamiltonian system and, by construction, form a well-defined initial value problem. They are implemented in an efficient numerical algorithm. An example is presented, highlighting the generality of the theory, in which the ballistic expansion of a fragmented condensate ground state is compared to that of a macroscopic quantum superposition state, taken here to be a highly entangled number state, upon releasing the external trapping potential. Strikingly different many-body matter-wave dynamics emerge in each case, accentuating the role of both atomic correlation and mean-field effects in the two condensate states.Comment: 16 pages, 5 figure

Finsler geodesics in the presence of a convex function and their applications

We obtain a result about the existence of only a finite number of geodesics between two fixed non-conjugate points in a Finsler manifold endowed with a convex function. We apply it to Randers and Zermelo metrics. As a by-product, we also get a result about the finiteness of the number of lightlike and timelike geodesics connecting an event to a line in a standard stationary spacetime.Comment: 16 pages, AMSLaTex. v2 is a minor revision: title changed, references updated, typos fixed; it matches the published version. This preprint and arXiv:math/0702323v3 [math.DG] substitute arXiv:math/0702323v2 [math.DG

Multiconfigurational Hartree-Fock theory for identical bosons in a double well

Multiconfigurational Hartree-Fock theory is presented and implemented in an investigation of the fragmentation of a Bose-Einstein condensate made of identical bosonic atoms in a double well potential at zero temperature. The approach builds in the effects of the condensate mean field and of atomic correlations by describing generalized many-body states that are composed of multiple configurations which incorporate atomic interactions. Nonlinear and linear optimization is utilized in conjunction with the variational and Hylleraas-Undheim theorems to find the optimal ground and excited states of the interacting system. The resulting energy spectrum and associated eigenstates are presented as a function of double well barrier height. Delocalized and localized single configurational states are found in the extreme limits of the simple and fragmented condensate ground states, while multiconfigurational states and macroscopic quantum superposition states are revealed throughout the full extent of barrier heights. Comparison is made to existing theories that either neglect mean field or correlation effects and it is found that contributions from both interactions are essential in order to obtain a robust microscopic understanding of the condensate's atomic structure throughout the fragmentation process.Comment: 21 pages, 13 figure

PRIMA-1 induces autophagy in cancer cells carrying mutant or wild type p53.

PRIMA-1 is a chemical compound identified as a growth suppressor of tumor cells expressing mutant p53. We previously found that in the MDA-MB-231 cell line expressing high level of the mutant p53-R280K protein, PRIMA-1 induced p53 ubiquitination and degradation associated to cell death. In this study, we investigated the ability of PRIMA-1 to induce autophagy in cancer cells. In MDA-MB-231 and HCT116 cells, expressing mutant or wild type p53, respectively, autophagy occurred following exposure to PRIMA-1, as shown by acridine orange staining, anti-LC3 immunofluorescence and immunoblots, as well as by electron microscopy. Autophagy was triggered also in the derivative cell lines knocked-down for p53, although to a different extent than in the parental cells expressing mutant or wild type p53. In particular, while wild type p53 limited PRIMA-1 induced autophagy, mutant p53 conversely promoted autophagy, thus sustaining cell viability following PRIMA-1 treatment. Therefore, the autophagic potential of PRIMA-1, besides being cell context dependent, could be modulated in a different way by the presence of wild type or mutant p53. Furthermore, since both cell lines lacking p53 were more sensitive to the cytotoxic effect of PRIMA-1 than the parental ones, our findings suggest that a deregulated autophagy may favor cell death induced by this drug

Effect of two different source of forage on the organic matter digestibility in Mediterranean Italian Buffalo cows

The present study aimed to evaluate the influence of two different source of forage (haysilage and hay) during the lactation on organic matter digestibility (OMD) in buffalo cows. Lactating buffaloes (n = 40) at 29.6 days in milk (DIM) were equally divided as function of previous milk yield into Group 1 (meadow hay, n = 20) and Group 2 [haysilage (Lolium multiflorum), n = 20]. The diets were isoenergetic [0.92 milk unit forage (MUF) on dry matter basis] and isoproteic (16.2 % crude protein on dry matter basis) and administred as total mixed ration (TMR). From all the buffaloes, for each group and in two sampling time (first sampling, DIM = 74.0 and second sampling, DIM = 129.0) the faeces were collected in order to evaluate the in vivo digestibility. Overall the trial, the subjects fed haysilage showed higher OMD than those fed hay (66.1 vs 45.7; P<0.01), moreover the in vivo digestibility was affected by the DIM, in particular in the group fed hay (40.6 vs 53.4; P<0.0001, respectively). This work underlines the importance of the administration of the haysilage (Lolium multiflorum) as source of high quality forage because it gives, overall the lactation, more nutritive principles compared with meadow hay

A methodology for the customization of hinged ankle-foot orthoses based on in vivo helical axis calculation with 3D printed rigid shells

This study aims to develop techniques for ankle joint kinematics analysis using motion capture based on stereophotogrammetry. The scope is to design marker attachments on the skin for a most reliable identification of the instantaneous helical axis, to be targeted for the fabrication of customized hinged ankle-foot orthoses. These attachments should limit the effects of the experimental artifacts, in particular the soft-tissue motion artifact, which affect largely the accuracy of any in vivo ankle kinematics analysis. Motion analyses were carried out on two healthy subjects wearing customized rigid shells that were designed through 3D scans of the subjects’ lower limbs and fabricated by additive manufacturing. Starting from stereophotogrammetry data collected during walking and dorsi-plantarflexion motor tasks, the instantaneous and mean helical axes of ankle joint were calculated. The customized shells matched accurately the anatomy of the subjects and allowed for the definition of rigid marker clusters that improved the accuracy of in vivo kinematic analyses. The proposed methodology was able to differentiate between subjects and between the motor tasks analyzed. The observed position and dispersion of the axes were consistent with those reported in the literature. This methodology represents an effective tool for supporting the customization of hinged ankle-foot orthoses or other devices interacting with human joints functionality

Topological classification of black Hole: Generic Maxwell set and crease set of horizon

The crease set of an event horizon or a Cauchy horizon is an important object which determines qualitative properties of the horizon. In particular, it determines the possible topologies of the spatial sections of the horizon. By Fermat's principle in geometric optics, we relate the crease set and the Maxwell set of a smooth function in the context of singularity theory. We thereby give a classification of generic topological structure of the Maxwell sets and the generic topologies of the spatial section of the horizon.Comment: 22 pages, 6 figure

Synthesis and preliminary biological profile of new NO-donor tolbutamide analogues.

We describe a new class of NO-donor hypoglycemic products obtained by joining tolbutamide, a typical hypoglycemic sulfonylurea, with a NO-donor moiety through a hard link. As NO-donors we chose either furoxan (1,2,5-oxadiazole 2-oxide) derivatives or the classical nitrooxy function. A preliminary biological characterization of these compounds, including stimulation of insulin release from cultured rat pancreatic β-cells and in vitro vasodilator and anti-aggregatory activities, is reported

The IASI Water Deficit Index to Monitor Vegetation Stress and Early Drying in Summer Heatwaves: An Application to Southern Italy

The boreal hemisphere has been experiencing increasing extreme hot and dry conditions over the past few decades, consistent with anthropogenic climate change. The continental extension of this phenomenon calls for tools and techniques capable of monitoring the global to regional scales. In this context, satellite data can satisfy the need for global coverage. The main objective we have addressed in the present paper is the capability of infrared satellite observations to monitor the vegetation stress due to increasing drought and heatwaves in summer. We have designed and implemented a new water deficit index (wdi) that exploits satellite observations in the infrared to retrieve humidity, air temperature, and surface temperature simultaneously. These three parameters are combined to provide the water deficit index. The index has been developed based on the Infrared Atmospheric Sounder Interferometer or IASI, which covers the infrared spectral range 645 to 2760 cm−1 with a sampling of 0.25 cm−1. The index has been used to study the 2017 heatwave, which hit continental Europe from May to October. In particular, we have examined southern Italy, where Mediterranean forests suffer from climate change. We have computed the index’s time series and show that it can be used to indicate the atmospheric background conditions associated with meteorological drought. We have also found a good agreement with soil moisture, which suggests that the persistence of an anomalously high water deficit index was an essential driver of the rapid development and evolution of the exceptionally severe 2017 droughts