An importance sampling algorithm for generating exact eigenstates of the nuclear Hamiltonian

We endow a recently devised algorithm for generating exact eigensolutions of large matrices with an importance sampling, which is in control of the extent and accuracy of the truncation of their dimensions. We made several tests on typical nuclei using a correlated basis obtained from partitioning the shell model space. The sampling so implemented allows not only for a substantial reduction of the shell model space but also for an extrapolation to exact eigenvalues and E2 strengths.Comment: A compressed file composed of a text in latex of 19 pages and 9 figures in p

Complete breakdown of the Debye model of rotational relaxation near the isotropic-nematic phase boundary: Effects of intermolecular correlations in orientational dynamics

The Debye-Stokes-Einstein (DSE) model of rotational diffusion predicts that the rotational correlation times $\tau_{l}$ vary as $[l(l+1)]^{-1}$, where $l$ is the rank of the orientational correlation function (given in terms of the Legendre polynomial of rank $l$). One often finds significant deviation from this prediction, in either direction. In supercooled molecular liquids where the ratio $\tau_{1}/\tau_{2}$ falls considerably below three (the Debye limit), one usually invokes a jump diffusion model to explain the approach of the ratio $\tau_{1}/\tau_{2}$ to unity. Here we show in a computer simulation study of a standard model system for thermotropic liquid crystals that this ratio becomes much less than unity as the isotropic-nematic phase boundary is approached from the isotropic side. Simultaneously, the ratio $\tau_2/\eta$ (where $\eta$ is the shear viscosity of the liquid) becomes {\it much larger} than hydrodynamic value near the I-N transition. We have also analyzed the break down of the Debye model of rotational diffusion in ratios of higher order rotational correlation times. We show that the break down of the DSE model is due to the growth of orientational pair correlation and provide a mode coupling theory analysis to explain the results.Comment: Submitted to Physical Review

Proton-Neutron Interaction near Closed Shells

Odd-odd nuclei around double shell closures are a direct source of information on the proton-neutron interaction between valence nucleons. We have performed shell-model calculations for doubly odd nuclei close to $^{208}$Pb, $^{132}$Sn and $^{100}$Sn using realistic effective interactions derived from the CD-Bonn nucleon-nucleon potential. The calculated results are compared with the available experimental data, attention being focused on particle-hole and particle-particle multiplets. While a good agreement is obtained for all the nuclei considered, a detailed analysis of the matrix elements of the effective interaction shows that a stronger core-polarization contribution seems to be needed in the particle-particle case.Comment: 8 pages, 6 figures, Proccedings of the International Conference "Nuclear Structure and Related Topics", Dubna, Russia, September 2-6, 2003, to be published in Yadernaia Fizika (Physics of Atomic Nuclei

INTRA-DUODENAL RELEASE OF A BITTER COMPOUND DECREASES CALORIC INTAKE IN HEALTHY VOLUNTEERS

Background and aim: α-gustducin and bitter taste receptors (T2R) are expressed both in the oral cavity and in the gastrointestinal (GI) tract. Experimental data showed that bitter tastants induce the release of gut hormones from enteroendocrine cells in the gut, suggesting a possible role of bitter taste receptors in the control of food intake and GI functions. We aimed to test the effects of a bitter taste receptor agonist on food intake and GI feelings. Material and methods: We enrolled 19 healthy subjects (9 males, age 27±7, BMI 24±6) in a double-blind placebo controlled study. Each subject randomly received an acid-resistant capsule containing placebo or 18 mg of quinine HCl. 60 minutes after capsule administration, the subjects underwent to an ad libitum test, until the maximum satiation. Meal test was composed by white bread, cheese and meat cream (89 kcal/portion: 50% carbohydrate, 31% fat, 19% protein). Caloric intake, meal duration and satiation levels, scored on a Visual Analogue Scale (VAS) were calculated at the end of the meal test. A questionnaire assessing GI sensations (bloating, fullness, nausea, epigastric discomfort and hunger) was administered before and at the end of the test. Data (mean ± SD) were compared by using paired t test. Results: No oral bitter sensation or side effects was observed both with quinine HCland placebo. No significant differences in terms of GI sensations and hunger feelings were observed between the two sessions of the study. The amount of calories ingested was significantly lower when subjects received quinine HCl than placebo (564±262 vs 667±278 kcal; p=0.02). Conversely, quinine HCl did not affect the meal duration (14.4±4.2 vs 16.6±4.6 min; p=NS) and the satiationintensity (82 vs 82 mm; p=NS). Conclusions: The intra-duodenal release of a bitter compound significantly decreases caloric intake in an ad libitum test meal without affecting GI sensations and hunger feeling. As the bitter compound does not influence meal duration, we hypothesize that quinine HCl decreases the caloric intake by affecting the rate of meal portions consumption. Evaluation of gut hormones kinetics and studies with other bitter taste receptor agonist are needed to establish the role of gastrointestinal bitter taste receptor in the control of food intak

Modified conjugated gradient method for diagonalising large matrices

We present an iterative method to diagonalise large matrices. The basic idea is the same as the conjugated gradient (CG) method, i.e, minimizing the Rayleigh quotient via its gradient and avoiding reintroduce errors to the directions of previous gradients. Each iteration step is to find lowest eigenvector of the matrix in a subspace spanned by the current trial vector and the corresponding gradient of the Rayleigh quotient, as well as some previous trial vectors. The gradient, together with the previous trail vectors, play a similar role of the conjugated gradient of the original CG algorithm. Our numeric tests indicate that this method converges significantly faster than the original CG method. And the computational cost of one iteration step is about the same as the original CG method. It is suitably for first principle calculations.Comment: 6 Pages, 2EPS figures. (To appear in Phys. Rev. E

Ab-initio calculation of the 6Li{}^6Li binding energy with the Hybrid Multideterminant scheme

We perform an ab-initio calculation for the binding energy of ${}^6Li$ using the CD-Bonn 2000 NN potential renormalized with the Lee-Suzuki method. The many-body approach to the problem is the Hybrid Multideterminant method. The results indicate a binding energy of about $31 MeV$, within a few hundreds KeV uncertainty. The center of mass diagnostics are also discussed.Comment: 18 pages with 3 figures. More calculations added, to be published in EPJ

Patchy Amphiphilic Dendrimers Bind Adenovirus and Control Its Host Interactions and in Vivo Distribution

The surface of proteins is heterogeneous with sophisticated but precise hydrophobic and hydrophilic patches, which is essential for their diverse biological functions. To emulate such distinct surface patterns on macromolecules, we used rigid spherical synthetic dendrimers (polyphenylene dendrimers) to provide controlled amphiphilic surface patches with molecular precision. We identified an,. I optimal spatial arrangement of these patches on certain dendrimers that enabled their interaction with human adenovirus 5 (Ads). Patchy dendrimers bound to the surface of Ads formed a synthetic polymer corona that greatly altered various host interactions of Ads as well as in vivo distribution. The dendrimer corona (1) improved the ability of Ad5-derived gene transfer vectors to transduce cells deficient for the primary Ad5 cell membrane receptor and (2) modulated the binding of Ads to blood coagulation factor X, one of the most critical virus host interactions in the bloodstream. It significantly enhanced the transduction efficiency of Ad5 while also protecting it from neutralization by natural antibodies and the complement system in human whole blood. Ads with a synthetic dendrimer corona revealed profoundly altered in vivo distribution, improved transduction of heart, and dampened vector sequestration by liver and spleen. We propose the design of bioactive polymers that bind protein surfaces solely based on their amphiphilic surface patches and protect against a naturally occurring protein corona, which is highly attractive to improve Ad5-based in vivo gene therapy applications

Realistic shell-model calculations for proton particle-neutron hole nuclei around 132Sn

We have performed shell-model calculations for nuclei with proton particles and neutron holes around 132Sn using a realistic effective interaction derived from the CD-Bonn nucleon-nucleon potential. For the proton-neutron channel this is explicitly done in the particle-hole formalism. The calculated results are compared with the available experimental data, particular attention being focused on the proton particle-neutron hole multiplets. A very good agreement is obtained for all the four nuclei considered, 132Sb, 130Sb, 133Te and 131Sb. We predict many low-energy states which have no experimental counterpart. This may stimulate, and be helpful to, future experiments.Comment: 8 pages, 6 figures, to be published on Physical Review

Variações Longitudinais de Lipoproteínas de Baixa Densidade Oxidadas Associadas à Artéria "Culpada" no Enfarte do Miocárdio com Elevação ST - um Marcador Promissor?

The aim of the present study was to investigate variations in oxidized LDL (oxLDL) at the onset of acute myocardial infarction (AMI) and over the recovery period, exploring their relationship with coronary disease severity. A follow-up of 50 AMI patients was evaluated against 25 healthy volunteers (reference group). The AMI patients were evaluated at three time points: at admission before the administration of IIb/IIIa inhibitors and angioplasty, and two and 40 days after intervention. Plasma oxLDL concentrations were measured by ELISA. oxLDL was found to be significantly higher in AMI patients in the acute phase relative to reference levels, decreasing progressively over the recovery period. The results also demonstrated that oxLDL levels were decreased in patients with the left circumflex artery (LCX) as culprit vessel compared to the left anterior descending coronary (LAD) or right coronary artery (RCA). The results highlight a significant increase in oxLDL concentration related to coronary artery disease severity, as conditions such as LCX lesions are usually associated with a favorable prognosis, contrasting with LAD-associated conditions that can compromise large areas of myocardium. The results thus suggest that oxLDL may constitute a promising marker in assessment of AMI evolution

Bonn Potential and Shell-Model Calculations for 206,205,204Pb

The structure of the nuclei 206,205,204Pb is studied interms of shell model employing a realistic effective interaction derived from the Bonn A nucleon-nucleon potential. The energy spectra, binding energies and electromagnetic properties are calculated and compared with experiment. A very good overall agreement is obtained. This evidences the reliability of our realistic effective interaction and encourages use of modern realistic potentials in shell-model calculations for heavy-mass nuclei.Comment: 4 pages, 4 figures, submitted to Physical Review