Search results for " Geometry."

Quantum interference and the time-dependent radiation of nanojunctions

2021

Using the recently developed time-dependent Landauer-B\"uttiker formalism and Jefimenko's retarded solutions to the Maxwell equations, we show how to compute the time-dependent electromagnetic field produced by the charge and current densities in nanojunctions out of equilibrium. We then apply this formalism to a benzene ring junction, and show that geometry-dependent quantum interference effects can be used to control the magnetic field in the vicinity of the molecule. Then, treating the molecular junction as a quantum emitter, we demonstrate clear signatures of the local molecular geometry in the non-local radiated power.

Il fondo Maria Del Re e l’insegnamento della Geometria nell’Universita’ di Napoli negli anni Venti e Trenta del Novecento

2014

Phase diagram of polymer blends in confined geometry

2001

Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A component and the corresponding smei-infinite system exhibits a first order wetting transition. The surface interaction of the opposite surface is varied as to study the crossover from capillary condensation for symmetric surfaces fields to the interface localization/delocalization transition for antisymmetric surface fields. In the former case the phase diagram has a single critical point close to the bulk critical point. In the latter case the phase diagram exh…

Substituent effect of nitro group on aromaticity of carbazole rings

2014

The molecular geometries of carbazole and its 17 nitro derivatives were optimized at the B3LYP/6-311++G(2d,2p) level of theory. The harmonic oscillator model of aromaticity and nucleus-independent chemical shift descriptors of π-electron delocalization were calculated to estimate the aromaticity of the carbazole five- and six-membered rings. The biggest changes in the value of both descriptors were observed for the pyrrole ring. The nitro group attached to 3 and/or 6 positions of the carbazole ring system exerts only a slight influence on the benzene ring aromaticity.

Association of Arsenic Exposure With Cardiac Geometry and Left Ventricular Function in Young Adults

2019

Background: Arsenic exposure has been related to numerous adverse cardiovascular outcomes. The aim of this study was to investigate the cross-sectional and prospective association between arsenic exposure with echocardiographic measures of left ventricular (LV) geometry and functioning. Methods: A total of 1337 young adult participants free of diabetes mellitus and cardiovascular disease were recruited from the SHFS (Strong Heart Family Study). The sum of inorganic and methylated arsenic concentrations in urine (ΣAs) at baseline was used as a biomarker of arsenic exposure. LV geometry and functioning were assessed using transthoracic echocardiography at baseline and follow-up. Results: Mea…

Space of signatures as inverse limits of Carnot groups

2021

We formalize the notion of limit of an inverse system of metric spaces with 1-Lipschitz projections having unbounded fibers. The construction is applied to the sequence of free Carnot groups of fixed rank n and increasing step. In this case, the limit space is in correspondence with the space of signatures of rectifiable paths in ℝn, as introduced by Chen. Hambly-Lyons’s result on the uniqueness of signature implies that this space is a geodesic metric tree. As a particular consequence we deduce that every path in ℝn can be approximated by projections of some geodesics in some Carnot group of rank n, giving an evidence that the complexity of sub-Riemannian geodesics increases with the step.…

The Cauchy problem in hybrid metric-Palatini f(X)-gravity

2013

The well-formulation and the well-posedness of the Cauchy problem is discussed for {\it hybrid metric-Palatini gravity}, a recently proposed modified gravitational theory consisting of adding to the Einstein-Hilbert Lagrangian an $f(R)$ term constructed {\it \`{a} la} Palatini. The theory can be recast as a scalar-tensor one predicting the existence of a light long-range scalar field that evades the local Solar System tests and is able to modify galactic and cosmological dynamics, leading to the late-time cosmic acceleration. In this work, adopting generalized harmonic coordinates, we show that the initial value problem can always be {\it well-formulated} and, furthermore, can be {\it well-…

Exact treatment of linear difference equations with noncommutative coefficients

2007

The exact solution of a Cauchy problem related to a linear second-order difference equation with constant noncommutative coefficients is reported.

Exact treatment of operator difference equations with nonconstant and noncommutative coefficients

2013

We study a homogeneous linear second-order difference equation with nonconstant and noncommuting operator coefficients in a vector space. We build its exact resolutive formula consisting of the explicit noniterative expression of a generic term of the unknown sequence of vectors. Some nontrivial applications are reported in order to show the usefulness and the broad applicability of the result.

Mixed-ligand copper(ii)–sulfonamide complexes: effect of the sulfonamide derivative on DNA binding, DNA cleavage, genotoxicity and anticancer activity

2013

Four ternary complexes, [Cu(L1)2(bipy)] (1) [HL1 = N-(6-chlorobenzo[d]thiazol-2-yl)-4-methylbenzenesulfonamide], [Cu(L2)2(bipy)] (2) [HL2 = N-(benzo[d]thiazol-2-yl)-4-methylbenzenesulfonamide], [Cu(L3)2(bipy)]·1/2H2O (3) [HL3 = N-(5,6-dimethylbenzo[d]thiazol-2-yl)-4-methylbenzenesulfonamide] and [Cu(L4)2(bipy)] (4) [HL4 = N-(5,6-dimethylbenzo[d]thiazol-2-yl)benzenesulfonamide], were prepared and then characterized by X-ray crystallography, spectroscopy and magnetic measurements. Whereas the molecular structure of 1 and 2 consists of a discrete monomeric copper(II) species with a distorted square planar geometry, that of 3 and 4 consists of two independent molecules. In 3, both molecules pre…