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In vivo investigations on microcirculatory disturbances induced by crenated erythrocytes following norepinephrine application

1974

Using a special apparatus for high resolution cinephotomicrography, which allows simultaneous observation and recording of microcirculatory changes, alterations in blood flow patterns and in red cell shape during norepinephrine acting have been studied. Under physiological conditions, and during slowing of capillary blood flow due to gradual removing of 20–25% of the circulating blood volume, the normal red cells are extremely deformable while passing through mesenteric capillaries. After application of norepinephrine a general arteriolar constrictive response in the bowel wall occurs, causing a further slowing of the capillary blood flow in the mesentery. Under these circumstances the eryt…

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

2015

International audience; Benzophenone, the parent of the diarylketone family, is a versatile compound commonly used as a UV blocker. It may also trigger triplet-based DNA photosensitization. Therefore, benzophenone is involved in DNA photodamage induction. In the absence of experimentally resolved structure, the mechanism of DNA damage production remains elusive. Employing a hybrid quantum mechanics/molecular mechanics approach, here we address the spin transfer mechanism between this drug and proximal thymine, that is, the DNA nucleobase most prone to suffer triplet damages.

Quantum dots functionalised artificial peptides bioinspired to the D1 protein from the Photosystem II of Chlamydomonas reinhardtii for endocrine disr…

2021

Herein we describe the design and synthesis of novel artificial peptides mimicking the plastoquinone binding niche of the D1 protein from the green photosynthetic alga Chlamydomonas reinhardtii, also able to bind herbicides. In particular, molecular dynamics (MD) simulations were performed to model in silico the behaviour of three peptides, D1Pep70-H, D1Pep70-S264K and D1Pep70-S268C, as genetic variants with different affinity towards the photosynthetic herbicide atrazine. Then the photosynthetic peptides were functionalised with quantum dots for the development of a hybrid optosensor for the detection of atrazine, one of the most employed herbicides for weed control in agriculture as well …

Multicomponent density-functional theory for time-dependent systems

2007

We derive the basic formalism of density functional theory for time-dependent electron-nuclear systems. The basic variables of this theory are the electron density in body-fixed frame coordinates and the diagonal of the nuclear N-body density matrix. The body-fixed frame transformation is carried out in order to achieve an electron density that reflects the internal symmetry of the system. We discuss the implications of this body-fixed frame transformation and establish a Runge-Gross-type theorem and derive Kohn-Sham equations for the electrons and nuclei. We illustrate the formalism by performing calculations on a one-dimensional diatomic molecule for which the many-body Schrodinger equati…

Nonequilibrium statistical mechanics of dilute relativistic plasmas

2005

Energy of string loops and thermodynamics of dark energy

2011

We discuss the thermodynamic aspects of a simple model of cosmic string loops, whose energy is nonlinearly related to their lengths. We obtain in a direct way an equation of state having the form p=-(1+{alpha}){rho}/3, with {rho} the energy density and 1+{alpha} the exponent which relates the energy u{sub l} of a loop with its length l as u{sub l}{approx}l{sup 1+{alpha}}. In the linear situation ({alpha}=0) one has p=-{rho}/3, in the quadratic one ({alpha}=1) p=-2{rho}/3, and in the cubic case ({alpha}=2) p=-{rho}. For all values of {alpha} the entropy goes as S{approx}(2-{alpha})L{sup 3/2} (L being the string length density). The expression of S is useful to explore the behavior of such st…

Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential

2007

International audience; Surface transfer coefficients are determined by nonequilibrium molecular dynamics simulations for a Lennard-Jones fluid with a long-range spline potential. In earlier work A. Røsjorde et al., J. Colloid Interface Sci. 240, 355 2001; J. Xu et al., ibid. 299, 452 2006, using a short-range Lennard-Jones spline potential, it was found that the resistivity coefficients to heat and mass transfer agreed rather well with the values predicted by kinetic theory. For the long-range Lennard-Jones spline potential considered in this paper we find significant discrepancies from the values predicted by kinetic theory. In particular the coupling coefficient, and as a consequence the…

Large Time Behavior for Inhomogeneous Damped Wave Equations with Nonlinear Memory

2020

We investigate the large time behavior for the inhomogeneous damped wave equation with nonlinear memory ϕtt(t,&omega

Waves Propagation in Turbulent Superfluid Helium in Presence of Combined Rotation and Counterflow

2010

A complete study of the propagation of waves (namely longitudinal density and temperature waves, longitudinal and transversal velocity waves and heat waves) in turbulent superfluid helium is made in three situations: a rotating frame, a thermal counterflow, and the simultaneous combination of thermal counterflow and rotation. Our analysis aims to obtain as much as possible information on the tangle of quantized vortices from the wave speed and attenuation factor of these different waves, depending on their relative direction of propagation with respect to the rotation vector.

ELECTRON SPIN RESONANCE AND ELECTROCHEMICAL STUDIES OF OXIDATION PRODUCTS DERIVATES OF APOMORPHINE IN APROTIC SOLVENTS

2002

Apomorphine acts as contractile muscular agent through an extra cellular calcium mechanism dependent. This activity is accompanied with autoxidación process producing o-quinone derivates. o-Quinone is also obtained by apomorphine oxidation in acid medium; in basic conditions a hydroxi-p-quinone is formed. In order to characterize the apomorphine derivates species generated via metabolism or chemical mechanism, specially free radical forms, electrochemical and Electronic Spin Resonance studies were done to o and p-quinones metabolites in presence or absence of Calcium ions. The electrochemical study of these compounds using cyclic voltametric indicated that the reduction mechanism consists o…