Search results for "Interactions"
showing 10 items of 1963 documents
Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics.
2014
Despite the large number of studies available on nicotinic acetylcholine receptors, a complete account of the mechanistic aspects of their gating transition in response to ligand binding still remains elusive. As a first step toward dissecting the transition mechanism by accelerated sampling techniques, we study the ligand-induced conformational changes of the acetylcholine binding protein (AChBP), a widely accepted model for the full receptor extracellular domain. Using unbiased Molecular Dynamics (MD) and Temperature Accelerated Molecular Dynamics (TAMD) simulations we investigate the AChBP transition between the apo and the agonist-bound state. In long standard MD simulations, both confo…
Tradeoffs in the evolution of plant farming by ants
2020
Diverse forms of cultivation have evolved across the tree of life. Efficient farming requires that the farmer deciphers and actively promotes conditions that increase crop yield. For plant cultivation, this can include evaluating tradeoffs among light, nutrients, and protection against herbivores. It is not understood if, or how, nonhuman farmers evaluate local conditions to increase payoffs. Here, we address this question using an obligate farming mutualism between the ant Philidris nagasau and epiphytic plants in the genus Squamellaria that are cultivated for their nesting sites and floral rewards. We focused on the ants' active fertilization of their crops and their protection against he…
Pharmacological and biochemical study on the effects of selective phosphodiesterase inhibitors on human term myometrium
1999
This study was aimed at evaluating the in vitro effects of phosphodiesterase inhibitors and beta2-adrenoceptor agonists on spontaneous contractions of human term myometrium. Rolipram, RP 73401 (3-cyclopentyloxy-N-(3,5(-dichloro-4-pyridil)-4-methoxybenzamide) and Ro 20-1724 (1-4-(3-butoxy-4-methoxybenzyl)-2-imidozolidinone) (phosphodiesterase 4 inhibitors) inhibited spontaneous myometrial contractions (Emax approximately 100%; pD2 of 6.80+/-0.28, 6.84+/-0.32 and 6.31+/-0.03, respectively). Salbutamol and formoterol were less effective (Emax=40+/-6% and 35+/-12%, respectively) than phosphodiesterase 4 inhibitors to reduce myometrial contractility. Inhibitors of phosphodiesterase 3 (milrinone …
Non-local multiscale approach for the impact of go or grow hypothesis on tumour-viruses interactions
2021
International audience; We propose and study computationally a novel non-local multiscale moving boundary mathematical model for tumour and oncolytic virus (OV) interactions when we consider the go or grow hypothesis for cancer dynamics. This spatio-temporal model focuses on two cancer cell phenotypes that can be infected with the OV or remain uninfected, and which can either move in response to the extracellular-matrix (ECM) density or proliferate. The interactions between cancer cells, those among cancer cells and ECM, and those among cells and OV occur at the macroscale. At the micro-scale, we focus on the interactions between cells and matrix degrading enzymes (MDEs) that impact the mov…
Dynamics of non-local systems handled by fractional calculus
2007
Mechanical vibrations of non-local systems with long-range, cohesive, interactions between material particles have been studied in this paper by means of fractional calculus. Long-range cohesive forces between material particles have been included in equilibrium equations assuming interaction distance decay with order α . This approach yields as limiting case a partial fractional differential equation of order α involving space-time variables. It has been shown that the proposed model may be obtained by a discrete, mass-spring model that includes non-local interactions by non-adjacent particles and the mechanical vibrations of the particles have been obtained by an approximation fractional …
Magneto-structural and theoretical study of the weak interactions in a Mn(II) complex with a very unusual N,O-chelating coordination mode of 2-aminot…
2017
International audience; The Mn(II) complex {[Mn(atpa)(H2O)2]·H2O}n (1),with the dicarboxylate ligand 2-aminoterephthalic acid (H2atpa), has been synthesized and crystallographically, spectroscopically and magnetically characterized. Complex 1 shows a very unusual 1κ2N,O coordination mode of the aminoterephthalate dianion with the Mn(II) ion. One of the carboxylate groups shows a syn-anti-μ2-η1:η1 binding mode to form a 2D square grid. The magnetic properties of this compound can be very well reproduced with a regular S = 5/2 chain model with a very weak antiferromagnetic coupling constant of J = −0.2 cm−1 through the single syn-anti carboxylate bridges. EPR measurement also supports the exp…
Designing robust immediate release tablet formulations avoiding food effects for BCS class 3 drugs
2019
Abstract Food induced viscosity in the gastrointestinal tract is reported to reduce the bioavailability of tablets containing BCS class 3 drugs, mainly by retarding their disintegration and dissolution of the active pharmaceutical ingredient. The role of formulation factors in minimizing this negative food effect is largely unknown. Combinations of disintegrants were studied together with soluble and insoluble fillers and trospium chloride as model drug substance. Different batches of tablets were compressed at 10 kN and 30 kN, by incorporating different combinations of croscarmellose sodium (CSS), cross-linked (CPD) and sodium starch glycolate (SSG) at low level i.e, 2% + 2% and high level…
Lambda(1405) poles obtained from pi(0)Sigma(0) photoproduction data
2013
We present a strategy to extract the position of the two Lambda(1405) poles from experimental photoproduction data measured recently at different energies in the gamma p -> K+pi(0)Sigma(0) reaction at Jefferson Laboratory. By means of a chiral dynamics motivated potential with free parameters, we solve the Bethe-Salpeter equation in the coupled channels (K) over barN and pi Sigma in isospin I = 0 and parametrize the amplitude for the photonuclear reaction in terms of a linear combination of the pi Sigma -> pi Sigma and (K) over barN -> pi Sigma scattering amplitudes in I = 0, with a different linear combination for each energy. Good fits to the data are obtained with some sets of parameters…
First-forbidden transitions in the reactor anomaly
2018
We study the dominant forbidden transitions in the antineutrino spectra of the fission actinides from 4 MeV onward using the nuclear shell model. Through explicit calculation of the shape factor, taking into account Coulomb corrections, we show the expected changes on cumulative electron and antineutrino spectra. Compared to the usual allowed approximation this results in a minor decrease of electron spectra from 4 MeV and onward, whereas an increase of several percent is observed in antineutrino spectra. We show that, despite their limited number, forbidden transitions dominate the spectral flux for most of the experimentally accessible range. Based on the shell model calculations we attem…
Neutral-current supernova-neutrino cross sections for 204,206,208Pb calculated by Skyrme quasiparticle random-phase approximation
2019
The present work constitutes a detailed study of neutral-current (NC) supernova-neutrino scattering off the stable even-even lead isotopes 204,206,208Pb. This is a continuation of our previous work [Almosly et al., Phys. Rev. C. 94, 044614 (2016)] where we investigated charged-current processes on the same nuclei. As in the previous work, we have adopted the quasiparticle random-phase approximation (QRPA) as the theory framework and use three different Skyrme interactions to build the involved nuclear wave functions. We test the Skyrme forces by computing the location of the lowest-order isovector spin-multipole giant resonances and comparing with earlier calculations. We have computed the …