273 results match your criteria: "Universite de Toulouse UPS[Affiliation]"

We recently described a regulatory loop, which we termed autoregulation of infection (AOI), by which Sinorhizobium meliloti, a Medicago endosymbiont, downregulates the root susceptibility to secondary infection events via ethylene. AOI is initially triggered by so-far unidentified Medicago nodule signals named signal 1 and signal 1' whose transduction in bacteroids requires the S. meliloti outer-membrane-associated NsrA receptor protein and the cognate inner-membrane-associated adenylate cyclases, CyaK and CyaD1/D2, respectively.

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We describe excessive buccal saliva (EBS) prevalence in patients with Parkinson's Disease (PD) and controls of the COPARK study, its changes between "ON" and OFF" conditions and over time, its impact on Health-related Quality of life (HRQoL), and factors associated with this condition. We studied 671 ambulatory PD patients and 177 age/sex-matched controls. We defined "sialorrhea" as UPDRS item #6 (salivation) = 1 or 2; and "drooling" as item #6 = 3 or 4.

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Malaria, babesiosis, trypanosomosis, and leishmaniasis are some of the most life-threatening parasites, but the range of drugs to treat them is limited. An effective, safe, and low-cost drug with a large activity spectrum is urgently needed. For this purpose, an aryl amino alcohol derivative called Alsinol was resynthesized, screened in silico, and tested against Plasmodium, Babesia, Trypanosoma, and Leishmania.

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Threshold collision induced dissociation of pyrene cluster cations.

J Chem Phys

August 2020

Institut de Recherche en Astrophysique et Planétologie (IRAP), UMR5277, Université de Toulouse (UPS), CNRS, CNES,, 9 Avenue du Colonel Roche, F-31028 Toulouse, France.

We report threshold collision induced dissociation experiments on cationic pyrene clusters, for sizes n = 2-6. Fragmentation cross sections are recorded as a function of the collision energy and analyzed with a statistical model. This model can account for the dissociation cascades and provides values for the dissociation energies.

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We report measurements of lower-hybrid drift waves driving electron heating and vortical flows in an electron-scale reconnection layer under a guide field. Electrons accelerated by the electrostatic potential of the waves exhibit perpendicular and nongyrotropic heating. The vortical flows generate magnetic field perturbations comparable to the guide field magnitude.

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Rivers are fascinating ecosystems in which the eco-evolutionary dynamics of organisms are constrained by particular features, and biologists have developed a wealth of knowledge about freshwater biodiversity patterns. Over the last 10 years, our group used a holistic approach to contribute to this knowledge by focusing on the causes and consequences of intraspecific diversity in rivers. We conducted empirical works on temperate permanent rivers from southern France, and we broadened the scope of our findings using experiments, meta-analyses, and simulations.

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Thermochromic Meltable Materials with Reverse Spin Transition Controlled by Chemical Design.

Angew Chem Int Ed Engl

October 2020

Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, 46980 Paterna, Valencia, Spain.

We report a series of meltable Fe complexes, which, depending on the length of aliphatic chains, display abrupt forward low-spin to high-spin transition or unprecedented melting-triggered reverse high-spin to low-spin transition on temperature rise. The reverse spin transition is perfectly reproducible on thermal cycling and the obtained materials are easily processable in the form of thin film owing to their soft-matter nature. We found that the discovered approach represents a potentially generalizable new avenue to control both the location in temperature and the direction of the spin transition in meltable compounds.

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Addressing the role of centromere sites in activation of ParB proteins for partition complex assembly.

PLoS One

August 2020

Laboratoire de Microbiologie et de Génétique Moléculaires (LMGM), CBI, CNRS, UPS, Toulouse, France.

The ParB-parS partition complexes that bacterial replicons use to ensure their faithful inheritance also find employment in visualization of DNA loci, as less intrusive alternatives to fluorescent repressor-operator systems. The ability of ParB molecules to interact via their N-terminal domains and to bind to non-specific DNA enables expansion of the initial complex to a size both functional in partition and, via fusion to fluorescent peptides, visible by light microscopy. We have investigated whether it is possible to dispense with the need to insert parS in the genomic locus of interest, by determining whether ParB fused to proteins that bind specifically to natural DNA sequences can still assemble visible complexes.

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Orphan drug clinical development.

Therapie

April 2020

Service de pharmacologie clinique et pharmacovigilance, Aix Marseille Univ, AP-HM, INSERM, Inst Neurosci Syst, 13005 Marseille, France.

Clinical development for orphan drugs is extremely demanding but fascinating. There is no single aspect that is really specific to it but instead it gathers most of the hurdles: design, outcomes, recruitment, ethics, cost, probability and predictability for success. To overcome these difficulties, there has to be a great collaboration between academic centers, small and large pharma companies, patients' representatives as well as health authorities to provide support and innovative approaches.

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Non-adiabatic molecular dynamics of neutral chrysene and tetracene molecules is investigated using Tully's fewest switches surface hopping algorithm coupled to the time-dependent density functional based tight-binding (TD-DFTB) method for electronic structure calculations. We first assess the performance of two DFTB parameter sets based on the computed TD-DFTB absorption spectra. The main focus is given to the analysis of the electronic relaxation from the brightest excited state following absorption of a UV photon.

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17β-Estradiol (E2) action can be mediated by the full-length estrogen receptor alpha (ERα66), and also by the AF1 domain-deficient ERα (ERα46) isoform, but their respective sensitivity to E2 is essentially unknown. We first performed a dose response study using subcutaneous home-made pellets mimicking either metestrus, proestrus or a pharmacological doses of E2, which resulted in plasma concentrations around 3, 30 and 600 pM, respectively. Analysis of the uterus, vagina and bone after chronic exposure to E2 demonstrated dose-dependent effects, with a maximal response reached at the proestrus-dose in wild type mice expressing mainly ERα66.

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Introduction: Immediate-release (IR) amantadine has been marketed for Parkinson's disease (PD) therapy for 50 years, while two novel extended-release formulations have only recently reached the market in the US.

Objectives: The aim of this study was to describe amantadine IR utilization patterns in the French COPARK cohort, at baseline and after 2 years of follow-up.

Methods: Overall, 683 PD patients from the COPARK survey were evaluated.

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Monitoring Fe(II) Spin-State Equilibria via Eu(III) Luminescence in Molecular Complexes: Dream or Reality?

Inorg Chem

January 2020

Department of Inorganic and Analytical Chemistry, and of Physical Chemistry , University of Geneva, 30 quai E. Ansermet , CH-1211 Geneva 4, Switzerland.

The modulation of light emission by Fe(II) spin-crossover processes in multifunctional materials has recently attracted major interest for the indirect and noninvasive monitoring of magnetic information storage. In order to approach this goal at the molecular level, three segmental ligand strands, -, were reacted with stoichiometric mixtures of divalent -block cations (M(II) = Fe(II) or Zn(II)) and trivalent lanthanides (Ln(III) = La(III) or Eu(III)) in acetonitrile to give -symmetrical dinuclear triple-stranded helical [LnM()] cations, which can be crystallized with noncoordinating counter-anions. The divalent metal M(II) is six-coordinate in the pseudo-octahedral sites produced by the facial wrapping of the three didentate binding units, the ligand field of which induces variable Fe(II) spin-state properties in [LnFe()] (strictly high-spin), [LnFe()] (spin-crossover (SCO) around room temperature), and [LnFe()] (SCO at very low temperature).

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Electron Diffraction of Pyrene Nanoclusters Embedded in Superfluid Helium Droplets.

J Phys Chem Lett

February 2020

Laboratoire de Chimie et Physique Quantiques, LCPQ/IRSAMC, UMR5626 , Université de Toulouse (UPS) and CNRS, 118 Route de Narbonne , F-31062 Toulouse , France.

We report electron diffraction of pyrene nanoclusters embedded in superfluid helium droplets. Using a least-squares fitting procedure, we have been able to separate the contribution of helium from those of the pyrene nanoclusters and determine the most likely structures for dimers and trimers. We confirm that pyrene dimers form a parallel double-layer structure with an interlayer distance of 3.

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Contrast sensitivity for a Gabor signal is affected by collinear high-contrast Gabor flankers. The flankers reduce (inhibitory effect) or increase (facilitatory effect) sensitivity, at short (2λ) and intermediate (6λ) target-to-flanker separation respectively. We investigated whether these inhibitory/facilitatory sensitivity effects are modulated by transcranial random noise stimulation (tRNS) applied to the occipital and frontal cortex of human observers during task performance.

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tRNS effects on visual contrast detection.

Neurosci Lett

January 2020

Department of Neurobiology, University of Alabama at Birmingham, Birmingham, AL, USA. Electronic address:

In recent years, transcranial electrical stimulation (tES) has been used to improve cognitive and perceptual abilities and to boost learning. In the visual domain, transcranial random noise stimulation (tRNS), a type of tES in which electric current is randomly alternating in between two electrodes at high frequency, has shown potential in inducing long lasting perceptual improvements when coupled with tasks such as contrast detection. However, its cortical mechanisms and online effects have not been fully understood yet, and it is still unclear whether these long-term improvements are due to early-stage perceptual enhancements of contrast sensitivity or later stage mechanisms such as learning consolidation.

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Mexico is one of the most biodiverse countries in the world, with an important proportion of endemism mainly because of the convergence of the Nearctic and Neotropical biogeographic regions, which generate great diversity and species turnover at different spatial scales. However, most of our knowledge of the Mexican ant biota is limited to a few well-studied taxa, and we lack a comprehensive synthesis of ant biodiversity information. For instance, most of the knowledge available in the literature on Mexican ant fauna refers only to species lists by states, or is focused on only a few regions of the country, which prevents the study of several basic and applied aspects of ants, from diversity and distribution to conservation.

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Thermal evaporation of pyrene clusters.

J Chem Phys

November 2019

Laboratoire de Chimie et Physique Quantiques (LCPQ/IRSAMC) UMR5626, Université de Toulouse (UPS) and CNRS, 118 Route de Narbonne, F-31062 Toulouse, France.

This work presents a study of the thermal evaporation and stability of pyrene (CH) clusters. Thermal evaporation rates of positively charged mass-selected clusters are measured for sizes in the range n = 3-40 pyrene units. The experimental setup consists of a gas aggregation source, a thermalization chamber, and a time of flight mass spectrometer.

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Structures and Energetics of Neutral and Cationic Pyrene Clusters.

J Phys Chem A

November 2019

Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626 , Université de Toulouse (UPS) and CNRS, 118 Route de Narbonne , F-31062 Toulouse , France.

The low energy structures of neutral and cationic pyrene clusters containing up to seven molecules are searched through a global exploration scheme combining parallel tempering Monte Carlo algorithm and local quenches. The potential energies are computed at the density functional based tight binding level for neutrals and configuration interaction density functional based tight binding for cations in order to treat properly the charge resonance. New simplified versions of these schemes are also presented and used during the global exploration.

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The present work highlights the links between melting properties and structural excitation spectra of small gold and silver clusters. The heat capacity curves are computed for Ag, Au, Ag, Au and their ions, using a parallel-tempering molecular dynamics scheme to explore the density functional based tight binding (DFTB) potential energy surfaces and the multiple histogram method. It is found that clusters having very symmetric lowest energy structures (Au, Ag and their ions) present sharp or relatively sharp solid-to-liquid transitions and large melting temperatures, important structural excitation energies and a discrete isomer spectrum.

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Mechanochemistry for Synthesis.

Angew Chem Int Ed Engl

January 2020

Department of Chemistry, McGill University, 801 Sherbrooke St. W., H3A 0B8, Montreal, Canada.

Mechanochemical solvent-free reactions by milling, grinding or other types of mechanical action have emerged as a viable alternative to solution chemistry. Mechanochemistry offers not only a possibility to eliminate the need for bulk solvent use, and reduce the generation of waste, but it also unlocks the door to a different reaction environment in which synthetic strategies, reactions and molecules previously not accessible in solution, can be achieved. This Minireview examines the potential of mechanochemistry in chemical and materials synthesis, by providing a cross-section of the recent developments in using ball milling for the formation of molecules and materials based on covalent and coordination bonds.

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Macular degeneration (MD) is the leading cause of low vision in the elderly population worldwide. In case of complete bilateral loss of central vision, MD patients start to show a preferred retinal region for fixation (PRL). Previous literature has reported functional changes that are connected with the emergence of the PRL.

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Context dependent life-history shift in Macrodinychus sellnicki mites attacking a native ant host in Colombia.

Sci Rep

June 2019

Departamento de Conservación de la Biodiversidad, El Colegio de la Frontera Sur, Chetumal, 77014, Quintana Roo, Mexico.

Ant parasitoidism has been reported in seven of the 26 recognized species of the mite genus Macrodinychus (Machrodynichidae). Macrodynichus sellnicki, previously reported as a parasitoid of the invasive ant Nylanderia fulva in Colombia, is now reported, in the same region, as attacking a native host, Ectatomma sp. 2 (E.

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Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenes.

Phys Chem Chem Phys

June 2019

Laboratoire de Chimie et Physique Quantiques (LCPQ), IRSAMC UMR5626, Université de Toulouse (UPS) and CNRS, 118 Route de Narbonne, F-31062 Toulouse, France.

The Tully's fewest switches surface hopping algorithm is implemented within the framework of the time-dependent density functional based tight binding method (TD-DFTB) to simulate the energy relaxation following absorption of a UV photon by polycyclic aromatic hydrocarbons (PAHs). This approach is used to study the size effect on the ultrafast dynamics in excited states for a special class of PAH species called polyacenes. We determine the dynamical relaxation times and discuss the underlying mechanisms.

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Experimental Approach to the Study of Anharmonicity in the Infrared Spectrum of Pyrene from 14 to 723 K.

J Phys Chem A

May 2019

Institut de Recherche en Astrophysique et Planétologie, Université de Toulouse (UPS), CNRS, CNES , 9 Av. du Colonel Roche , 31028 Toulouse Cedex 4 , France.

Quantifying the effect of anharmonicity on the infrared spectrum of large molecules such as polycyclic aromatic hydrocarbons (PAHs) at high temperatures is the focus of a number of theoretical and experimental studies, many of them motivated by astrophysical applications. We recorded the IR spectrum of pyrene CH microcrystals embedded in KBr pellets over a wide range of temperatures (14-723 K) and studied the evolution of band positions, widths, and integrated intensities with temperature. We identified jumps for some of the spectral characteristics of some bands in the 423-473 K range.

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