Search Results - "Denys, E"

Polymyxin Binding to the Bacterial Outer Membrane Reveals Cation Displacement and Increasing Membrane Curvature in Susceptible but Not in Resistant Lipopolysaccharide Chemotypes by Santos, Denys E. S, Pol-Fachin, Laércio, Lins, Roberto D, Soares, Thereza A

“…Lipid-A is the causative agent of Gram-negative sepsis and is responsible for an increasingly high mortality rate among hospitalized patients. Compounds that…”
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Conformational Dynamics and Responsiveness of Weak and Strong Polyelectrolyte Brushes: Atomistic Simulations of Poly(dimethyl aminoethyl methacrylate) and Poly(2-(methacryloyloxy)ethyl trimethylammonium chloride) by Santos, Denys E. S, Li, Danyang, Ramstedt, Madeleine, Gautrot, Julien E, Soares, Thereza A

“…The complex solution behavior of polymer brushes is key to control their properties, including for biomedical applications and catalysis. The swelling behavior…”
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Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape by Santos, Denys E. S., Coutinho, Kaline, Soares, Thereza A.

“…The surface assessment via grid evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of structural properties…”
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Exploring the Molecular Dynamics of a Lipid‑A Vesicle at the Atom Level: Morphology and Permeation Mechanism by Santos, Denys E. S., De Nicola, Antonio, dos Santos, Vinicius F., Milano, Giuseppe, Soares, Thereza A.

“…Lipid-A was previously shown to spontaneously aggregate into a vesicle via the hybrid particle field approach. We assess the validity of the proposed…”
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SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces by Santos, Denys E. S, Pontes, Frederico J. S, Lins, Roberto D, Coutinho, Kaline, Soares, Thereza A

“…Curvature is an intrinsic feature of biological membranes underlying vital cellular processes such as endocytosis, membrane fusion–fission, trafficking, and…”
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Damage detection and fatigue life estimation under random loads: A new structural health monitoring methodology in the frequency domain by Marques, Denys E. T., Vandepitte, Dirk, Tita, Volnei

“…This paper presents a methodology for structural health monitoring of fatigue cracks under stationary random loads. The methodology is composed of two parts:…”
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Aggregation of Lipid A Variants: A Hybrid Particle-Field Model by De Nicola, Antonio, Soares, Thereza A., Santos, Denys E.S., Bore, Sigbjørn Løland, Sevink, G.J. Agur, Cascella, Michele, Milano, Giuseppe

“…Lipid A is one of the three components of bacterial lipopolysaccharides constituting the outer membrane of Gram-negative bacteria, and is recognized to have an…”
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Out of Sight, Out of Mind: The Effect of the Equilibration Protocol on the Structural Ensembles of Charged Glycolipid Bilayers by Messias, Andresa, Santos, Denys E S, Pontes, Frederico J S, Lima, Filipe S, Soares, Thereza A

“…Molecular dynamics (MD) simulations represent an essential tool in the toolbox of modern chemistry, enabling the prediction of experimental observables for a…”
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Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations by Rusu, Victor H, Santos, Denys E. S, Poleto, Marcelo D, Galheigo, Marcelo M, Gomes, Antônio T. A, Verli, Hugo, Soares, Thereza A, Lins, Roberto D

“…Rotational Profiler provides an analytical algorithm to compute sets of classical torsional dihedral parameters by fitting an empirical energy profile to a…”
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Highly n-doped graphene generated through intercalated terbium atoms by Daukiya, Lakshya, Nair, Maya, Hajjar-Garreau, Samar, Vonau, Francois, Aubel, Dominique, Bubendorff, Jean-Luc, Cranney, Marion, Denys, Emmanuel, Florentin, Alban, Reiter, Günter, Simon, Laurent

“…We obtained highly n-type doped graphene by intercalating terbium atoms between graphene and SiC(0001) through appropriate annealing in ultrahigh vacuum. After…”
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Passive Films Formed on Fe- and Ni-Based Alloys in an Alkaline Medium: An Insight into Complementarities between Electrochemical Techniques and Near-Field Microscopies (AFM/SKPFM) by Benaioun, N. E., Moulayat, N., Hakiki, N. E., Ramdane, H., Denys, E., Florentin, A., Khodja, K. D., Heireche, M. M., Bubendorff, J. L.

“…This study investigates the natural passivation process of two types of stainless steels (AISI 316 and AISI 304) and a nickel-based alloy (Inconel 600) as a…”
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Developmental exposure to indoor flame retardants and hypothalamic molecular signatures: Sex-dependent reprogramming of lipid homeostasis by Kozlova, Elena V, Denys, Maximillian E, Benedum, Jonathan, Valdez, Matthew C, Enriquez, Dave, Bishay, Anthony E, Chinthirla, Bhuvaneswari D, Truong, Edward, Krum, Julia M, DiPatrizio, Nicholas V, Deol, Poonamjot, Martins-Green, Manuela, Curras-Collazo, Margarita C

“…Polybrominated diphenyl ethers (PBDEs) are a class of flame-retardant organohalogen pollutants that act as endocrine/neuroendocrine disrupting chemicals…”
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Time dependence of the natural passivation process on AISI 304 in an alkaline medium: Atomic force microscopy and scanning Kelvin probe force microscopy as additional tools to electrochemical impedance spectroscopy by Benaioun, N.E., Maafa, I., Florentin, A., Denys, E., Hakiki, N.E., Moulayat, N., Bubendorff, J.L.

“…Thin surface films formed on AISI 304 samples in an alkaline solution of pH = 13 are studied by atomic force microscopy (AFM), scanning Kelvin probe force…”
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Glucoregulatory disruption in male mice offspring induced by maternal transfer of endocrine disrupting brominated flame retardants in DE-71 by Kozlova, Elena V, Chinthirla, Bhuvaneswari D, Bishay, Anthony E, Pérez, Pedro A, Denys, Maximillian E, Krum, Julia M, DiPatrizio, Nicholas V, Currás-Collazo, Margarita C

“…Polybrominated diphenyl ethers (PBDEs) are commercially used flame retardants that bioaccumulate in human tissues, including breast milk. PBDEs produce…”
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Noble-metal intercalation process leading to a protected adatom in a graphene hollow site by Narayanan Nair, M., Cranney, M., Jiang, T., Hajjar-Garreau, S., Aubel, D., Vonau, F., Florentin, A., Denys, E., Bocquet, M.-L., Simon, L.

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Cu Metal/Mn Phthalocyanine Organic Spinterfaces atop Co with High Spin Polarization at Room Temperature by Urbain, E., Ibrahim, F., Studniarek, M., Nyakam, F. Ngassam, Joly, L., Arabski, J., Scheurer, F., Bertran, F., Le Fèvre, P., Garreau, G., Denys, E., Wetzel, P., Alouani, M., Beaurepaire, E., Boukari, S., Bowen, M., Weber, W.

“…The organic spinterface describes the spin‐polarized properties that develop, due to charge transfer, at the interface between a ferromagnetic metal (FM) and…”
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Flat band and Lifshitz transition in long-range-ordered supergraphene obtained by Erbium intercalation by Zaarour, A., Malesys, V., Teyssandier, J., Cranney, M., Denys, E., Bubendorff, J. L., Florentin, A., Josien, L., Vonau, F., Aubel, D., Ouerghi, A., Bena, C., Simon, L.

“…We report the observation of graphene doped up to the Lifshitz transition obtained solely by the intercalation of Erbium atoms. ARPES measurements show that a…”
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Cardiovascular Simulator Improvement: Pressure Versus Volume Loop Assessment by Fonseca, Jeison, Andrade, Aron, Nicolosi, Denys E.C., Biscegli, José F., Leme, Juliana, Legendre, Daniel, Bock, Eduardo, Lucchi, Julio Cesar

“…This article presents improvement on a physical cardiovascular simulator (PCS) system. Intraventricular pressure versus intraventricular volume (PxV) loop was…”
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Superlattice of resonators on monolayer graphene created by intercalated gold nanoclusters by Cranney, M, Vonau, F, Pillai, P. B, Denys, E, Aubel, D, De Souza, M. M, Bena, C, Simon, L

“…Here we report on a “new” type of ordering which allows to modify the electronic structure of a graphene monolayer (ML). We have intercalated small gold…”
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Growth of palladium nanoparticles on nanostructured highly ordered pyrolytic graphite by Yuan, Z., Hanf, M.C., Stephan, R., Dulot, F., Denys, E., Florentin, A., Harbich, W., Wetzel, P.

“…We report on the growth of palladium nanoparticles on the basal plane of as‐cleaved highly oriented pyrolytic graphite (HOPG) samples, and on CO2 ion sputtered…”
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