References of "Remacle, Françoise"
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See detailExperimental and Theoretical Study of the Reactivity of Gold Nanoparticles Towards Benzimidazole-2-ylidene Ligands
Rodríguez-Castillo, María; Lugo-Preciado, Gustavo; Laurencin, Danielle et al

in Chem. Eur. J. (2016), 22

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See detailForce measurements reveal how small binders perturb the dissociation mechanisms of DNA duplex sequences
Burmistrova, Anastasia; Fresch, Barbara ULg; Sluysmans, Damien ULg et al

in Nanoscale (2016), 8

The force-driven separation of double-stranded DNA is crucial to the accomplishment of cellular pro- cesses like genome transactions. Ligands binding to short DNA sequences can have a local stabilizing or ... [more ▼]

The force-driven separation of double-stranded DNA is crucial to the accomplishment of cellular pro- cesses like genome transactions. Ligands binding to short DNA sequences can have a local stabilizing or destabilizing effect and thus severely affect these processes. Although the design of ligands that bind to specific sequences is a field of intense research with promising biomedical applications, so far, their effect on the force-induced strand separation has remained elusive. Here, by means of AFM-based single mole- cule force spectroscopy, we show the co-existence of two different mechanisms for the separation of a short DNA duplex and demonstrate how they are perturbed by small binders. With the support of Mole- cular Dynamics simulations, we evidence that above a critical pulling rate one of the dissociation pathways becomes dominant, with a dramatic effect on the rupture forces. Around the critical threshold, we observe a drop of the most probable rupture forces for ligand-stabilized duplexes. Our results offer a deep understanding of how a stable DNA–ligand complex behaves under force-driven strand separation [less ▲]

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See detailMetabolomic analysis of the green microalga Chlamydomonas reinhardtii cultivated under day/night conditions
Willamme, Rémi ULg; Alsafra, Zouheir; Arumugam, Rameshkumar et al

in Journal of Biotechnology (2015)

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See detailThe living of the green microalga Chlamydomonas reinhardtii in day/night cycles
Willamme, Rémi ULg; Alsafra, Zouheir; Alsafra, Rameshkumar et al

Poster (2015, March 13)

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See detailCharge Redistribution Effects on the UV-VIS Spectra of Small Ligated Gold Clusters: a Computational Study
Lugo Preciado, Jesus Gustavo ULg; Schwanen, Valérie ULg; Fresch, Barbara ULg et al

in Journal of Physical Chemistry C (2015), 119(20), 10969-10980

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See detailComputational benchmarking for ultrafast electron dynamics: wavefunction methods vs density functional theory
Oliveira, Micael J. T.; Mignolet, Benoît ULg; Kus, Tomasz et al

in Journal of Chemical Theory and Computation (2015), 11

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See detailMultivalley envelope function equations and effective potentials for phosphorus impurity in silicon
Klymenko, Mykhailo ULg; Rogge, S.; Remacle, Francoise ULg

in Physical Review B (2015), 92(19), 195302

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See detailInformation processing in parallel through directionally resolved molecular polarization components in coherent multidimensional spectroscopy
Yan, Tian-Min; Fresch, Barbara ULg; Levine, R. D. et al

in Journal of Chemical Physics (2015), 143(6), 064106

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See detailRelative Photoionization Cross Sections of Super-Atom Molecular Orbitals (SAMOs) in C60
Bohl, Elvira; Sokół, Katarzyna P.; Mignolet, Benoît ULg et al

in The Journal of Physical Chemistry A (2015), 119(47), 11504-11508

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See detailMeasurement and laser control of attosecond charge migration in ionized iodoacetylene
Kraus, P. M.; Mignolet, Benoît ULg; Baykusheva, D. et al

in Science (2015), 350(6262), 790-795

The ultrafast motion of electrons and holes after light-matter interaction is fundamental to a broad range of chemical and biophysical processes. We advanced high-harmonic spectroscopy to resolve ... [more ▼]

The ultrafast motion of electrons and holes after light-matter interaction is fundamental to a broad range of chemical and biophysical processes. We advanced high-harmonic spectroscopy to resolve spatially and temporally the migration of an electron hole immediately after ionization of iodoacetylene while simultaneously demonstrating extensive control over the process. A multidimensional approach, based on the measurement and accurate theoretical description of both even and odd harmonic orders, enabled us to reconstruct both quantum amplitudes and phases of the electronic states with a resolution of ~100 attoseconds. We separately reconstructed quasi–field-free and laser-controlled charge migration as a function of the spatial orientation of the molecule and determined the shape of the hole created by ionization. Our technique opens the prospect of laser control over electronic primary processes. [less ▲]

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See detailParallel and Multivalued Logic by the Two-Dimensional Photon-Echo Response of a Rhodamine–DNA Complex
Fresch, Barbara ULg; Cipolloni, Marco; Yan, Tian-Min ULg et al

in Journal of Physical Chemistry Letters (2015), 6

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See detailCoherent Electronic Wave Packet Motion in ${\mathrm{C}}_{60}$ Controlled by the Waveform and Polarization of Few-Cycle Laser Fields
Li, H.; Mignolet, Benoît ULg; Wachter, G. et al

in Physical Review Letters (2015), 114(12), 123004

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See detailTernary DNA computing using 3 x 3 multiplication matrices
Orbach, Ron; Lilienthal, Sivan; Klein, Michael et al

in Chemical Science (2015), 6

Non-Boolean computations implementing operations on multi-valued variables beyond base 2 allow enhanced computational complexity. We introduce DNA as a functional material for ternary computing, and in ... [more ▼]

Non-Boolean computations implementing operations on multi-valued variables beyond base 2 allow enhanced computational complexity. We introduce DNA as a functional material for ternary computing, and in particular demonstrate the use of three-valued oligonucleotide inputs to construct a 3 [times] 3 multiplication table. The system consists of two three-valued inputs of -1; 0; +1 and a fluorophore/quencher functional hairpin acting as computational and reporter module. The interaction of the computational hairpin module with the different values of the inputs yields a 3 [times] 3 multiplication matrix consisting of nine nanostructures that are read out by three distinct fluorescence intensities. By combining three different hairpin computational modules, each modified with a different fluorophore/quencher pair, and using different sets of inputs, the parallel operation of three multiplication tables is demonstrated. [less ▲]

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See detailAn atomistic view of DNA dynamics and its interaction with small binders: insights from Molecular Dynamics and Principal Component Analysis
Fresch, Barbara ULg; Remacle, Françoise ULg

in Joachim, Christian (Ed.) Advances in Atom and Single Molecule Machines (2015)

DNA oligomers are promising building blocks for the development of bottom-up nano-devices and molecular logic machines. To control and exploit their unique capabilities of self-assembling and molecular ... [more ▼]

DNA oligomers are promising building blocks for the development of bottom-up nano-devices and molecular logic machines. To control and exploit their unique capabilities of self-assembling and molecular recognition a deep understanding of their dynamical properties is essential. We theoretically investigate the dynamics of a DNA dodecamer and its complexes with two common ligands, Hoechst33258 and the ethidium cation, by means of classical Molecular Dynamics (MD) simulations and Principal Component Analysis (PCA). We study the structural relation between the flexibility of the double helix and the binding process. The dynamics of a terminal base pair unbinding is also analysed as an example of process that involves multiple energy minima in the underlying free energy landscape. [less ▲]

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See detailCharge Migration in the Bifunctional PENNA Cation Induced and Probed by Ultrafast Ionization: A Dynamical Study.
Mignolet, Benoît ULg; Levine, R. D.; Remacle, Françoise ULg

in Journal of Physics : B Atomic Molecular & Optical Physics (2014), 47

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See detailPrédiction de la réponse moléculaire à des perturbations mesurée sur des cellules uniques
Remacle, Françoise ULg; Levine, R. D.

in Médecine/Science (2014), 30

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See detailComputational Surprisal Analysis Speeds-Up Genomic Characterization of Cancer Processes
Kravchenko-Balasha, N.; Simon, Simcha; Levine, R. D. et al

in Plos One (2014), 9(11), 108549

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See detailDNAzyme-based 2:1 and 4:1 multiplexers and 1:2 demultiplexer
Orbach, Ron; Remacle, Françoise ULg; Levine, R. D. et al

in Chemical Science (2014), 5

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See detailElectronic states and wavefunctions of diatomic donor molecular ions in silicon: multi-valley envelope function theory
Klymenko, Mykhailo ULg; Remacle, Françoise ULg

in Journal of Physics : Condensed Matter (2014), 26(6), 065302

Using the Burt–Foreman envelope function theory and effective mass approximation, we develop a theoretical model for an arbitrary number of interacting donor atoms embedded in silicon which reproduces the ... [more ▼]

Using the Burt–Foreman envelope function theory and effective mass approximation, we develop a theoretical model for an arbitrary number of interacting donor atoms embedded in silicon which reproduces the electronic energy spectrum with high computational efficiency, taking into account the effective mass anisotropy and the valley–orbit coupling. We show that the variation of the relative magnitudes of the electronic coupling between the donor atoms with respect to the valley–orbit coupling as a function of the internuclear distance leads to different kinds of spatial interference patterns of the wavefunction. We also report on the impact of the orientation of the diatomic phosphorus donor molecular ion in the crystal lattice on the ionization energy and on the energy separation between the ground state and the lowest excited state. [less ▲]

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