References of "Remacle, Françoise"
     in
Bookmark and Share    
Full Text
Peer Reviewed
See detailControlling coherent quantum nuclear dynamics in LiH by ultra short IR atto pulses
Nikodem, Astrid ULiege; Levine, R. D.; Remacle, Françoise ULiege et al

in Progress in Ultrafast Laser Science XIII (2016)

Detailed reference viewed: 8 (0 ULiège)
Full Text
Peer Reviewed
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

Detailed reference viewed: 16 (0 ULiège)
Full Text
Peer Reviewed
See detailForce measurements reveal how small binders perturb the dissociation mechanisms of DNA duplex sequences
Burmistrova, Anastasia; Fresch, Barbara ULiege; Sluysmans, Damien ULiege 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 ▲]

Detailed reference viewed: 102 (20 ULiège)
Full Text
Peer Reviewed
See detailMetabolomic analysis of the green microalga Chlamydomonas reinhardtii cultivated under day/night conditions
Willamme, Rémi ULiege; Alsafra, Zouheir; Arumugam, Rameshkumar et al

in Journal of Biotechnology (2015)

Detailed reference viewed: 76 (32 ULiège)
Full Text
See detailThe living of the green microalga Chlamydomonas reinhardtii in day/night cycles
Willamme, Rémi ULiege; Alsafra, Zouheir; Alsafra, Rameshkumar et al

Poster (2015, March 13)

Detailed reference viewed: 42 (7 ULiège)
Full Text
Peer Reviewed
See detailCoherent electronic wave packet motion in c60 controlled by the waveform and polarization of few-cycle laser fields
Li, H.; Mignolet, Benoît ULiege; Wachter, G. et al

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

Detailed reference viewed: 7 (0 ULiège)
Full Text
Peer Reviewed
See detailMeasurement and laser control of attosecond charge migration in ionized iodoacetylene
Kraus, P. M.; Mignolet, Benoît ULiege; 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 ▲]

Detailed reference viewed: 28 (3 ULiège)
Full Text
Peer Reviewed
See detailCharge Redistribution Effects on the UV-VIS Spectra of Small Ligated Gold Clusters: a Computational Study
Lugo Preciado, Jesus Gustavo ULiege; Schwanen, Valérie ULiege; Fresch, Barbara ULiege et al

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

Detailed reference viewed: 97 (5 ULiège)
Full Text
Peer Reviewed
See detailComputational benchmarking for ultrafast electron dynamics: wavefunction methods vs density functional theory
Oliveira, Micael J. T.; Mignolet, Benoît ULiege; Kus, Tomasz et al

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

Detailed reference viewed: 139 (0 ULiège)
Full Text
Peer Reviewed
See detailMultivalley envelope function equations and effective potentials for phosphorus impurity in silicon
Klymenko, Mykhailo ULiege; Rogge, S.; Remacle, Francoise ULiege

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

Detailed reference viewed: 19 (1 ULiège)
Full Text
Peer Reviewed
See detailInformation processing in parallel through directionally resolved molecular polarization components in coherent multidimensional spectroscopy
Yan, Tian-Min; Fresch, Barbara ULiege; Levine, R. D. et al

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

Detailed reference viewed: 14 (0 ULiège)
Full Text
Peer Reviewed
See detailRelative Photoionization Cross Sections of Super-Atom Molecular Orbitals (SAMOs) in C60
Bohl, Elvira; Sokół, Katarzyna P.; Mignolet, Benoît ULiege et al

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

Detailed reference viewed: 9 (0 ULiège)
Full Text
Peer Reviewed
See detailParallel and Multivalued Logic by the Two-Dimensional Photon-Echo Response of a Rhodamine–DNA Complex
Fresch, Barbara ULiege; Cipolloni, Marco; Yan, Tian-Min ULiege et al

in Journal of Physical Chemistry Letters (2015), 6

Detailed reference viewed: 12 (4 ULiège)
Full Text
Peer Reviewed
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 ▲]

Detailed reference viewed: 10 (1 ULiège)
Full Text
Peer Reviewed
See detailAn atomistic view of DNA dynamics and its interaction with small binders: insights from Molecular Dynamics and Principal Component Analysis
Fresch, Barbara ULiege; Remacle, Françoise ULiege

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 ▲]

Detailed reference viewed: 70 (7 ULiège)
Full Text
Peer Reviewed
See detailCharge Migration in the Bifunctional PENNA Cation Induced and Probed by Ultrafast Ionization: A Dynamical Study.
Mignolet, Benoît ULiege; Levine, R. D.; Remacle, Françoise ULiege

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

Detailed reference viewed: 29 (8 ULiège)
Full Text
Peer Reviewed
See detailTuning the Properties of Pd Nanoclusters by Ligand Coatings: Electronic Structure Computations on Phosphine, Thiol, and Mixed PhosphineThiol Ligand Shells
Fresch, Barbara ULiege; Remacle, Françoise ULiege

in Journal of Physical Chemistry C (2014)

Tuning the properties of Palladium nanoparticles using different protecting ligand shells is an important step toward the application-orientated design of nanoparticles for nano-electronics and catalysis ... [more ▼]

Tuning the properties of Palladium nanoparticles using different protecting ligand shells is an important step toward the application-orientated design of nanoparticles for nano-electronics and catalysis. We present a density functional theoretical characterization of Pd13 and Pd55 metal cores protected by only-thiol, only-phosphine and mixed phosphine-thiol ligand shells. We analyze the ligand contributions to the frontier orbitals and the charge redistribution between the ligand shell and the metal core and show that these properties control the values of the charging energy and the catalytic activity. The charge transfer character of the metal-ligand interaction is influenced by the presence of other ligands in the capping system indicating a cooperative effect in the ligand induced charge redistribution. Because of the interplay between the stabilization of the frontier orbital due to the contribution of the sulfur and the charge donation by the phosphine, the charging energy of the mixed phosphine-thiol protected cluster is larger than that of the only-phosphine and the only-thiol systems. The complementary point of view is adopted for rationalizing the catalytic properties of the clusters by analyzing the effect of the interaction with the metallic core on the properties of the ligand. The impact of solvation on the electronic structure of the ligand capped Pd13 cluster is investigated by including explicitly a layer of water molecules in the model system. [less ▲]

Detailed reference viewed: 24 (2 ULiège)
Full Text
Peer Reviewed
See detailLigand and solvation effects on the structural and electronic properties of small gold clusters
Dufour, F.; Fresch, Barbara ULiege; Durupthy, O. et al

in Journal of Physical Chemistry C: Nanomaterials, Interfaces, and Hard Matter (2014), 118(8), 4362

Detailed reference viewed: 28 (2 ULiège)
Full Text
Peer Reviewed
See detailPrédiction de la réponse moléculaire à des perturbations mesurée sur des cellules uniques
Remacle, Françoise ULiege; Levine, R. D.

in Médecine/Science (2014), 30

Detailed reference viewed: 15 (2 ULiège)