Search Results - "Nicolaı̈, Adrien"

Temperature-Dependent and Bistable Current–Voltage Measurements in Zinc Porphyrin Molecular Junctions by Saha, Swatilekha, Nicolaı̈, Adrien, Owens, Jonathan R, Krawicz, Alexandra, Dinolfo, Peter H, Meunier, Vincent, Lewis, Kim M

“…We report bistability in current–voltage curves from di­(PEP)­PorZn in an electromigrated molecular junction. Bistability was observed at ±0.3 V at 300 K but…”
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Angstrom-Size Defect Creation and Ionic Transport through Pores in Single-Layer MoS2 by Thiruraman, Jothi Priyanka, Fujisawa, Kazunori, Danda, Gopinath, Das, Paul Masih, Zhang, Tianyi, Bolotsky, Adam, Perea-López, Néstor, Nicolaï, Adrien, Senet, Patrick, Terrones, Mauricio, Drndić, Marija

“…Atomic-defect engineering in thin membranes provides opportunities for ionic and molecular filtration and analysis. While molecular-dynamics (MD) calculations…”
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On-Surface Cyclization of ortho-Dihalotetracenes to Four- and Six-Membered Rings by Sánchez-Sánchez, Carlos, Nicolaï, Adrien, Rossel, Frédéric, Cai, Jinming, Liu, Junzhi, Feng, Xinliang, Müllen, Klaus, Ruffieux, Pascal, Fasel, Roman, Meunier, Vincent

“…We report on the surface-catalyzed formal [2+2] and [2+2+2] cycloadditions of ortho-activated tetracene species on a Ag(111) substrate under ultrahigh vacuum…”
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Nanopore sensing of single-biomolecules: a new procedure to identify protein sequence motifs from molecular dynamics by Nicolaï, Adrien, Rath, Aniket, Delarue, Patrice, Senet, Patrick

“…Solid-state nanopores have emerged as one of the most versatile tools for single-biomolecule detection and characterization. Nanopore sensing is based on the…”
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Molecular dynamics simulations of 2D-layered graphene sheets with tandem repeat proteins by Colak, Oguzhan, Nicolaï, Adrien, Meunier, Vincent, Demirel, Melik C.

“…Composites with well-ordered and precisely designed molecular structures have the potential to showcase extraordinary physical properties. A high degree of…”
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On-Surface Synthesis of BN-Substituted Heteroaromatic Networks by Sánchez-Sánchez, Carlos, Brüller, Sebastian, Sachdev, Hermann, Müllen, Klaus, Krieg, Matthias, Bettinger, Holger F, Nicolaï, Adrien, Meunier, Vincent, Talirz, Leopold, Fasel, Roman, Ruffieux, Pascal

“…We report on the bottom-up fabrication of BN-substituted heteroaromatic networks achieved by surface-assisted polymerization and subsequent…”
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DNA Translocation in Nanometer Thick Silicon Nanopores by Rodríguez-Manzo, Julio A, Puster, Matthew, Nicolaï, Adrien, Meunier, Vincent, Drndić, Marija

“…Solid-state nanopores are single-molecule sensors that detect changes in ionic conductance (ΔG) when individual molecules pass through them. Producing high…”
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Theoretical Insights into Sub-Terahertz Acoustic Vibrations of Proteins Measured in Single-Molecule Experiments by Nicolaï, Adrien, Delarue, Patrice, Senet, Patrick

“…Proteins are an important class of nanobioparticles with acoustical modes in the sub-THz frequency range. There is considerable interest to measure and…”
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On‐Surface Synthesis and Characterization of Acene‐Based Nanoribbons Incorporating Four‐Membered Rings by Sánchez‐Sánchez, Carlos, Dienel, Thomas, Nicolaï, Adrien, Kharche, Neerav, Liang, Liangbo, Daniels, Colin, Meunier, Vincent, Liu, Junzhi, Feng, Xinliang, Müllen, Klaus, Sánchez‐Valencia, Juan Ramón, Gröning, Oliver, Ruffieux, Pascal, Fasel, Roman

“…A bottom up method for the synthesis of unique tetracene‐based nanoribbons, which incorporate cyclobutadiene moieties as linkers between the acene segments, is…”
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Molecular Dynamics Simulations of Graphene Oxide Frameworks by Nicolaï, Adrien, Zhu, Pan, Sumpter, Bobby G, Meunier, Vincent

“…We use quantum mechanical calculations to develop a full set of force field parameters in order to perform molecular dynamics simulations to understand and…”
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Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry by Petraglia, Riccardo, Nicolaï, Adrien, Wodrich, Matthew D., Ceriotti, Michele, Corminboeuf, Clemence

“…Computational studies of organic systems are frequently limited to static pictures that closely align with textbook style presentations of reaction mechanisms…”
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Einstein Model of a Graph to Characterize Protein Folded/Unfolded States by Tyler, Steve, Laforge, Christophe, Guzzo, Adrien, Nicolaï, Adrien, Maisuradze, Gia G, Senet, Patrick

“…The folded structures of proteins can be accurately predicted by deep learning algorithms from their amino-acid sequences. By contrast, in spite of decades of…”
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Improved model of ionic transport in 2-D MoS2 membranes with sub-5 nm pores by Pérez, María Daniela Barrios, Nicolaï, Adrien, Delarue, Patrice, Meunier, Vincent, Drndić, Marija, Senet, Patrick

“…Solid-state nanopores made of two-dimensional materials such as molybdenum disulfide are of great interest thanks in part to promising applications such as ion…”
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Decipher the mechanisms of protein conformational changes induced by nucleotide binding through free-energy landscape analysis: ATP binding to Hsp70 by Nicolaï, Adrien, Delarue, Patrice, Senet, Patrick

“…ATP regulates the function of many proteins in the cell by transducing its binding and hydrolysis energies into protein conformational changes by mechanisms…”
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Molecular Dynamics Investigation of Polylysine Peptide Translocation through MoS2 Nanopores by Nicolaï, Adrien, Barrios Pérez, Maria Daniela, Delarue, Patrice, Meunier, Vincent, Drndić, Marija, Senet, Patrick

“…Solid-state nanopores (SSN) made of two-dimensional materials such as molybdenum disulfide (MoS2) have emerged as candidate devices for biomolecules…”
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Structural Analysis of the Drosophila melanogaster GSTome by Petiot, Nicolas, Schwartz, Mathieu, Delarue, Patrice, Senet, Patrick, Neiers, Fabrice, Nicolaï, Adrien

“…Glutathione transferase (GST) is a superfamily of ubiquitous enzymes, multigenic in numerous organisms and which generally present homodimeric structures. GSTs…”
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Structure–activity analysis suggests an olfactory function for the unique antennal delta glutathione transferase of Apis mellifera by Schwartz, Mathieu, Boichot, Valentin, Muradova, Mariam, Fournier, Pablo, Senet, Patrick, Nicolai, Adrien, Canon, Francis, Lirussi, Frederic, Ladeira, Ruben, Maibeche, Martine, Chertemps, Thomas, Aubert, Emmanuel, Didierjean, Claude, Neiers, Fabrice

“…Glutathione transferases (GST) are detoxification enzymes that conjugate glutathione to a wide array of molecules. In the honey bee Apis mellifera, AmGSTD1 is…”
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Exploiting Dispersion-Driven Aggregators as a Route to New One-Dimensional Organic Nanowires by Nicolaï, Adrien, Liu, Hongguang, Petraglia, Riccardo, Corminboeuf, Clémence

“…The efficiency of charge carrier mobility in organic semiconductors is heavily dependent upon the long-range organization (i.e., morphology) and the local…”
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Wild-Type α-Synuclein and Variants Occur in Different Disordered Dimers and Pre-Fibrillar Conformations in Early Stage of Aggregation by Guzzo , Adrien, Delarue , Patrice, Rojas, Ana, Nicolaï , Adrien, Maisuradze , Gia G., Senet, Patrick

“…α -Synuclein is a 140 amino-acid intrinsically disordered protein mainly found in the brain. Toxic α -synuclein aggregates are the molecular hallmarks of…”
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Electrolyte Diffusion in Gyroidal Nanoporous Carbon by Nicolaï, Adrien, Monti, Joseph, Daniels, Colin, Meunier, Vincent

“…The structural properties of gyroidal nanoporous carbon (GNC) materials and their diffusion properties are investigated using a combination of molecular…”
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