A5024071457- Nanocluster Synthesis and Applications
- nanoparticles nucleation surface interactions
- Gold and Silver Nanoparticles Synthesis and Applications
- RNA and protein synthesis mechanisms
- Protein Structure and Dynamics
- Electrochemical Analysis and Applications
- Advanced Thermodynamics and Statistical Mechanics
- Electrostatics and Colloid Interactions
- Carbon Nanotubes in Composites
- RNA modifications and cancer
- Boron and Carbon Nanomaterials Research
- Theoretical and Computational Physics
- Nanopore and Nanochannel Transport Studies
- Graphene research and applications
- Spectroscopy and Quantum Chemical Studies
- Advanced Nanomaterials in Catalysis
- Catalytic Processes in Materials Science
- Surface and Thin Film Phenomena
- Advanced Polymer Synthesis and Characterization
- Synthetic Organic Chemistry Methods
- Iron oxide chemistry and applications
- Chemical Synthesis and Analysis
Massachusetts Institute of Technology
2021-2025
University of Maine
2017-2021
We present the results of molecular dynamics simulations a nanoscale electrochemical cell. The include an aqueous electrolyte solution with varying ionic strength (
In this manuscript, we explore the electrostatic environment of interface between a solid and dilute electrolyte solution, with an emphasis on electric field profiles that these systems produce. We review theoretical formalism connects potential profiles, charge density fields. This has served as basis for our understanding interfacial fields their influences microscopic chemical physical processes. Comparing various traditional models electrostatics to results molecular dynamics (MD)...
We present a systematic study of ligand-mediated nanocluster (NC) formation using kinetic model, which provides atomic insight into sub-nanometer cluster (S-NC) and NC formation. Our model describes the role nucleation growth in obtaining monodisperse NCs. Nucleation includes metal ion reduction, reversible ligand association to ion/atom, dimer nuclei. Growth can occur through autocatalytic surface ligand-associated monomer addition cluster, depending on rate neutral atom conversion....
Understanding structure formation in polypeptide chains and synthetic polymers encapsulated pores is important biology nanotechnology. We present replica exchange molecular dynamics studies of the phase diagram for α-helix capped polyalanine nanotubes (NT) open to a water reservoir as function NT diameter hydrophobicity. A helix forms only narrow range diameters, which surprisingly comparable width ribosome tunnel. Increasing hydrophobicity enhances helicity NT. Helix driven by small...
We describe a model of nanocluster formation that incorporates competition between ligand adsorption and growth. Growth occurs through the addition metal–ligand complex coalescence nanoclusters. The ligands for binding sites on nanoclusters growth creates interesting pathways. patterns are reminiscent those observed in synthesis gold thiolate For particular set rate coefficients, described herein, we observe kinetically stable participates coalescent This determines size interval resulting...
Water-mediated interactions (WMIs) play diverse roles in molecular biology. They are particularly relevant geometrically confined spaces such as the interior of chaperonin, at interface between ligands and their binding partners, ribosome tunnel. Inspired part by geometry tunnel, we consider confinement effects on stability peptides. We describe results from replica exchange dynamics simulations a system containing 23-alanine or 23-serine polypeptide to nonpolar polar nanotubes gas phase...
We describe a kinetic model of ligand-mediated nanocluster (diameter < 2 nm) formation. investigate two growth pathways: classical single-monomer addition, and autocatalytic growth. compare our results to some relevant experiments we discuss generally the optimal conditions for "bottom up" synthesis.<br>
We describe a model of nanocluster formation that incorporates competition between ligand adsorption and growth. Growth occurs through the addition metal-ligand complex coalescence nanoclusters. The ligands for binding sites on nanoclusters growth creates interesting pathways. patterns are reminiscent those observed in synthesis gold thiolate For particular set rate coefficients, described herein, we observe kinetically stable participates coalescent This determines size interval resulting...
We describe a kinetic model of ligand-mediated nanocluster (diameter < 2 nm) formation. investigate two growth pathways: classical single-monomer addition, and autocatalytic growth. compare our results to some relevant experiments we discuss generally the optimal conditions for "bottom up" synthesis.<br>
We describe a kinetic model of ligand-mediated nanocluster (diameter < 2 nm) formation. investigate two growth pathways: classical single-monomer addition, and autocatalytic growth. compare our results to some relevant experiments we discuss generally the optimal conditions for "bottom up" synthesis.
Abstract Water-mediated interactions (WMIs) play diverse roles in molecular biology. They are particularly relevant geometrically confined spaces such as the interior of chaperonin, at interface between ligands and their binding partners, ribosome tunnel. Inspired part by geometry tunnel, we consider confinement effects on stability peptides. We describe results from replica exchange dynamics simulations a system containing 23-alanine or 23-serine polypeptide to non-polar polar nanotubes gas...
We describe a model of nanocluster formation that incorporates competition between ligand adsorption and growth. Growth occurs through the addition metal-ligand complex coalescence nanoclusters. The ligands for binding sites on nanoclusters growth creates interesting pathways. patterns are reminiscent those observed in synthesis gold thiolate For particular set rate coefficients, described herein, we observe kinetically stable participates coalescent This determines size interval resulting...
We describe a model of nanocluster formation that incorporates competition between ligand adsorption and growth. Growth occurs through the addition metal-ligand complex coalescence nanoclusters. The ligands for binding sites on nanoclusters growth creates interesting pathways. patterns are reminiscent those observed in synthesis gold thiolate For particular set rate coefficients, described herein, we observe kinetically stable participates coalescent This determines size interval resulting...