Research Archive

Revealing Dynamic Rotation of Single Graphene Nanoplatelets on Electrified Microinterfaces

Here, we combine optical microscopy, single-entity electrochemistry, and numerical simulations to elucidate the dynamic motion of graphene nanoplatelets at a gold ultramicroelectrode (radius ∼5 μm).

Dynamical transition orbitals: A particle-hole description in real-time TDDFT dynamics

We expand the concept of natural transition orbitals in the context of real-time time-dependent density functional theory (RT-TDDFT) and show its application in practical calculations.

Nitric Oxide-Releasing Hyaluronic Acid as an Antibacterial Agent for Wound Therapy

Carboxylic acid groups of HA (6 and 90 kDa) were chemically modified with a series of alkylamines via carbodiimide chemistry to provide secondary amines for subsequent N-diazeniumdiolate NO donor formation.

When Do Polyelectrolytes Entangle?

We develop an approach based on the scaling relationship between the solution correlation length ξ = lgν/B and the number of monomers per correlation blob g for polymers with the monomer projection length l.

Bottlebrushes and Combs with Bimodal Distribution of the Side Chains Diagram of States and Scattering Function

We use a combination of scaling analysis, random phase approximation (RPA) calculations, and coarse-grained molecular dynamics (MD) simulations to elucidate properties of graft polymers with a bimodal distribution of side chains in a melt.

Theranostic Activity of Nitric Oxide-Releasing Carbon Quantum Dots

A fluorescence microscopy study demonstrated the utility of these NO-releasing CQDs as dual NO-releasing and bioimaging probes.

Multiple Classes of Antimicrobial Peptides in Amaranthus tricolor Revealed by Prediction, Proteomics, and Mass Spectrometric Characterization

Herein, Amaranthus tricolor aerial tissue was profiled via MS-based proteomics/peptidomics, identifying AMPs predicted in silico. Bottom-up proteomics identified seven novel peptides spanning three AMP classes including lipid transfer proteins, snakins, and a defensin.

Role of Axial Ligation in Gating the Reactivity of Dimethylplatinum(III) Diimine Radical Cations

Through this mechanistic analysis, we show that the one-electron oxidation of (bpy)PtII(CH3)2 generates a highly reactive, 15-electron PtIII radical cation and identify three reaction pathways that can follow this oxidation: radical–substrate dimerization, radical–radical dimerization, and oxidative disproportionation.

Redox-Induced Structural Reorganization Dictates Kinetics of Cobalt(III) Hydride Formation via Proton-Coupled Electron Transfer

These experiments reveal the details of the reaction mechanism: reduction of the Co(III) species is followed by dissociation of the bound acetonitrile ligand, subsequent reduction of the unligated Co(II) species to form a Co(I) species is followed by protonation, which occurs at the Cp ring, followed by tautomerization to generate the stable Co(III)-hydride product [HCoCp(dxpe)]+.

Milled Dry Ice as a C1 Source for the Carboxylation of Aryl Halides

Here we showcase the use of milled dry ice as a method to promote the availability of CO2 in a reaction solution, permitting practical synthesis of arylcarboxylic acids.

Temperature and Solvent Effects on H-2 Splitting and Hydricity: Ramifications on CO2 Hydrogenation by a Rhenium Pincer Catalyst

Reported here are thermochemical and kinetic analyses of a new pincer-ligated rhenium complex (tBuPOCOP)Re(CO)2 (tBuPOCOP = 2,6-bis(di-tert-butylphosphinito)phenyl) that catalyzes CO2 hydrogenation to formate with faster rates at lower temperatures.

Mimicking Biological Recognition: Lessons in Binding Hydrophilic Guests in Water

This Review highlights strategies that have been developed in the field of supramolecular chemistry to selectively and non-covalently bind three classes of biologically relevant molecules: nucleotides, carbohydrates, and amino acids.