Research Archive

Water’s Variable Role in Protein Stability Uncovered by Liquid-Observed Vapor Exchange NMR

Here, we apply LOVE NMR, Fourier transform infrared spectroscopy, and solution hydrogen–deuterium exchange to globular proteins GB1, CI2, and two variants thereof to link mutation-induced changes in the dehydrated protein structure to changes in solution structure and stability.

All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework

Presented here are high-precision all-electron RT-TDDFT and it-TDDFT implementations within a numerical atom-centered orbital (NAO) basis function framework in the FHI-aims code.

Dynamical spectroscopy and microscopy of proteins in cells

Here, we discuss this recent work and the emerging picture of protein surfaces as not just hydrophilic coats interfacing the solvent to the protein's core and functional regions, but as critical components in cells controlling protein mobility, function and communication with post-translational modifications.

Polymer Skeletal Editing via Anionic Brook Rearrangements

This work demonstrates that poly(silyl ether)s can be derived from poly(acyl silane)s through Brook rearrangements and Brook/benzoin sequences. Such skeletal editing is a powerful strategy to install functionality and modify properties of polymeric materials.

Sigmatropic Rearrangements of Polymer Backbones: Vinyl Polymers from Polyesters in One Step

This work demonstrates that industrially-relevant vinyl polymers can be derived from polyesters through a sigmatropic rearrangement. Such editing of the polymer skeleton leads to dramatic changes in the thermal properties of the materials, and provides access to novel polymer compositions and structural precision.

Influence of Surface and Structural Variations in Donor–Acceptor–Donor Sensitizers on Photoelectrocatalytic Water Splitting

In this work, we compare the optoelectronic properties and photoelectrochemical performance of two D–A–D structural isomers with thiophene-X-carboxylic acid (X denotes 3 and 2 positions) derivatives and 2,1,3-benzothiadiazole as the D and A moieties, respectively.

Photodriven water oxidation initiated by a surface bound chromophore-donor-catalyst assembly

Here, we describe a single molecular assembly electrode that duplicates the key components of PSII.

Diastereoselective Synthesis of the ABCD Ring System of Rubriflordilactone B

The order in which a ring-closing metathesis and enolate oxidation were performed on this compound dictated the relative stereochemistry of the target.

Dye-sensitized solar cells strike back

This review summarizes the advancements in the field over the last decade, encompassing all aspects of the DSC technology: theoretical studies, characterization techniques, materials, applications as solar cells and as drivers for the synthesis of solar fuels, and commercialization efforts from various companies.

Light-Triggered Drug Release from Red Blood Cells Suppresses Arthritic Inflammation

The design and application of a light-responsive red blood cell (RBC)-conveyed dexamethasone (Dex) construct that enables targeted drug delivery upon illumination of the inflamed site is described.

Reversible-Addition Fragmentation Chain Transfer Step-Growth Polymerization

Herein, we synergistically combine RAFT and step-growth polymerization mechanisms, by employing a highly selective insertion process of a single monomer with a RAFT agent, to achieve RAFT step-growth polymerization.

Stereodivergent Nucleophilic Additions to Racemic β-Oxo Acid Derivatives: Fast Addition Outcompetes Stereoconvergence in the Archetypal Configurationally Unstable Electrophile

This article describes stereodivergent Cu-catalyzed borylative cyclizations of racemic β-oxo acid derivatives bearing tethered pro-nucleophilic olefins to deliver highly functionalized cyclopentanols containing four contiguous stereogenic centers.