Research Archive

All-Electron BSE@GW Method for K-Edge Core Electron Excitation Energies

We present an accurate computational approach to calculate absolute K-edge core electron excitation energies as measured by X-ray absorption spectroscopy.

RNA-Ligand Interactions Quantified by Surface Plasmon Resonance with Reference Subtraction

Here, we show that referencing to a channel containing a non-binding control RNA enables subtraction of nonspecific binding contributions, allowing measurements of accurate and specific binding affinities.

Quantitative prediction of variant effects on alternative splicing in MAPT using endogenous pre-messenger RNA structure probing

Here we use a novel chemical probing strategy to visualize endogenous precursor and mature MAPT mRNA structures in cells.

Application of an Imprint-and-Report Sensor Array for Detection of the Dietary Metabolite Trimethylamine N-Oxide and Its Precursors in Complex Mixtures

Thus, we have adapted our previously described "imprint-and-report" fluorescent sensing method using dynamic combinatorial libraries (DCLs) to create a sensor array for these four metabolites that functions at physiologically relevant concentrations.

Ketone-Olefin Coupling of Aliphatic and Aromatic Carbonyls Catalyzed by Excited-State Acridine Radicals

Herein, we describe a mild, metal-free ketone–olefin coupling reaction using an excited-state acridine radical super reductant as a photoredox catalyst.

Cluster Preface: Organic Photoredox Catalysis in Synthesis – Honoring Professor Shunichi Fukuzumi’s 70th Birthday

I am pleased to dedicate this SYNLETT Cluster in honor of Professor Shunichi Fukuzumi's 70th birthday. Prof. Fukuzumi is currently a Distinguished Professor at Ewha Womans University, Seoul, South Korea and Professor Emeritus of Osaka University, Japan.

Doubly stereoconvergent crystallization enabled by asymmetric catalysis

Herein, we report the discovery and development of a catalyst-mediated asymmetric Michael addition/crystallization–induced diastereomer transformation of broad scope.

Ultrathin Tin-Doped Titanium Oxide by Atomic Layer Deposition on a Mesoporous Substrate: Physical/Electronic Structure, Spectroelectrochemistry, and Interfacial Charge Transfer

We demonstrate that the insulating ZrO2 substrate allows for the (spectro)electrochemical analysis of ultrathin ALD coatings to assess the electronic structure as a function of composition.

Some Items of Interest to Process R&D Chemists and Engineers: Efficient Synthesis of Orphaned Cyclopropanes using Sulfones as Carbene Equivalents

In an effort to rescue these “orphaned” cyclopropanes, Wilkerson-Hill and co-workers devised a stepwise addition/1,3-elimination process involving sterically encumbered dialkylmethine-substituted tert-butyl sulfones and styrenes.

Unraveling Changes to PbS Nanocrystal Surfaces Induced by Thiols

Here, we report three separate ligand-based reaction mechanisms between oleate-capped PbS NCs and the exchange thiol ligand, undec-10-ene-1-thiol (UDT), and unveil how these three pathways are intertwined.

Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations

In this work, we present a strategy to implement the NEO method for periodic electronic structure calculations, particularly focused on multicomponent density functional theory (DFT).

Role of Nitric Oxide-Releasing Glycosaminoglycans in Wound Healing

Two glycosaminoglycan (GAG) biopolymers, hyaluronic acid (HA) and chondroitin sulfate (CS), were chemically modified via carbodiimide chemistry to facilitate the loading and release of nitric oxide (NO) to develop a multi-action wound healing agent.