This article tests an assembly consisting of CdSe quantum dots and [Fe₃Te₂(CO)₉] as a catalytic system for proton reduction in aqueous solution.

Article presenting a novel window-space-directed assembly strategy for the synthesis of zeolitic mesoporous MOFs with ultramicroporous apertures based on supertetrahedral building units. This article provides an effective and innovative strategy and paves the way for the future design and synthesis of functional, highly connected materials for various applications.

This article presents a new type of push–pull charge transfer complex, viz., a spiro-locked N-heterocycle-fused zinc porphyrin, ZnP-SQ, that is shown to undergo excited state charge separation, which is enhanced by axial F⁻ binding to the Zn center. Spectroelectrochemical studies are used to identify the spectra of charge separated states and charge separation upon photoexcitation of ZnP is established.

This article hypothesizes and demonstrates a new mechanism to stabilize the charge separated states via the process of electron exchange among the different acceptor entities in multimodular donor–acceptor conjugates. This work constitutes the first example of stabilizing charge-separated states via the process of electron exchange.

This article obtains two few-atom heterometallic gold–silver hepta-/decanuclear clusters, denoted Au₆Ag and Au₉Ag, and determines their structures by X-ray diffraction and mass spectrometry.

Article presents a general route to hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Molecular Dynamics for complex systems using a polarizable embedding.

Article describes an efficient strategy for designing charge-transfer complexes using coinage metal cyclic trinuclear complexes (CTCs).

This article is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.

Article uses acid-resistant metal-organic framework nanoparticles (UiO-68-NH2) to encapsulate sufficient insulin and decorated the exterior with targeting proteins (transferrin) to realize highly efficient oral insulin delivery.

Article using first-principles simulations to predict room temperature ferroelectricity in a representative of the formate family, [NH₂NH₃][Co(HCOO)₃].

This article uses the relative rate method to determine the rate constant for the reaction of heptafluorobut-1-ene (CF₂=CFCF₂CF₂H) with chlorine atoms in air.

Article reports a strategy to construct highly efficient perfluorooctanoic acid (PFOA) adsorbents by installing synergistic electrostatic/hydrophobic sites onto porous organic polymers (POPs).

Article discussing an investigation of the reaction of H + CS₂ products. The reaction was found to be pressure dependent and in the fall-off region or near the low pressure limit. Transition state theory yields an estimate for the high-pressure limit of addition over 290–300 K of 1.3 × 10−9 exp( −7.2 kJ mol −1 /RT) cm3 molecule −1 s −1. Uncertainties are discussed in the text.

Article discussing further analyses of the recent report (by Sandeepa et al.) on the solubility of benzoic acid in six monosolvents (i.e. tributyl phosphate, diacetone alcohol, methyl-n-propyl ketone, methyl acetate, amyl acetate, and isooctane) and five binary systems (i.e. ethanol + hexane, isopropyl alcohol + hexane and chloroform + hexane, acetone + hexane, and acetone + water) along with some numerical analyses. The reported calculations have been reanalyzed based on combined nearly ideal binary solvent/Redlich-Kister, the modified Wilson model, general single model, Jouyban–Acree model and Jouyban–Acree–van’t Hoff model. The investigated models provide good estimation of the solubility behavior of benzoic acid in the binary solvent mixtures at various temperatures.

Features commentary on the previously published article "What if Cocrystallization Fails for Neutral Molecules? Screening Offered Eutectics as Alternate Pharmaceutical Materials: Leflunomide-A Case Study”

This article explores research to determine the apparent specific volume of sucrose by measuring the density of sucrose in {cosolvent + water} mixtures at 298.2 K. The study finds that a mean apparent specific volume value of 0.632 cm³.g⁻¹ for sucrose in different aqueous-cosolvent mixtures could be adequate for practical purposes in pharmaceutical industries.

Article describes the high-quality, 887-Mb genome of jojoba assembled into 26 chromosomes with 23,490 protein-coding genes.

Data management plan for the grant "Functional Porous Organic Polymers as Advanced Decontamination Materials for Water Purification." This project seeks to develop and deploy a new class of porous organic polymers which have high capacity and selectivity to rapidly remove heavy metal contaminants well below parts per million level standards set by the Environmental Protection Agency. The project will engineer porosity and surface chemistry of porous organic polymers to clean inorganic heavy metal contaminants from both surface water and wastewater. Porous organic polymers are robust, chemically and thermally stable, scalable, and modular, with very high surface area. The modularity of these polymers allows for a molecular-level tuning of the pore structure and surface chemistry that allows for engineered site-specificity of binding sites that target the heavy metal contaminants. Recent data shows these new materials offer a significant increase in capacity relative to benchmark materials, with a rapid removal of mercury and other heavy metal ions. This project will advance the concept by exploring rational design of these porous polymers with different topologies by customizing the monomer with various binding groups. The objectives of the project include design, synthesis, and characterization, followed by assessment of these materials to remove inorganic contaminants …

This article presents a novel method of in-situ investigation of the device corrosion process to capture the real time mechanistic information not obtained in standard reliability testing.

This article prepares and examines Bis(phosphinidene)-capped triiron carbonyl clusters, including electron rich derivatives formed by substitution with chelating diphosphines as proton reduction catalysts.

Data management plan for the grant, "MRI: Acquisition of a High Performance Hybrid Computer Cluster for Computational Modeling." Research grant for the purchase, installation, and operation of a new high-performance computing (HPC) resource, called CRUNTCH4, to be deployed at the University of North Texas’ (UNT) Center for Advanced Scientific Computing and Modeling (CASCaM). This much needed HPC resource combines different computing architectures and significant amounts of data storage, all connected via a high-speed communications fabric. This computing resource will provide the means for CASCaM investigators to continue research on a broad range of topics including quantum chemistry, materials design, biomolecular simulations, machine-learning based chemical discovery, and bioinformatics, among others.

This article is a review discussing the rational design and synthesis of bifunctional conjugated microporous polymers (CMPs), summarizes their advanced applications, and concludes with the authors' perspectives on the research prospects of these materials.

Article analyzes the origins of the complex Fe 2p X-Ray Photoelectron Spectra (XPS) of hematite (α-Fe₂O₃) and is related to the character of the bonding in this compound. This analysis provides a new and novel view of the reasons for XPS binding energies (BEs) and BE shifts, which deepens the current understanding and interpretation of the physical and chemical significance of the XPS. This article is part of the JCP Special Topic on Oxide Chemistry and Catalysis.

Article reports light induced charge separation in a newly synthesized triphenylamine–thiophene-Sc₃N@Iₕ-C₈₀ donor–acceptor conjugate and its C₆₀ analog, triphenylamine–thiophene-C₆₀ conjugate, and the significance of the thiophene spacer in promoting electron transfer events.