Natural and Synthetic Oligoarylamides: Privileged Structures for Medical Applications

Privileged! Aromatic oligoamides based on pyrroles, pyridines, and p‐aminobenzoic acids are presented as privileged structures that efficiently target nucleic acids and proteins as well as complexes derived therefrom. Their design can be related to natural products such distamycin A and the cystobactamids. Abstract The term “privileged structure”...

4h

Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation

SAC reactivity from theory: A periodic conceptual DFT investigation elucidating the nature of the adsorption and catalytic activity of single silica‐supported late transition metal atoms was undertaken revealing the evidence of a strong correlation with experimental data and chemical properties. Abstract The drive to develop maximal atom‐efficient...

4h

Computational Insights into Different Mechanisms for Ag‐, Cu‐, and Pd‐Catalyzed Cyclopropanation of Alkenes and Sulfonyl Hydrazones

Barriers to reaction: The [2+1] cycloaddition reaction of a metal carbene with an alkene is investigated through DFT calculations. Efficient cyclopropanation by the silver catalyst is attributed to the barrierless concerted cycloaddition step, and the kinetic inhibition of side reaction by a high concentration of alkene. Abstract The [2+1] cycloaddition...

4h

How the Physicochemical Properties of the Bulk Material Affect the Ablation Crater Profile, Mass Balance, and Bubble Dynamics During Single‐Pulse, Nanosecond Laser Ablation in Water

The early cavitation bubble timescales of ablation of gold and aluminum targets in water are illustrated. It is evident that intensive chemical reactions occur depending on the oxidation sensitivity of the ablated material leading to different ablation depths during single pulse nanosecond laser ablation in liquids. Abstract Understanding the...

4h

High‐pressure Nucleation of Low‐Density Polymorphs**

High‐entropy nucleation and subsequent crystallization performed under high‐pressure and high‐temperature conditions lead to kinetic polymorphs of aryl disulfides, characterized by lower symmetry, higher Z’ number and lower density than the ambient‐pressure polymorphs. Abstract New polymorphs β and γ of bis‐3‐nitrophenyl disulphide, crystallized...

4h

Synthesis and Evaluation of Novel Ring‐Strained Noncanonical Amino Acids for Residue‐Specific Bioorthogonal Reactions in Living Cells

How do they click? A high throughput fluorescence flow cytometry‐based FRET assay enables us to directly measure bioorthogonal reaction kinetics in living cells. Using this assay, we test several new compounds and identify well suited strained dienophiles for genetic code expansion experiments to site‐specifically label proteins in vivo. Abstract...

4h

Electrochemically Enabled One‐Pot Multistep Synthesis of C19 Androgen Steroids

Electrochemical manipulation of corticosteroids has enabled the preparation of important C19 steroids via removal of the C17 side chain. The reagent‐free electrochemical method permitted several one‐pot multistep syntheses of androgens. Simultaneous anodic oxidation and cathodic catalytic hydrogenation of corticosteroids for the generation of saturated...

4h

The Role of the −OH Groups within Mn12 Clusters in Electrocatalytic Water Oxidation

Two new water‐soluble Mn12 clusters, 3,4DHMn12 and 2,3DHMn12, were synthesized and explored in order to understand whether the −OH substituents on the benzoate ligands within these Mn12 clusters play a role in the catalytic water oxidation process. We showed that depending on their location on the aromatic ring, the hydroxyl substituents can either...

4h

Do Sulfonamides Interact with Aromatic Rings?

Through space! It is demonstrated, by using experimental and quantum chemical techniques, that aromatic rings can stabilize sulfonamides via through‐space NH–π interactions. These findings have implications in the rational drug design targeting electron‐rich aromatic rings in proteins. Abstract Aromatic rings form energetically favorable interactions...

21h

Bicyclic Phenyl–Ethynyl Architectures: Synthesis of a 1,4‐Bis(phenylbuta‐1,3‐diyn‐1‐yl) Benzene Banister

The conjugated 1,4‐bis(phenylbuta‐1,3‐diyn‐1‐yl) benzene bridge of our terphenylic macrocycle is significantly longer than the backbone it rotates around, thereby forcing itself to bend along the central pylon. The synthesis of the macromolecule is largely based on orthogonal acetylene scaffolding strategies, allowing to sequentially finalize both macrocyclic...

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