Polymers that release functional small molecules under mechanical stress potentially serve as next-generation materials for catalysis, sensing, and mechanochemical dynamic therapy. To further expand the function of mechanoresponsive materials, discovery chemistries capable molecule are highly desirable. In this report, we detail a nonscissile bifunctional mechanophore (i.e., dual mechano-activated properties) based on unique reaction involving norborn-2-en-7-one (NEO). One property is carbon...

A family of easily accessible light-activated hydrazone switches has been developed having thermal half-lives up to 2700 years! Structure-property analysis shows that replacing the rotor pyridyl group our typical switch with a phenyl one leads long-lived negative photochromic compounds. The switching properties hydrazones in both toluene and DMSO were assessed offering insights into kinetics thermodynamics process.

A water-soluble supramolecular polymer based on homoditopic calixarene and viologen has been constructed, its reversible formation can be well controlled by electrochemical stimulus.

The development of new photochromic compounds and the optimization their photophysical switching properties are prerequisites for accessing functions opportunities that not possible with currently available systems. To this end we recently developed a bistable hydrazone switch undergoes efficient photoswitching emission ON/OFF toggling in both solution solid-state. Here, present systematic structure-property analysis using family hydrazones show how properties, including activation...

We employed density functional theory (DFT) to compute oxidation potentials of 1400 homobenzylic ether molecules search for the ideal sustainable redoxmer design. The generated data were used construct an active learning model based on Bayesian optimization (BO) that targets candidates with desired utilizing only a minimal number DFT calculations. demonstrated not significant efficiency improvement over random selection approach but also robust capability in identifying untested set 112 000...

The proliferation of light-activated switches in recent years has enabled their use a broad range applications encompassing an array research fields and disciplines. All current systems, however, have limitations (e.g., from complicated synthesis to incompatibility biologically relevant media lack switching the solid-state) that can stifle real-life application. Here we report on system packs most, if not all, desired, targeted sought-after traits photochromic compounds (bistability, various...

A triazolopyridinium salt chemodosimeter has been developed that displays a 60-fold enhancement in fluorescence upon reaction with cyanide. The novel, fast, selective and sensitive reaction-based indicator relies on the pseudopericyclic ring opening of bridgehead nitrogen-containing detector.

A serendipitous discovery has led to a new hydrazone-based low molecular weight fluorescent super-hydrogelator. The gelation and emission properties can be switched "ON" "OFF" using pH, enabling the sensing of biogenic amines emanating from spoiled cod.

Strain has been used as a tool to modulate the reactivity (e.g., mechanochemistry) and thermal isomerization kinetics of photochromic compounds. Macrocyclization is build-up strain in such systems, general rates increase with decrease macrocycle size. To ascertain effect on recently reported bistable hydrazone photoswitches, we incorporated them into macrocycles having varying aliphatic linker lengths (C3-C7), studied their switching behavior, size rate. Surprisingly, while systems C3-C5...

Employing bis(p-sulfonatocalix[4]arenes) (bisSC4A) and N',N''hexamethylenebis(1-methyl-4,4'-bipyridinium) (HBV(4+)) as monomer building blocks, the assembly morphologies can be modulated by cucurbit[n]uril (CB[n]) (n = 7, 8), achieving interesting topological conversion from cyclic oligomers to linear polymers. The binary supramolecular fabricated HBV(4+) bisSC4A units, forms an oligomeric structure, which was characterized NMR spectroscopy, atomic force microscopy (AFM), transmission...

A novel visible-light activated azo-BF2 switch possessing a phenanthridinyl π-system has been synthesized, and its switching properties have characterized as function of concentration. The self-aggregates through π-π interactions, the degree aggregation modulates Z → E thermal isomerization rate. This property allows for active tuning relaxation half-life same from seconds to days.

Photoswitches can be employed for various purposes, with the half-life being a crucial parameter to optimize desired application. The switching of photochromic hydrazone functionalized C6 alkyl thiolate spacer (C6 HAT) was characterized on number metal surfaces. HAT exhibits 789 years in solution. Tip-enhanced Raman spectroscopy (TERS) used study photoisomerization self-assembled monolayers (SAMs) Au, Ag, and Cu unique spectroscopic signature E isomer at 1580 1730 cm–1 TER spectra allowed...

Abstract Polymer mechanochemistry has rapidly evolved since the mid‐2000s. Recent advancements highlight development of mechanophore platforms for controlled release bioactive payloads and exploration biocompatible activation strategies. These platforms, ranging from furan‐maleimide Diels‐Alder adducts to disulfide motifs with β ‐carbonate linkages, demonstrate promising prospects in targeted drug delivery. Additionally, supramolecular assemblies free radical‐generating mechanophores present...

A linear supramolecular ternary polymer based on two host-guest interactions in an orthogonal way was constructed, by taking advantage of the distinguishable binding properties between cyclodextrin and calixarene.

Abstract The binding geometries, abilities and thermodynamic parameters for the intermolecular complexation of three water‐soluble p ‐sulfonatocalix[ n ]arenes ( SC A s), ‐sulfonatocalix[4]arene SC4A ), ‐sulfonatocalix[5]arene SC5A ‐sulfonatothiacalix[4]arene STC4A with five local anesthetics LA procaine, tetracaine, lidocaine, dibucaine, procainamide, have been determined by means 1 H NMR spectroscopy, X‐ray crystallography, isothermal titration calorimetry (ITC). obtained results show that...

Homobenzylic ethers are screened and then incorporated into redoxmers for programmable deconstruction of energy storage materials.

Aromatase is a target of pharmacological interest for the treatment estrogen-dependent cancers. In an effort to develop new therapies treat breast cancer, series 1-phenethyl-1H-[1,2,4]triazole derivatives (6a-6h) were synthesized and evaluated their efficacy as aromatase inhibitors. Biological tests suggest that these compounds exhibit mild moderate inhibitory activity aromatase. Keywords: Estrogen, inhibitor, Anticancer, Nonsteroidal, Synthesis, 1H-[1,2,4]triazole

Compounds that emit blue light are of interest for applications include optoelectronic devices and chemo/biosensing imaging. The design synthesis small organic molecules can act as high-efficiency deep-blue-light emitters in the solid state be easily processed from solutions represents a significant challenge. Herein we present preparation photophysical, photochemical electrochemical properties series triazolopyridinium triazoloquinolinium compounds. compounds soluble water or polar solvents...

Twenty-four 2-azetidinone derivatives have been designed and synthesized as cholesterol absorption inhibitors. All new compounds were evaluated for their activity to inhibit in hamsters, most of them showed considerable effects lowering the levels total serum, especially compound 2d, 4a, 4f, 4i 4j. Keywords: 2-Azetidinones, inhibitor, synthesis, bioactivities, cardiovascular research, coronary heart disease (CHD), exogenous pathways, 3-methylglutaryl, 3-hydroxy