Bioimaging of thiazolidine-4-one-based new probes, fluorimetric detection of Cu "on-off" sensor property, DFT calculation, molecular docking studies, and multiple real samples application.

Thiazolidinones have been the subject of various research areas for their biological activities, thus they were promising scaffolds to develop new drug agents. A novel thiazolidine 4-one-based fluorescent chemosensor probes PS (thiazolidine) and BO (oxazolidine) were designed and synthesized. Both probes showed specific recognition against Cu via a "turn-off" fluorescence response in ACN/HO (v/v: 50/50) stock solution (10 mM, pH = 7.

Synthesis of biscarbazole derivative, detection of the "on-off" sensor property of Cu by fluorimetry, and anti-cancer evaluation.

Biscarbazole derivative probe (6) (Z)-2-(3-(((9-heptyl-9H-carbazol-3-yl)methylene)amino)-9H-carbazol-9-yl)ethan-1-ol containing an imine group, which is a sensitive and selective fluorescence chemosensor, was designed and synthesized for the effective evaluation of Cu metal ion levels. The synthesized compounds were characterized using H NMR, C NMR, FT-IR, and MALDI-TOF MS (for compound 6) spectroscopic data. The interaction model between probe 6 and Cu was determined by combining fluorescence methods, H NMR titration, Job's plot, and theoretical calculations.

Theoretical insight into the regioselective formation of pyrazolo[1,4]-oxazepine and -oxazines.

AuCl-, AuCl-, or AuClPEt-catalyzed formation mechanisms of pyrazolo[1,4]oxazepines and the NaH-promoted mechanism of pyrazolo[1,4]oxazines were investigated computationally. The structural properties of the reactants were studied in various solvents and with different functionals. The hybrid functionals B3LYP, M06, M06-2X, PBEPBE, and wB97X-D in density functional theory were used to determine and discuss the energetics of the compounds.

Computational analysis of the formation mechanisms of carbazoles.

Gold-, platinum-, and silver-catalyzed formation mechanisms of carbazole alkaloids were investigated computationally. The structural properties of the reactants were studied in various solvents and with different functionals. The hybrid functionals B3LYP and M06-2X in density functional theory were used to determine and discuss the energetics of the compounds.

Fabrication and Molecular Modeling of Navette-Shaped Fullerene Nanorods Using Tobacco Mosaic Virus as a Nanotemplate.

To date, metallization studies have been performed with the nanometer-scale template, Tobacco Mosaic Virus (TMV). Here we show that fullerenes as well can be deposited on TMV coat protein in a controlled manner. Two methods were followed for the coating process.

Nucleophilic and electrophilic cyclization of -alkyne-substituted pyrrole derivatives: Synthesis of pyrrolopyrazinone, pyrrolotriazinone, and pyrrolooxazinone moieties.

Intramolecular nucleophilic and electrophilic cyclization of alkyne-substituted pyrrole esters is described. Efficient routes towards the synthesis of pyrrolopyrazinone, pyrrolotriazinone and pyrrolooxazinone have been developed. First, -alkyne-substituted pyrrole ester derivatives were synthesized.

Intramolecular Gold-Catalyzed and NaH-Supported Cyclization Reactions of N-Propargyl Indole Derivatives with Pyrazole and Pyrrole Rings: Synthesis of Pyrazolodiazepinoindole, Pyrazolopyrazinoindole, and Pyrrolopyrazinoindole.

Gold-catalyzed and NaH-supported intramolecular cyclization of N-propargyl indole derivatives with pyrazole and pyrrole units attached to indole is described. An efficient route to the synthesis of pyrazolodiazepinoindole, pyrazolopyrazinoindole, and pyrrolopyrazinoindole has been established. First, N-propargyl 2-(1H-pyrazol-5-yl)-1H-indole and 2-(1H-pyrrol-2-yl)-1H-indole were synthesized.

Design of pyrazolo-pyrrolo-pyrazines and pyrazolo-pyrrolo-diazepines via AuCl₃-catalyzed and NaH-supported cyclization of N-propargyl pyrazoles.

A concise synthetic methodology for new heterocyclic scaffolds, such as pyrazolo-pyrrolo-pyrazine and pyrazolo-pyrrolo-diazepine skeletons, was developed. The key features of this method include (i) synthesis of pyrrole-derived α,β-alkynyl ketones, (ii) introduction of various substituents into the alkyne functionality by Sonogashira cross-coupling, (iii) synthesis of pyrazole units by the reaction of α,β-alkynyl compounds with hydrazine monohydrate, (iv) gold-catalyzed cyclization of pyrazoles with alkyne units, and (v) cyclization with NaH. Furthermore, this methodology allows various substituents to be introduced into all positions of the target compounds.