The presence of catechol groups in hydrogels, either grafted to the constituting polymers or added gel formulation allow increase adhesion strength such hydrogels. In this investigation, we add pyrocatechol (1,2-benzenediol) and pyrogallol (1,2,3-benzenetriol) gelatin solution form hydrogels using sodium periodate as an oxidant with aim induce interactions between pyrocatechol/pyrogallol chains...

Site-selective dihalogenated heteroarene cross-coupling with organometallic reagents usually occurs at the halogen proximal to heteroatom, enabled by intrinsic relative electrophilicity, particularly in strongly polarized systems. An archetypical example is Suzuki–Miyaura (SMCC) of 2,4-dibromopyridine organoboron species, which typically exhibit C2-arylation site-selectivity using mononuclear P...

The molecular structures of two Pyridazine derivative;5-phenyl-6-ethyl-pyridazine-3-thione (PEPT) and 5-phenyl-6-ethylpridazine-3-one (PEPO) were simulated for corrosion inhibition efficiency using quantum chemical calculations based on density functional theory (DFT) at the B3LYP/6-31G* basis set level in order to compare relationship between their structure,electronic structure potential.The ...

An efficient, modular and straightforward entry to tetrahydropyridines and piperidines is reported. This reaction is based on a formal intramolecular hydroalkylation of readily available, properly substituted ynamides which, upon simple activation under acidic conditions, generate highly reactive activated keteniminium ions whose reactivity can be finely controlled to induce a remarkably effici...

New bis-1,3,4-thiadiazoles 1–7 were obtained by the reaction of fumaric acid and N-(alkyl/aryl/cyclic)thiosemicarbazides in presence phosphorous oxychloride. The structures all compounds elucidated FT-IR, 1H NMR, 13C NMR elemental analysis. Antibacterial activity was studied for eight selected bacteria. Compounds 2–7 exhibited effect on Klebsiella pneumoniae. However, none Pseudomonas aeruginos...

In this communication we draw attention on serious flaws that plague recently reported antioxidant properties of atorvastatin (ATV) in methanol. First and foremost, emphasize the O-H bond dissociation energies (BDE) about 400 kcal/mol previously are completely wrong. Further, present results refuting previous claim proton affinity (PA) ATV is smaller than ascorbic acid. That unfounded relies in...

Copper corrosion inhibition by Emilia sonchifolia (ES) leaf extract has been studied in 2 M hydrochloric acid solution using electrochemical measurement, energy dispersive X-ray emission spectroscopy and surface examination techniques. Computational simulations were adopted to describe probable reactiveness of individual ES constituents mechanism interaction with copper crystal. Results obtaine...

In this paper, we introduce new features of silicon in fullerane structures. Silicon, when placed a structure, increases its electron affinity and electrophilicity index, compared to placement diamondoids structure. These nanoparticles can be used make optical sensors detect viral environments. work, theoretically examine the changes UV-Visible spectrum sila-fulleranes by interacting with spike...

Porphobilinogen synthase condenses two molecules of 5-aminolevulinate in an asymmetric way. This unusual transformation requires a selective recognition and differentiation between the substrates ending up in the A site or in the P site of porphobilinogen synthase. Studies of inhibitors based on the key intermediate first postulated by Jordan allowed differentiation of the two recognition sites...

Transition metal-catalyzed radical-radical cross-coupling reactions provide innovative methods for C-C and C-heteroatom bond construction. A theoretical study was performed to reveal the mechanism and selectivity of the copper-catalyzed C-N radical-radical cross-coupling reaction. The concerted coupling pathway, in which a C-N bond is formed through the direct nucleophilic addition of a carbon ...