We use the molecular dynamics (MD) simulations to study the important properties of gas X (X=H2O, CH4, O2) adsorbed-poly(4-methyl-1-pentene) (PMP) and our results clarify that the H2O and CH4 molecules can increase the glass transition temperature (Tg) of PMP while O2 molecules can decrease the ...
The synthesis of (E)-2-aryl-1-methyl-3-styrylquinolin-4(1H)-ones, through the Heck reaction of 2-aryl-3-iodo-1-methyl-quinolin-4(1H)-ones with styrene is described. 2-Aryl-3-iodo-1-methyl-2-quinolin-4(1H)-ones can be obtained efficiently in a two-step transformation, methylation followed by in s...
Two new 14-noreudesmane sesquiterpenes, one new phenylpropane heterodimer, caulilexin C, and uvaol were isolated from the 70% MeOH extract of the fruit peel of Elaeagnus rhamnoides. The structures of the compounds were elucidated by HRESIMS and advanced NMR methods. The absolute configuration of...
E and Z methyl styryl sulfides undergo highly regioselective cycloadditions with benzo and mesitonitrile oxide. The regioselectivity is lower with sulfoxides and is reversed in the case of sulfones. The directing effect of the thio moieties has been clarified in the framework of the frontier mod...
Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with “oxadiazole”. A series of cinnamic acid derivatives (styryl oxadiazoles) were designed an...
Esters of N-hydroxypyridine-2-thione (Barton esters, BE) were appended to a carboxylated poly(arylene ether sulfone), PSF-COOH, backbone. Irradiation of the polymer bound Barton ester in monomer/DMF solution initiated a free radical graft polymerization at 25°C without promoting concomitant hom...
Novel photoactive divinyl sulfides and sulfones have been obtained by a straightforward approach using a Wittig–Horner reaction. These compounds behave as quadrupolar chromophores and show absorption in the UV region and fluorescence emission tailored by the solvent polarity due to an intramole...
The simultaneous adsorption behavior and competitive interactions between As(III), As(V), Sb(III) and Sb(V) by ferrihydrite were evaluated in multi-component (binary, ternary, quaternary) systems. In binary systems, Sb(III) had a stronger inhibitory influence on As(III) adsorption than Sb(V) did...
Several pyrido[2,3-d]azepines and pyrido[3,4-d]azepines, novel aza analogs of the pharmacologically relevant 1-aryl-3-benzazepines, were synthesized by assembling the azepine ring by reductive cyclization of (2-methoxyvinyl)pyridinyl(aryl)acetonitrile derivatives, which were easily derived from ...
A quantitative structure activity relationship analysis has been applied to a data set of 20 N-phenyl-N′-(4-pyridinyl)-urea derivatives with anticonvulsant activity. Semi-empirical quantum chemical calculations at AM1 level was used to find the optimum 3D geometry of the studied molecules. Four...
A series of novel 2-pyridinyl-3-(4-methylsulfonyl)phenylpyridines has been synthesized and evaluated with respect to their ability to inhibit the isozymes of cyclooxygenase, COX-1, and COX-2. Optimum COX-2 activity is observed by introduction of a substituent at C5 of the central pyridine. 5-Chl...
The solid-state structures and unequivocal stereochemistries of isomeric pyridine-based leuco-triarylmethane (LTAM) dyes 2,2′-(2-(pyridin-4 or 3-yl)propane-1,3-diylidene)bis(5-chloro-1,3,3-trimethylindoline) derivatives were established by X-ray crystallography. Surprisingly, the EE isomer was ...
Corrosion inhibition behavior of 2-amino-5-(4-pyridinyl)-1,3,4-thiadiazole (4-APTD) monolayers on copper surface were investigated by electrochemical impedance spectroscopy (EIS), electrochemical polarization measurement and surface-enhanced Raman scattering (SERS) experiment. The EIS mechanism ...
Human rhinoviruses (HRVs) are the most common cause of viral respiratory infections and their complications. So far, no anti-viral agent has been approved for prevention or treatment of HRV infections. Pursuing our researches on small molecules with anti-rhinovirus activity, in this paper we des...
A series of 1-thiocarbamoyl-3-phenyl-5-hydroxy-5-(2-pyridyl)-4-pyrazolines derivatives have been synthesized using sodium acetate as a catalyst. The spectral characterization and structure of 1-thiocarbamoyl-3-phenyl-5-hydroxy-5-(2-pyridyl)-4-pyrazolines are reported. Spectral techniques employe...
Comprehensive investigation of molecular geometry and electronic structure of 5-(4-Pyridinyl)-1,3,4-thiadiazol-2-amine in ground as well as in the first excited state has been carried out. The stable conformers of the title compound have been determined from the 3D potential energy scan by varyi...
The self-association of n-hexyltrimethylammonium bromide (C6TAB) in aqueous solution has been examined as a function of temperature and electrolyte concentration. The critical micelle concentration (CMC) and the degree of counterion binding (β) were determined by conductivity measurement at tem...
The trypsin-activated Ca2+ -ATPase of spinach chloroplast membranes was completely inhibited by treatment with naphthylglyoxal, a fluorescent compound that should bind covalently to arginine residues. The inhibition followed apparent first-order kinetics. The apparent order of reaction with resp...
Stereoselective synthesis of the title compounds was performed. The relative configuration of methyl t-4-(tert-butoxycarbonylamino)-c-3-hydroxy-r-1-cyclohexanecarboxylate and methyl trans-4-(tert-butoxycarbonylamino)-3-oxo-r-1-cyclohexanecarboxylate was confirmed by X-ray diffraction methods. An...
A N-heterocyclic carbene (NHC) catalyzed addition reaction of 3-trimethylsilyl propiolate with aldehydes has been developed. Under the catalysis of 2 mol% NHCs, benzaldehyde, furfural, β-naphthaldehyde, meta- and para-substituted aromatic aldehydes reacted with 3-trimethylsilyl propiolate to af...
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