A series of arylsulfonamide derivatives of (aryloxy)ethyl pyrrolidines and piperidines was synthesized to develop new α1-adrenoceptor antagonists with uroselective profile. Biological evaluation for α1- and α2-adrenorecepor showed that tested compounds 13–37 displayed high-to-moderate affini...

Readily available 3-bromoisothiazole-5-carbonitriles bearing various C-4 substituents [H, CO2R CN and halogen (Cl or Br)], react with either pyrrolidine or morpholine to give, in most cases, the 3-amino-substituted derivatives in high yields. The reaction of 3-bromoisothiazole-4,5-dicarbonitrile...

The domino oxidation of diols to lactones is an important transformation, and catalytic protocols that allow this conversion smoothly are scarce. Capitalizing on the established reactivity of tetramethyl-IBX (TetMe-IBX) and its in situ generation in the presence of a co-oxidant, such as oxone, w...

The regioselectivity of the cyclization reaction of 2-ethynylbenzyl alcohol and 2-ethynylbenzylamine derivatives promoted by TBAF was investigated. Six-membered ring derivatives were obtained from the compounds, which have a butyl group on the triple bond. Whereas five-membered ring products wer...

The printed cellulose and its blend materials have wide applications in many high-tech fields. Six new reactive disperse dyes (D1–D6) containing a 3-chloro-2-hydroxypropyl group based on epichlorohydrin were designed and synthesized. The electronic absorption spectra and their grafting printing...

An effective method for the synthesis of 3,4-disubstituted quinolin-2(1H)-ones was reported. α-Carbonylalkyl radical, produced by the manganese(III) acetate oxidation of α-substituted N-[2-(phenylethynyl)phenyl]acetamides, undergoes a 6-exo-dig cyclization onto the C–C triple bond efficiently...

A novel chitosan derivative, 3,6-O-[N-(2-aminoethyl)-acetamide-yl]-chitosan (AACS), was successfully prepared to improve water solubility and antibacterial activity of chitosan. AACS had good antibacterial activity, with minimum inhibitory concentrations of 0.25 mg/mL, against Escherichia coli a...

The Raman (3200—10cm−1) and infrared (3200—50 cm−1) spectra of gaseous and solid 1-chloro-2-methylpropane and 1-bromo-methylpropane, as well as the Raman spectra of the liquids, have been recorded and assigned. The gauche asymmetric torsion of the 1-chloro-2-methylpropane molecules has been ob...

The FT-IR and FT-Raman spectra of 5-Methoxyindole-3-carboxaldehyde (MICA) molecule were recorded. The experimental and theoretical vibrational wavenumbers were assigned and compared. The non-linear optical (NLO) activity of the molecule was confirmed using second harmonic generation test and com...

The new experimental results of the dually emitting ESIPT molecule, the 2,5-bis(2′-benzoxazolyl)hydroquinone (BBHQ) are presented. The results of the XRD analysis are the following: the unit cell of the monoclinic symmetry contains the perfectly planar BBHQ molecules, with two O-H⋯N intramolecu...

A series of bis-(3,5-dimethyl-4-hydroxyphenyl)(aryl)methanes (1a–i) (where aryl=phenyl, 4-methyl-phenyl, 4-methoxy-phenyl, 4-hydroxyphenyl, 3,4-dimethoxyphenyl, 3,4,5-trimethoxyphenyl, 2-naphthyl, 4-nitrophenyl, 4-hydroxy-3-methoxyphenyl) are synthesized and characterized. Bis-(3,5-dimethyl-4-h...

Detailed pictures of the excited-state intramolecular proton transfer (ESIPT) of 2,5-bis(2′-benzoxazolyl)hydroquinone (BHQ) and its water cluster have been investigated by dynamics simulations on the first lowest-excited energy using time-dependent density functional theory (TD-DFT). We focused...

The ab initio RHF and MP2 force fields were calculated for chloramide with the use of the 6-31G∗, 6-31G∗∗ and 6-311G∗∗ basis sets. The ab initio force fields obtained were scaled by fitting to the available experimental vibrational frequencies for the H2NCl, H2N37Cl and HDNCl species. This makes...

Hypochlorous acid and its acid–base counterpart, hypochlorite ions, produced under inflammatory conditions, may produce chloramides of glycosaminoglycans, these being significant components of the extracellular matrix (ECM). This may occur through the binding of myeloperoxidase directly to the ...

Hypochlorous acid and its conjugate base, hypochlorite ions, produced under inflammatory conditions, may produce chloramides of glycosaminoglycans, these being significant components of the extracellular matrix (ECM). This may occur through the binding of myeloperoxidase directly to the glycosam...

Poly(N-isopropylacrylamide), PNIPAM, when reacted with aqueous NaClO at pH 10.5 gives a stable N-chloramide copolymer, poly(NIPAM-co-NIPAMCl) with little reduction in molecular weight. The copolymer is more hydrophobic than PNIPAM, and chlorination proceeded until the copolymer phase separated. ...

Hypochlorous acid and its acid–base counterpart, hypochlorite ions, produced under inflammatory conditions, may produce chloramides of glycosaminoglycans, perhaps through the binding of myeloperoxidase directly to the glycosaminoglycans. The N–Cl group in the chloramides is a potential target ...

Irradiation of methyl 2-chloro-3-oxobutanoate (I) in 50% ethanol yielded methyl 3-oxobutanoate, 2-methyl-2-pentanol-4-one, 2,5-dioxohexane-3,4-dicarboxylic acid dimethyl ester, 4-hydroxy-4,5-dimethyltetra-hydrofuran-2-one, 2,4-dimethylfuran-3,5-dicarboxylic acid dimethyl ester, 2,4-dimethyl-3-ac...

The pyrolytic and oxidative behaviour of the biofuel 2,5-dimethylfuran (25DMF) has been studied in a range of experimental facilities in order to investigate the relatively unexplored combustion chemistry of the title species and to provide combustor relevant experimental data. The pyrolysis of ...

The reaction of 2,5-dimethylfuran (DMF) with H-atoms was studied using a potential energy surface calculated at the CBS-QB3 level of theory and master equation/RRKM modeling. Hydrogen abstraction by H-atom and hydrogen additions on DMF were considered. As the decomposition pathways of the initia...