Hexachlorobenzene (HCB) is an organochlorine pesticide widely distributed in the environment. Chronic exposure of humans to HCB leads to a number of effects, such as triggering of porphyria, microsomal enzyme induction, thyroid dysfunctions, neurological symptoms, and immunological disorders. In...

Hexachlorobenzene is highly persistent, bioaccumulative, toxic and globally distributed, a model persistent organic pollutant. The major atmospheric removal process for hexachlorobenzene is its oxidation by hydroxyl radicals. Unfortunately, there is no information on the reaction mechanism of th...

Flavin-N5-oxide is a new intermediate in flavoenzymology. Here we describe the identification of DszA (dibenzothiophene catabolism), RutA (uracil catabolism) and HcbA1 (hexachlorobenzene catabolism) as flavin-N5-oxide-utilizing enzymes. Mechanistic analysis of these reactions suggests a model fo...

In this work, we present solid-state IR and Raman spectra of 3-hydroxy-2-methyl-4H-pyran-4-one, so-called maltol. Maltol is a natural, non-toxic compound used as a food additive. In coordination chemistry, maltol is widely known as a potent monoanionic, bidendate metal chelator. Various maltol c...

4,5,6-Triaminopyrimidine reacts in acidic aqueous media with selenium (IV) to give a piazselenol which has an absorption maximum at 362 nm with a molar absorptivity of 1.72 × 104 1.mole−1.cm−1. The compound is stable but not extractable into non-polar solvents. The calibration graph is linear u...

By using resonance-enhanced two-photon ionization in a supersonic beam, photoionization spectra of the m/z 160, 162 and 164 species of the 2,4-, 3,4- and 2,6-dichlorotoluene isomers at 0.8 K rotational temperature have been obtained in the 2800 Å spectral region. The ions have been analyzed acco...

The temperature dependence of the NQR frequencies and spin—lattice relaxation time of 2,6-dichlorotoluene are investigated in the temperature range 60–160 K.From the NQR spectral data a possible molecular arrangement is suggested. Besides, the observed T1(T) behaviour can be explained by using...

The scaling-up of the gas phase catalytic ammoxidation of 2,6-dichlorotoluene (DCT) to 2,6-dichlorobenzonitrile (DCBN) over vanadium phosphate catalyst in a pilot plant was investigated. The focus was led on the process variables that might be critical for designing a commercial manufacturing un...

The kinetics of the vapour-phase ammoxidation of 2,6-dichlorotoluene (DCT) to 2,6-dichlorobenzonitrile (DCBN) over a vanadium phosphorus oxide (VPO) catalyst was investigated. In this paper, the main focus is on developing a mathematical model to describe the reaction kinetics of ammoxidation of...

Ammoxidation of 2,6-dichlorotoluene to 2,6-dichlorobenzonitrile is indeed an industrially important reaction for producing various commercially useful chemicals. In this contribution, differences in the catalytic performance of bulk, supported and promoted VPO samples are described. The choice o...

The FT-IR and FT-Raman spectra of α-bromo-2,6-dichlorotoluene (αBDCT) have been recorded. The structural and spectroscopic data of the molecule in the ground state have been calculated using Hartree Fock (HF) and Density Functional Theory (DFT)/B3LYP with the standard 6-31++G(d,p) basis set. T...

Vanadium-chromium oxides (VCrO) were usually prepared by high-temperature solid-state reactions; however, mixed phases were frequently produced and the morphology of the products was not well controlled. In this work, we prepared amorphous VCrO precursors by using V2O5 and CrO3 and alcohols or m...

The binding of the ethyl p-hydroxybenzoate with β-CD was investigated using PM3MM and ONIOM2 (MPW1PW91/6-31G: PM3MM) methods. Two modes of complexation were considered for studying such complex. In A complex the OH group of the guest was pointed toward secondary hydroxyls of β-CD, while in B c...

The solubility of ethyl p-hydroxybenzoate, ethyl p-aminobenzoate in supercritical carbon dioxide was determined at (308, 318, 328 K) in the pressure range from 8 to 21 MPa in the case of pure ethyl p-hydroxybenzoate and pure ethyl p-aminobenzoate and for equalmolar mixtures of ethyl p-hydroxyben...

Efficient synthesis of quinoxalines from gallic acid ethyl ester is reported for the first time in this study. The results show the production of three heterocyclic amines instead of the amides expected from aminolysis reactions. Ethyl 8-hydroxy-1,2,3,4-tetrahydroquinoxaline-6-carboxylate G-A1, ...

Calorimetric experiments performed for ethyl 2-aminobenzoate and ethyl 3-aminobenzoate allowed the determination of their standard (p° = 0.1 MPa) molar enthalpies of formation, in the gaseous phase, at T = 298.15 K. The techniques used were static bomb combustion calorimetry and high temperatur...

The ethyl 4-hydroxybenzoate single crystals were grown by modified vertical Bridgman technique using two different temperature profiles. The grown ethyl 4-hydroxybenzoate crystals were confirmed by single crystal X-ray diffraction studies. Fourier Transform Infrared spectroscopy (FTIR) studies i...

In this work, we report the molar enthalpies of formation of ethyl 2-, 3-, and 4-hydroxybenzoates in gas-phase at T = 298.15 K, derived from experimental techniques such as static-bomb combustion calorimetry, differential scanning calorimetry, and thermogravimetric analysis. We calculated as wel...

A Pd-catalyzed orthogonal synthesis of substituted 2-hydroxybenzoates and substituted cyclohexanones was developed for the first time. The substituted 2-hydroxybenzoates were obtained from acyclic unsaturated 1,3-carbonyl compounds using a combination of catalytic Pd(OAc)2 and Cu(OAc)2. On the o...

Absorption and excited state intramolecular proton transfer (ESIPT) fluorescence of 2′-ethylhexyl salicylate (EHS) were examined in the presence of cationic, non-ionic, and anionic surfactants. It was found that linear EHS molecule was solubilized in micelles with its flexible and hydrophobic 2...