In order to efficiently remove phenolics from coal chemical wastewater, this study utilizes molecular simulation determine the most effective extractant. And extraction effect is verified through results. The energy of hydrogen bonding dominates extractant’s ability. interaction between phenols and solvent was examined using calculations, it discovered that strong H-bond CYC/1-PA synergistic ex...

In this work, an improved single-column chromatographic (ISCC) separation process is proposed. The term `improved' refers to both conceptual and physical modifications compared to the available single-column processes, including a novel fraction collection scheme and allowing overlapped peaks from adjacent cycles. Also the fraction collection mechanism was modified in order to facilitate online...

A rapid liquid chromatographic method was developed for the determination of oxatomide in its finished active pharmaceutical ingredient form and in the presence of its process impurities. The method was developed on a sub 2 µm Hypersil Zorbax XDB C18 column (30 × 4.6 mm, i.d., 1.8 µm). The rapid method employed a gradient mobile phase consisting of solvent A: 0.01 M tetrabutylammonium hydrogen ...

Dispersive liquid-liquid microextraction (DLLME) combined with gas chromatography-mass spectrometry (GC-MS) was used for the extraction and determination of 13 polycyclic aromatic hydrocarbons (PAHs) in mineral water samples. In this procedure, the suitable combination of extraction solvent (500 µL chloroform) and disperser solvent (1000 µL acetone) were quickly injected into the water sample (...

A highly selective and stability-indicating HPLC-method, combined with appropriate sample preparation steps, is developed for β-artemether assay and profiling of related impurities, including possible degradants, in a complex powder for oral suspension. Following HPLC conditions allowed the required selectivity: a Prevail organic acid (OA) column (250 mm×4.6 mm, 5 μm), flow rate set at 1.5 mL/m...

Psychiatric symptoms have been reported for individuals who experience chronic exposure to low levels of organic solvents. However, it is not known what proportion of such individuals experience psychiatric disorder; which specific disorders may be characteristic of this population; or whether bioaccumulation of lead contributes to the relationship between solvent exposure and psychiatric sympt...

A quantitative structure–property relationship (QSPR) study was performed for predicting the hydrophobicity of Pt(IV) complexes. Two four-parameter equations, one based solely on structural descriptors derived from electrostatic potentials (ESPs) molecular surface, and other integrated ESP with surface area (AS), were firstly constructed. Mechanistic interpretations introduced elucidated in ter...

The knowledge of the biological mechanisms leading to the induction of skin sensitisation has favoured in recent years the development of alternative non-animal methods. During the formal validation process, results from the Local Lymph Node Assay (LLNA) are generally used as reference data to assess the predictive capacity of the non-animal tests. This study reports an analysis of the variabil...

Vortex-assisted surfactant-enhanced emulsification microextraction based on solidification of floating organic drop (VASEME-SFO) was used for preconcentration and speciation of antimony (ΙΙΙ, V) followed by electrothermal atomic absorption spectrometry (ETAAS). In this procedure, Triton X-114 was used as emulsifier and 1-undecanol was used as extraction solvent. This method is based on the comp...

The prediction of residue solvent accessibility from protein sequences has been studied by various methods. The direct comparison of these methods is impossible due to the variety of datasets used and the difference in structure definition. In this paper we choose 5 classification approaches (decision tree (DT), Support Vector Machine (SVM), Bayesian Statistics (BS) , Neural Network (NN) and Mu...