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Graphical abstract Highlights • A new series of Xanthenone based hydrazones (5a–n) was synthesized. • New hydrazones were screened for their i n vitro α -glucosidase inhibitory activity. • Structure activity relationship established. • In silico , molecular docking was carried out to study putative binding of potent hydrazones with target enzyme. • Solid state self-assembly studies to explore the role of iminoamide dimer synthon in crystal packing. Abstract Xanthenone based hydrazone derivatives (5a–n) have been synthesized as potential α-glucosidase inhibitors. All synthesized compounds (5a–n) are characterized by their FTIR, 1H NMR, 13C NMR and HRMS, and in case of 5g also by X-ray crystallographic technique. The compounds unveiled a varying degree of α-glucosidase inhibitory activity when compared with standard acarbose (IC 50 = 375.38 ± 0.12 µM). Amongst the series, compound 5l (IC 50 = 62.25 ± 0.11 µM) bearing a trifluoromethyl phenyl group is found to be the most active compound. Molecular modelling is performed to establish the binding pattern of the more active compound 5l, which revealed the significance of substitution pattern. The pharmacological properties of molecules are also calculated by MedChem Designer which determines the ADME (absorption, distribution, metabolism, excretion) properties of molecules. The solid state self-assembly of compound 5g is discussed to show the conformation and role of iminoamide moiety in the molecular packing. [ABSTRACT FROM AUTHOR]

Abstract Purpose To evaluate if the common field lampricide 3-trifluoromethyl-4-nitrophenol (TFM) that is intended to eradicate the invasive species sea lampreys in the Great Lakes has the potential to sensitize radiation responses in cells from non-targeted native fish Materials and methods The TFM toxicity was assessed acutely and chronically with the clonogenic fish cell line eelB. The acute toxicity (24-h exposure) was determined by the fluorescent cell viability probe Alamar Blue. The chronic toxicity was determined either by Alamar Blue (7-d exposure) or the clonogenic survival assay (14-d exposure). Pre- and post-exposure of fish cells to environmentally relevant TFM concentrations following gamma irradiation were performed. Clonogenic survival was determined to assess the damage level of radiation-induced reproductive cell death. Results The chronic toxicity tests were more sensitive than the acute toxicity tests. The 14-d EC 50 using the clonogenic survival endpoint was 2.09 ± 0.28 μg/mL and was statistically similar to the 7-d EC 50 (1.85 ± 0.07 μg/mL) based on the Alamar Blue-based cytotoxicity endpoint. Post-exposure of cells to environmentally relevant TFM concentrations following irradiation did not have any effect as compared to the irradiation alone group. In contrast, pre-exposure of cells to TFM following irradiation had a negative additive effect when the total radiation dose was 2 Gy, but not 0.1 or 0.5 Gy. Conclusion Our results suggest that the common field lampricide TFM is a potential radiation sensitizer in cells from non-targeted native fish. This could be a health problem of concern for non-targeted native fish if a large accidental radioactive release occurs. Highlights • Effects of the lampricide TFM on the fish cells' reproductive death were studied. • Chronic TFM toxicity tests were more sensitive than acute toxicity tests. • Post-exposure of fish cells to TFM has no additive effect on the radiation responses. • Pre-exposure of fish cells to TFM sensitizes the radiation responses. [ABSTRACT FROM AUTHOR]

The rotational spectrum of 1-phenyl-2,2,2-trifluoroethanol, a chiral organic alcohol, was investigated using two chirped pulse Fourier transform microwave spectrometers. The molecule is a derivate of 2,2,2-trifluoroethanol, and the phenyl substitution plays a major role in altering the conformational landscape. Three equilibrium minima were identified at the MP2 and B3LYP-D3BJ levels of theory, of which only two exist as stable conformers after applying harmonic zero-point-energy correction. Rotational spectra of the most stable conformer and its eight 13 C isotopologues were assigned and the rotational constants obtained were used to refine the ab initio structure. The second conformer was not observed experimentally, and subsequent analysis indicates that the conformational conversion barrier was too low to trap this second conformer, even in a helium jet expansion. [ABSTRACT FROM AUTHOR]

In the present study we have synthesized a new class of 4-aminoquinolines and evaluated against Plasmodium falciparum in vitro (3D7-sensitive strain & K1-resistant strain) and Plasmodium yoelii in vivo (N-67 strain). Among the series, eleven compounds ( 5, 6, 7, 8, 9, 11, 12, 13, 14, 15 and 21 ) showed superior antimalarial activity against K1 strain as compared to CQ. In addition, all these analogues showed 100% suppression of parasitemia on day 4 in the in vivo mouse model against N-67 strain when administered orally. Further, biophysical studies suggest that this series of compounds act on heme polymerization target. [ABSTRACT FROM AUTHOR]

In this work we studied the applicability of four imidazolium-based ionic liquids (ILs) with different allyl-, or benzyl-substituents and bis(trifluoromethylsulfonyl)imide, or dicyanamide anions in the separation of hex-1-ene/hexane and cyclohexene/cyclohexane compounds. Experimental values for liquid–liquid equilibrium (LLE) were obtained for various binary and ternary mixtures of {IL (1) + hex-1-ene (2) + hexane (3)} or {IL (1) + cyclohexene (2) + cyclohexane (3)} at T = 298.15 K and p = 0.1 MPa. The ILs studied were as follows: 1-allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [AMIM][NTf 2 ], 1-allyl-3-methylimidazolium dicyanamide, [AMIM][DCA], 1-benzyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [BzMIM][NTf 2 ], 1-benzyl-3-methylimidazolium dicyanamide, [BzMIM][DCA]. These ILs were chosen after the analysis of the selectivities calculated from the limiting activity coefficients data. The results are useful for the design an industrial process of extraction. The dicyanamide-based ILs showed excellent results in terms of selectivity, but bis(trifluoromethylsulfonyl)imide-based ILs revealed twice better solute distribution ratio. The chromatography analysis revealed that the ILs used as an entrainers were not present in the hydrocarbon-rich layer, which is convenient for production process, because eliminates the step needed for the separation of the solvent. The [AMIM][DCA] showed suitable extractive properties to replace nowadays methods of separation for hex-1-ene/hexane and cyclohexene/cyclohexane compounds. All experimental data were correlated with the NRTL model. The experimental tie-lines were calculated in good agreement with each other. [ABSTRACT FROM AUTHOR]

In this manuscript, densities, ρ , speeds of sound, u , and viscosities, η for binary mixtures of 1-butyl-3-methylimidazoliumbis(trifluoromethylsulfonyl)imide([C 4 mim][NTf 2 ]) with molecular organic solvents (MOS) namely butyl acetate (BAC), butan-1-amine (BAM) and butanal (BAL) were measured at entire range of compositions. The measurements were collected at atmospheric pressure and temperature ranges from (298.15 to 323.15) K. The excess molar volumes, V m E , excess molar isentropic compressibilities, K S , m E , and logarithm of viscosity, ln η m were derived from measured values of densities, ρ , speeds of sound, u , and viscosity, η , respectively. The V m E , K S , m E and ln η m were correlated using Redlich–Kister polynomial equation. The non-ideal behaviour of these binary mixtures was discussed in light of temperature, nature of molecular organic solvent, structural effect and extent of molecular interactions exist in the binary mixtures. The V m E and K S , m E were negative and decrease with increasing temperature. The experimental V m E were reviewed by Prigogine–Flory–Patterson (PFP) theory. [ABSTRACT FROM AUTHOR]

Ionic liquids are neoteric, environmentally friendly solvents (as they do not produce emissions) composed of large organic cations and relatively small inorganic anions. They have favorable physical properties, such as negligible volatility and a wide range of liquid existence. (Liquid + liquid) equilibrium (LLE) data for systems including ionic liquids, although essential for the design, optimization and operation of separation processes, remain scarce. However, some recent studies have presented ternary LLE data involving several ionic liquids and organic compounds such as alkanes, alkenes, alkanols, ethers and aromatics, as well as water. In this work, the ASOG model for the activity coefficient is used to predict LLE data for 25 binary and 07 ternary systems at 101.3 kPa and several temperatures; all the systems are formed by ionic liquids including the bis[(trifluoromethyl)sulfonyl]imide (NTf 2 ) anion plus alkanes, alkenes, cycloalkanes, alkanols, water, thiophene and aromatics. New group interaction parameters were determined using a modified Simplex method, minimizing a composition-based objective function of experimental data obtained from the literature. The results are satisfactory, with rms deviations of approximately 3%. [ABSTRACT FROM AUTHOR]

Highlights: [•] Physicochemical characteristics of two 1-alkyl-1-methylpyrrolidinium ILs. [•] Similarities and differences between pyrrolidinium and imidazolium imides. [•] Volume and surface properties of [BMPyr][NTf2]+methanol or+acetonitrile. [•] Some properties of mixtures with [BMPyr][NTf2] and [BMIM][NTf2] are very close. [ABSTRACT FROM AUTHOR]

Abstract: Structural modifications of unsaturated sodium carboxylate surfactants in terms of trifluoromethylation associated with the hydrocarbon chain length have been studied, the synthesis is described, and aggregation properties have been examined by conductimetry and vapor pressure osmometry between 30°C and 45°C. No strong effect of adding a CF3 group was observed on the Critical Micellar Concentrations. However, the thermodynamic study shows the specific effect exerted by the CF3 group through the enhancement of the entropic contribution. [Copyright &y& Elsevier]

Abstract: We synthesized 12 derivatives of 2,3-bis(bromomethyl)quinoxaline with substituents at the 6- and/or 7-positions, and evaluated their activities against bacteria and fungi. Of the 12 compounds, nine (1a-h, 1j, and 1k) showed antibacterial activity. The derivative 1g, which bears a trifluoromethyl group at the 6-position, showed the highest activity against Gram-positive bacteria, while 1c, which has a fluoro-group at the 6-position, showed the widest antifungal activity spectrum. However, only the derivative with an ethyl ester substitution, 1k showed activity against Gram-negative bacteria. [Copyright &y& Elsevier]

Highlights: [•] Fourier transform microwave spectrum of trifluoroanisole. [•] Spectra of all mono-substituted 13C or 18O isotopologues measured. [•] Perpendicular shape of the CF3 group and structure. [Copyright &y& Elsevier]