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In this work, four fluorinated α, β‐unsaturated ketones named as 3‐(3‐bromophenyl)−1‐(3‐(trifluoromethyl)phenyl)prop‐2‐en‐1‐one (1), 3‐(4‐methoxyphenyl)−1‐(3‐(trifluoromethyl)phenyl) prop‐2‐en‐1‐one (2), 3‐(3‐bromo‐5‐chloro‐2‐hydroxyphenyl)‐1‐(3‐(trifluoromethyl)phenyl) prop‐2‐en‐1‐one (3) and 3‐(2‐hydroxy‐5‐methylphenyl)‐1‐(3‐(trifluoromethyl)phenyl)prop‐2‐en‐1‐one (4) were synthesized by Claisen–Schmidt reaction. The synthesized molecules were then characterized through ultraviolet‐visible spectroscopy (UV‐Vis), Fourier transform infrared (FTIR), 1H‐NMR, 13C‐NMR, and mass spectrometry. The antioxidant potential, Urease inhibition, and interaction of compounds 1–4 with Salmon sperm DNA were experimentally explored and supported by molecular docking studies. The synthesized compounds strongly interact with SS‐DNA through intercalative mode. It was noticed that compound 1 served as potent Urease inhibitor while compound 4 as better antioxidant among synthesized compounds. Moreover, frontier molecular orbitals, nonlinear optical (NLO) properties, natural bond orbitals, molecular electrostatic potential, natural population analysis, and photophysical properties of synthesized compounds were accomplished through density functional theory and time‐dependent density functional theory. The band gap of all the compounds have been worked out using Taucs method. In addition to that, a precise comparative account of UV and IR data obtained from theoretical and experimental findings showed good agreement between theoretical and experimental data. The findings of our studies reflected that compounds 1–4 possess better NLO properties than Urea standard and the band gap data also reflected their prospective use towards optoelectronic materials. The better NLO behavior of compounds was attributed to the noncentrosymmetric structure of synthesized compounds. [ABSTRACT FROM AUTHOR]

Functionalised multi‐walled carbon nanotubes (MWCNTs) are exclusively used in antibacterial activity due to their high aspect ratio and surface penetration characteristics. This study reports the synthesis of piperazine and dopamine functionalised MWCNTs to investigate antibacterial activity against strains like Staphylococcus aureus and Micrococcus luteus. MWCNTs were activated through acid oxidation and then refluxed at 75°C for 10 and 8 h in the presence of piperazine and dopamine, respectively. The functionalised MWCNTs were characterised by scanning electron microscopy, Fourier‐transform infrared spectroscopy, X‐ray diffraction and Raman spectroscopy. Moreover, functionalised MWCNTs were subjected to zone inhibition assay on agar plates. Results revealed the significant antibacterial activity against various bacteria up to 50%. Similarly, it was observed that the effect of different solvents, such as dimethyl formamide (DMF) and dimethyl sulfoxide (DMSO) was non‐prevalent to the bacterial zone of inhibition. Such facile nano‐modifications provide passage to nano‐antibacterials for advanced studies. [ABSTRACT FROM AUTHOR]

This manuscript reports the partitioning of benzothiophene (BNP), a bioactive organic compound, between the aqueous phase and micellar media of an anionic surfactant, sodium dodecyl sulphate (SDS) and a cationic surfactant, cetyl trimethyl ammonium bromide (CTAB). Simple and differential UV/visible spectroscopic studies of said systems have been conducted in premicellar and post-micellar concentration ranges. The experimental results reveal that in the premicellar region, the molecules of BNP get attached with monomeric surfactant molecules, while in the post-micellar region; they are accommodated within the micelle. The bathochromic shift is observed in the UV/visible spectra of BNP in the presence of both surfactants. The water/micelle partition coefficient ( K ) and binding constant ( K ) were calculated using differential absorption data and subsequently the values of free energy of partition (∆ G ) and free energy of binding (∆ G ) were calculated. The values of K show that the solubilization of BNP is more spontaneous and takes place to a greater extent in micellar media of SDS than in CTAB. [ABSTRACT FROM AUTHOR]

The mean total body water was determined by desiccation in DBA/2J, CBA/J, and C57BL/6J mice to be 60.6, 65.6, and 68.6 percent of body weight, respectively. The pharmacokinetics of ethanol was subsequently studied in mice of these strains given an intraperitoneal dose of 116 mmoles/l of total body water based on the desiccation study. This dose was equivalent to 70, 76, and 80 mmoles/kg in the DBA/2J, CBA/J, and C57BL/6J strains, respectively. The zero time concentrations were nearly identical between strains; therefore volume of distribution (VD) estimates based on mmole/kg doses reflected interstrain differences in total body water. The apparent zero order elimination rate was significantly greater in the DBA/2J strain versus the other two strains using this regimen. Interstrain differences in ethanol sleep time paralleled the differences in anesthetic sensitivity evidenced by blood concentrations at the time of regaining the righting reflex. The results demonstrate the importance of considering differences in total body water and hence ethanol VD when comparing the effects of ethanol in inbred mouse strains. [ABSTRACT FROM AUTHOR]

In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N-N=C torsion angle is 178.9 (3)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules and weak aromatic π-π stacking between the fluoro-benzene and bromo-benzene rings [centroid-centroid separation = 3.720 (2) Å and inter-planar angle = 2.6 (2)°] is also observed.

In the title compound, [Cu(C(12)H(18)N(2)O(2))]·0.25H(2)O, the coordination of the O,N,N',O'-tetra-dentate ligand results in a cis-CuN(2)O(2) square-planar geometry for the metal ion and the presence of two six-membered and one five-membered chelate rings. The complete complex mol-ecule is close to planar (r.m.s. deviation = 0.047 Å). The uncoordinated water mol-ecule (O-atom site symmetry 2) was modelled as half occupied. In the crystal, C-H⋯O(w) and O(w)-H⋯O (w = water) hydrogen bonds link the components into layers parallel to ab plane.