In the title compound, C(16)H(13)ClN(2)S, the mean planes fitted through all non-H atoms of the heterocyclic five-membered and the benzene rings are oriented at a dihedral angle of 5.19 (7)°. In the crystal, a weak C-H⋯π inter-action occurs, along with weak π-π inter-actions [cenroid-centroid distance = 3.7698 (11) Å].
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Long-range corrected hybrid density functionals (LC-DFT), with range separation parameters optimally tuned to obey Koopmans' theorem, are used to calculate the first-order hyperpolarizabilities of prototypical charge-transfer compounds p-nitroaniline (PNA) and dimethylamino nitrostilbene (DANS) in the gas phase and various solvents. It is shown that LC-DFT methods with default range separation parameters tend to underestimate hyperpolarizabilities (most notably in solution) and that the tuning scheme can sharply improve results, especially in the cases when the standard LC-DFT errors are largest. Nonetheless, we also identify pathological cases (two pyrrole derivatives) for which LC-DFT underestimates the hyperpolarizabilities, regardless of tuning. It is noted that such pathological cases do not follow the usual inverse relation between the hyperpolarizability and amount of exact exchange, and thus this behavior may serve as a diagnostic tool for the adequacy of LC-DFT.
In this approach, binary tin oxide doped ytterbium oxide nanosheets (SnO2.YbO NSs) were synthesized in an alkaline phase using under low-temperature facile hydrothermal technique. Traditional methods such as UV–Visible spectroscopy, Fourier Transform Infra-Red Spectroscopy (FTIR), Powder X-ray diffraction (XRD), Field Emission Scanning Microscopy (FESEM) equipped with X-ray electron dispersive spectroscopy (XEDS), and X-ray photoelectron spectroscopy (XPS) were used to fully characterize the prepared SnO2.YbO NSs. Fabrication of a thin-coating with doped NSs onto GCE by using 5% nafion conducting binder resulted in development of a selective and enzyme-free penicillin-G sensor probe. A reliable I-V technique was used to perform electrochemical performances of good sensitivity, large LDR, and long-term stability of the desired Penicillin-G sensor (SnO2.YbO NSs/GCE/Nf). With a wide range of Penicillin-G concentration, the proposed calibration plot is noticed good linearity (R2 = 0.9830). Sensitivity and LOD of the sensor were calculated as 24.75 μAμM-1cm−2 and 30.0 pM, respectively based on S/N = 3 formula. Real samples (Human and rabbit serum, milk, and red-sea water) were analyzed with the fabricated SnO2.YbO NSs/GCE/Nf sensor probe and the findings results were acceptable and satisfactory. This approach could be a noble development of in-situ Penicillin-G sensor based on binary SnO2.YbO NSs/GCE/Nf by reliable I-V technique for important sensing applications including beneficial doped nanomaterials and nano-technological system.
The mechanistic investigation of oxidation of levofloxacin (LF) has been studied by chloramine-T(CAT) in aqueous perchloric acid medium at 25 °C. The reaction followed first-order kinetics with respect to [CAT], [LF], and [H+] in their lower concentrations range, tending to zero-order at their higher concentrations. First-order kinetics with respect to [CAT] was observed for the oxidation of levofloxacin. An increase in perchloric acid concentration increased the rate of reaction. The effect of added products, ionic strength, and dielectric constant of the medium was studied on the rate of reaction. The main products were identified by spot test, FT-IR, and NMR. A mechanism was proposed on the basis of experimental results. The activation parameters with respect to the slow step of the mechanism was evaluated, and the thermodynamic parameters were also determined and discussed.
In the title compound, C(15)H(18)N(2)O(4), the aromatic rings on the azomethine double bond are trans to each other [C-C=N-C torsion angle = -178.29 (12)°] and they are approximately coplanar, the dihedral angle between them being 5.0 (1)°.
Abstract The interaction between three PEGs (polyethylene glycol) and gemini surfactants in aqueous solution has been studied using conductometry. The surfactants studied were dicationic dibromide gemini surfactants with different methylene spacer length, 16-s-16, where s = 4 to 6 methylene groups. The critical aggregation concentration (CAC), and critical micelle concentration concentration (CMC) were derived from conductometric titration curves. The thermodynamic parameters were evaluated where ΔGmic, ΔGagg, and ΔGtrans are found to be negative, confirming the feasibility of interaction. Keywords: Critical aggregation concentrationcritical micelle concentrationgemini surfactantpolyethylene glycol
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
