Excess Acoustical and Volumetric Properties and Theoretical Estimation of Ultrasonic Velocities in Binary Liquid Mixtures of 2-Chloroaniline with Acrylic Esters at 308.15 K

The ultrasonic velocities (u) and densities (??) for three binary mixture systems of 2-chloroaniline (CA) with ethyl acrylate (EA), butyl acrylate (BA), and 2-ethylhexyl acrylate (EHA) were measured over the entire mole fraction range at the temperature 308.15?K, including those of pure liquids. From these data, the deviations in ultrasonic velocity (??u), the excess molar volumes ( $V_{\mathrm{m}}^{\mathrm{E}}$ ), deviations in excess molar volume ( $\delta V_{\mathrm{m}}^{\mathrm{E}}$ ), deviations in isentropic compressibility (??k _S), excess intermolecular free lengths ( $L_{\mathrm{f}}^{\mathrm{E}}$ ), and excess acoustic impedances (Z ^E) have been calculated. The variations of these properties with solution composition are discussed in terms of molecular interactions among unlike molecules of the mixtures. The excess and deviation functions have been fitted to Redlich-Kister type polynomials and the corresponding standard deviations ??(Y ^E) have been calculated. The deviations and excess values were plotted against the mole fraction of CA over the whole composition range. The $V_{\mathrm{m}}^{\mathrm{E}}$ and ??k _S values are negative in the EA + CA and BA + CA systems but are positive in the EHA + CA system, which indicates the presence of specific interactions between unlike molecules. Further, theoretical values of the sound velocity in these mixtures have been evaluated using various theories and have been compared with experimental sound velocities to verify the applicability of such theories to the investigated systems. Two types of polynomial equations, f(x) and g(x), have been fitted to experimental values of ultrasonic velocities. The sound velocities obtained by these polynomials have extremely small deviations from the experimental values.     

Di‐2‐pyridyl ketone N4,N4‐(butane‐1,4‐diyl)thiosemicarbazone

The title compound, C₁₆H₁₇N₅S, is in the thione form and crystallizes with two independent mol­ecules in the asymmetric unit. In both mol­ecules, the penta­methyl­ene­imine five‐membered ring adopts an envelope conformation, and in one of the molecules this ring shows positional disorder. The thione S and hydrazine N atoms are in the Z configuration with respect to the C—N bond.     

A novel three-component reaction for the diastereoselective synthesis of 2H-pyrimido[2,1-a]isoquinolines via 1,4-dipolar cycloaddition

[reaction: see text] The 1,4-dipole derived from isoquinoline and DMAD has been shown to react readily with N-tosylimines resulting in the diastereoselective synthesis of 2H-pyrimido[2,1-a]isoquinoline derivatives.     

A one-pot azido reductive tandem mono-N-alkylation employing dialkylboron triflates: online ESI-MS mechanistic investigation

An efficient one-pot reductive tandem mono-N-alkylation of both aromatic and aliphatic azides using dialkylboron triflates as alkylating agents has been examined under standardized reaction conditions. This methodology after optimization has been employed toward the syntheses of various secondary alkyl as well as aryl amines, including the synthesis of N10-butylated pyrrolo[2,1-c][1,4]benzodiazepine-5,11-diones via in situ azido reductive-cyclization process. This protocol is particularly attractive to provide an environmentally benign and practical method for mono-N-alkylation from organic azides without the use of toxic catalysts or corrosive alkylating agents. In addition, the mechanistic aspects have been investigated and the intermediates associated with this selective transformation have been intercepted and characterized by online monitoring of the reaction by ESI-MS/MS.     

Synthesis,Characterization, Molecular Docking,and Antimicrobial Activity of New Arylidene-Substituted Imidazoles

Russian Journal of General Chemistry - The title compounds are synthesized by condensation of 2-[4-(arylidene)-5-oxo-4, 5-dihydrooxazol-2-yl]phenylacetate with aromatic amines in presence of the...     

Uptake,Translocation, and Bioaccumulation of Elements in Forest Nettle (Laportea alatipes)

Elements found in the edible parts of plants are considered to be the main source of nutrients for humans and animals. However, there is insufficient information on the relationship between heavy metal pollution in the growing soil of most edible plants. In this study, the distribution of elements in the edible forest nettle (Laportea alatipes) was evaluated as a function of geographical location. Forest land soils had higher concentrations of minor elements (Cu, Cr, Ni, and Zn) compared to soils from rural and suburban areas. Translocation factors for Cd and Pb showed effective translocation from the roots to the leaves; however, these heavy metals in leaves were still above South African maximum permissible levels for vegetables. Atmospheric depositions may play a significant role in higher Cd and Pb concentrations in the leaves. Bioaccumulation factors showed the plant to accumulate Cu, Mn, and Zn to meet physiological requirement levels. Geoaccumulation indices and enrichment factors showed no soil contamination or minimal enrichment by trace metals. Principal component analysis showed Co, Cr, Cu, Fe, Ni, Pb, and Zn in soil to originate from a common source which may be soil silicates and other minerals.     

Green synthesis,antibacterial, antiviral and molecular docking studies of α-aminophosphonates

Abstract

An efficient method for the synthesis of α-aminophosphonate derivatives has been developed with different functional groups under catalyst and solvent free conditions at room temperature in both conventional and ultrasonication methods. Ultrasonication method offers excellent yields within shorter reaction times. All the title compounds 4a–l were tested for their antibacterial, antiviral activity using Gram-positive bacteria (Staphylococcus aureus, and Bacillus subtilis), Gram-negative bacteria (Klebsiella pneumoniae and Escherichia coli) and NDV infected embryonated eggs (in ovo) and NDV infected BHK-21 cell lines (in vitro) respectively. Besides, molecular docking studies were also carried out to the title compounds against Hemagglutinin-neuramidase enzyme to determine the therapeutic binding efficacy of the ligands synthesized. The results indicated that, among the title compounds, compounds such as 4f, 4l, 4k, 4b, 4i and 4h have shown high content of antibacterial and antiviral activity than the rest of the compounds and the level activity was high when compared to the standard, ribavirin. Based on the results, it is concluded that, the reported α-aminophosphonates will open new vistas and stands as a new generation of antiviral and antibacterial drug candidates in future.     

Quantitative estimation of riluzole in human plasma by LC-ESI-MS/MS and its application to a bioequivalence study

A novel simple, sensitive, selective, and rapid high-performance liquid chromatography coupled with tandem mass spectrometry method was developed and validated for quantification of riluzole in human plasma. The chromatography was performed by using a Zorbax-SB-C18 (4.6 × 75 mm, 3.5 μm) column , isocratic mobile phase 0.1% formic acid/acetonitrile (10:90 v/v), and an isotope-labeled internal standard (IS), [¹³C,¹⁵N₂]riluzole. The extraction of drug and internal standard was performed by liquid–liquid extraction and analyzed by MS in the multiple reaction monitoring (MRM) mode using the respective [M+H]⁺ ions, m/z 235.0/165.9 for riluzole and m/z 238.1/169.0 for the IS. The calibration curve was linear over the concentration range 0.5–500.0 ng/ml for riluzole in human plasma. The limit of quantification (LOQ) was demonstrated at 0.5 ng/ml. The within-batch and between-batch precision were 0.6–2.3% and 1.4–5.7%, and accuracy was 97.1–101.1% and 98.8–101.2% for riluzole respectively. Drug and IS were eluted within 3.0 min. The validated method was successfully applied in a bioequivalence study of riluzole in human plasma.     

A dried blood spot assay with HPLC–MS/MS for the determination of larotrectinib in mouse blood and its application to a pharmacokinetic study

Larotrectinib is a first-generation tropomyosin kinase inhibitor, approved for the treatment of solid tumors. In this paper, we present a validated dried blood spot (DBS) method for the quantitation of larotrectinib from mouse blood using HPLC–MS/MS, which was operated under multiple reaction monitoring mode. To the DBS disc cards, acidified methanol enriched with internal standard (IS; enasidenib) was added and extracted using tert-butyl methyl ether as an extraction solvent with sonication. Chromatographic separation of larotrectinib and the IS was achieved on an Atlantis dC₁₈ column using 10 mm ammonium formate–acetonitrile (30:70, v/v) delivered at a flow-rate of 0.80 ml/min. Under these optimized conditions, the retention times of larotrectinib and the IS were ~0.93 and 1.37 min, respectively. The total run time was 2.50 min. Larotrectinib and the IS were analyzed using positive ion scan mode and parent–daughter mass to charge ion (m/z) transitions of 429.1 → 342.1 and 474.1 → 267.1, respectively, were used for the quantitation. The calibration range was 1.06–5,080 ng/ml. No matrix effect or carryover was observed. Hematocrit did not influence DBS larotrectinib concentrations. All of the validation parameters met the acceptance criteria. The applicability of the validated method was shown in a mouse pharmacokinetic study.