Effect of carbon chain length of monocarboxylic acids on cloud point temperature of poly(2-ethyl-2-oxazoline)

The temperature-induced phase transition of poly(2-ethyl-2-oxazoline) (PEtOx) aqueous solution under mixing with a series of small carboxylic acids has been studied by turbidity measurements and laser light scattering. It has been found that cloud point temperature (T _cp) of the PEtOx was changed to varying degrees depending upon the pH, ionic strength, molar ratio of acids to 2-ethyl-2-oxazoline unit, and carbon chain length of small carboxylic acids. Significant change in T _cp was observed in the case of hexanoic acid. At acidic pH, an increase in the molar ratio of hexanoic acid to the 2-ethyl-2-oxazoline unit gradually decreased the phase transition temperature of the polymer as compared to the T _cp of pure PEtOx. At original pH 6 (pH?>?pK _a), T _cp shifts to higher value than that of pure PEtOx for lower molar ratios and decreased later on with increasing the molar ratio. The shift in the T _cp is described based on the differences in the driving force of phase transition, including hydrogen bonding between small carboxylic acids and PEtOx polymer and hydrophobic interaction.     

Biomonitoring of infant exposure to phenolic endocrine disruptors using urine expressed from disposable gel diapers

Infant exposure to endocrine disruptors (EDs) may cause adverse health effects because of their fast growth and development during this life stage. However, collecting urine from infants for exposure assessment using biological monitoring is not an easy task. For this purpose, we evaluated the feasibility of using urine expressed from disposable gel absorbent diapers (GADs) as a matrix for biomonitoring selected phenolic EDs. GADs urine was expressed with the assistance of CaCl₂ and was collected using a device fabricated in our laboratory. The analytes were extracted and concentrated using a liquid-liquid method and their hydroxyl groups were modified by dansyl chloride to enhance their chromatography and detection. Finally, the analytes were measured by high-performance liquid chromatography (HPLC) coupled with electrospray ionization (ESI) tandem mass spectrometry (MS/MS). The target chemicals were bisphenol A, triclosan, 17 α-ethynylestradiol, the natural hormone estrone, and 17 β-estradiol. The ratio of the CaCl₂ to the urine-wetted gel absorbent, variation of the inter-urination volume, and analyte deposition bias in the diaper were assessed. Analyte blank values in the diapers, the sample storage stabilities, and recoveries of the analytes were also evaluated. The results showed that 70–80 % of the urine could be expressed from the diaper with the assistance of CaCl₂ and 70.5–124 % of the spiked analytes can be recovered in the expressed urine. The limits of detections (LODs) were 0.02–0.27 ng/mL, well within the range for detection in human populations. Our pilot data suggest that infants are widely exposed to the selected EDs.     

Synthesis and structural characterization of some titanium butoxides modified with chloroacetic acids

Reactions of Ti(OBu^s)₄ and Ti(OBuⁿ)₄ with chloroacetic acids (mono-, di-, and tri-) were carried out in toluene in 1:1 and 1:2 molar ratios at room temperature to generate new precursors of titania. These modified alkoxides/oxo-alkoxides were characterized by spectroscopic methods. A solution of Ti(OBuⁿ)₂(OOCCCl₃)₂ in toluene left for crystallization at ?30 °C yielded single crystals of the product Ti₆(μ₂-O)₂(μ₃-O)₂(μ₂-OC₄H₉)₂(OC₄H₉)₆(OOCCCl₃)₈. Single-crystal X-ray diffraction revealed the molecular structure to be composed of a hexanuclear unit in which two Ti₂O₁₀ units (made by two edge-sharing octahedra) are linked with two corner-sharing octahedra.     

Highly Selective and Sensitive Benzimidazole Based Bifunctional Sensor for Targeting Inedible Azo Dyes in Red Chilli,Red Food Color,Turmeric Powder,and Cu(Ii) in Coconut Water

In this study, a simple Benzimidazole based bifunctional chemosensor 4-(2-(3,4-dimethoxyphenyl)-1H-benzo[d]imidazol-6-yl) benzene-1,2-diamine, L was synthesized and characterized. The sensor proved to be selective and sensitive towards detecting banned azo dyes Sudan Dye I, II, and Metanil Yellow via fluorescence turn-off response. The proposed mechanism of fluorescence quenching was the inner filter effect. LODs for Sudan I, II, and Metanil Yellow were found to be 0.009 µM, 0.012 µM, and 0.0073 µM, respectively. The developed chemosensor also showed a colorimetric response towards Cu (II) ions via an apparent color change from yellow to pink. LOD for Cu (II) ions was found to be 1.2 µM. The synthesized benzimidazole based bifunctional chemosensor was adequately tested to determine Sudan I in Red chili powder and red Food color samples, Metanil yellow in turmeric powder, and Cu(II) packaged coconut water.

     

Structure-based design,synthesis and biological evaluation of β-glucuronidase inhibitors

Using structure-based virtual screening approach, a coumarin derivative (1) was identified as β-glucuronidase inhibitor. A focused library of coumarin derivatives was synthesized by eco-benign version of chemical reaction, and all synthetic compounds were characterized by using spectroscopy. These compounds were found to be inhibitor of β-glucuronidase with IC₅₀ values in a micromolar range. All synthetic compounds exhibited interesting inhibitory activity against β-glucuronidase, however, their potency varied substantially from IC₅₀ = 9.9–352.6 µM. Of twenty-one compounds, four exhibited a better inhibitory profile than the initial hit 1. Interestingly, compounds 1e, 1k, 1n and 1p exhibited more potency than the standard inhibitor with IC₅₀ values 34.2, 21.4, 11.7, and 9.9 µM, respectively. We further studied their dose responses and also checked our results by using detergent Triton ×-100. We found that our results are true and not affected by detergent.     

Ixoroid: a new triterpenoid from the flowers of Ixora coccinea

A new natural terpenoid, ixoroid (1), was isolated from the flower of Ixora coccinea, along with the known constituents stigmast-5-en-3-O-beta-D-glucoside (2), 5-O-caffeoylquinic acid (3) and D-mannitol (4). The structure of ixoroid was elucidated on the basis of extensive 1D- and 2D-NMR studies and mass spectrometry as 21,23-epoxy-tirucall-7-en-3beta-ol (1).     

Thermodynamics of magnetohydrodynamic Brinkman fluid in porous medium

This research article investigates that how heat flow changes versus temperature or time on the rheology of magnetohydrodynamic Brinkman fluid embedded in porous medium for the oscillations of heated plate. A fractional approach namely Caputo–Fabrizio fractional operator is applied for developing the governing partial differential equations of Brinkman fluid flow. The fractional governing partial differential equations have been modeled for temperature distribution, mass concentration and velocity field along with imposed initial and boundary conditions. The solutions are obtained by integral transforms and presented in special and elementary functions. In the limiting sense, the analytical solutions are particularized in the presence and absence of heat and mass transfer, magnetic field and porous medium. The parametric graphs have been depicted for the influence of different embedded rheological parameters on fluid flow. The results show few interesting differences and similarities by comparative analysis for fractional and ordinary Brinkman fluid flow, such as physically higher Prandtl (Pr) number that leads to decay thermal diffusivity which results in the reduction in thermal field; this means that better quality of production can be achieved through proper choice of Prandtl (Pr) and Schmidt (Sc) numbers.

     

Effects of mass transfer on MHD second grade fluid towards stretching cylinder: A novel perspective of Cattaneo–Christov heat flux model

The aim of this research is to analyze the effects of mass transfer on second grade fluid flow subjected to the heat transfer incorporated with the relaxation time to reach the state of equilibrium on or after the state of upheaval. A new heat model namely Cattaneo–Christov heat flux comprising the relaxation time is employed instead of very commonly used mundane model based on classical theory of heat flux. Flow is considered towards stretching cylinder in the existence of external magnetic field. Suitable transformations are first used to deduce the momentum, heat and concentration equations and are then solved analytically. The effects of physical quantities such as fluid parameter, magnetic field, Schmidt number, relaxation time, curvature parameter, Prandtl number and chemical reaction on momentum, temperature and concentration profile are examined graphically whereas for validation of results convergence analysis along with residual error are obtained numerically. A comparison of obtained results is also given with the existing literature as a limiting case of reported problem and are found an excellent agreement. The temperature profile indicates thinning effect for higher values of Prandtl number and relaxation time. It is also noted that the velocity increases with increasing values of fluid parameter whereas it declines for the case of magnetic field. This study can be used an application of central heating system and to measure the fast chemical reactions rates.     

Computational and biological studies of novel thiazolyl coumarin derivatives synthesized through Suzuki coupling

The current investigation presents the synthesis, computational molecular-docking and biological activity studies of arylated thiazole coumarins. Aryl substituted thiazolyl coumarin derivatives were synthesized via Suzuki cross-coupling reaction. A detailed reaction condition optimization revealed that the Pd-PEPPSI-IPent precatalyst in only 2 mol% loading resulted in the desired product with high yield. The aim of this study was to examine the antimicrobial behavior of thiazole coumarin derivatives through in vitro and in silico studies. All the compounds showed activity against both antibacterial strains, Staphylococcus aureus and Escherichia coli, except 5d . Similarly, the compounds 5a , 5b , and 5d were found to be active against Trichoderma harzianum. The compound 5d of this series was found to have a higher activity with MIC 125 mg/ml against Trichoderma harzianum. Molecular studies showed the high activities of these compounds are due to the presence of strong H-bonding and π-π interaction with their respective targets. A good correlation was observed between computational and in vitro studies.     

Synthesis, spectroscopic studies and crystal structure of the Schiff base ligand L derived from condensation of 2-thiophenecarboxaldehyde and 3,3'-diaminobenzidine and its complexes with Co(II), Ni(II), Cu(II), Cd(II) and Hg(II): Comparative DNA binding studies of L and its Co(II), Ni(II) and Cu(II) complexes

The Schiff base ligand, N,N'-bis-(2-thiophenecarboxaldimine)-3,3'-diaminobenzidine (L) obtained from condensation of 2-thiophenecarboxaldehyde and 3,3'-diaminobenzidine, was used to synthesize the complexes of type, [M2L2]Cl4 [M=Co(II), Ni(II), Cu(II), Cd(II) and Hg(II)]. The newly synthesized ligand (L) was characterized on the basis of the results of elemental analysis, FT-IR, 1H NMR, 13C NMR, mass spectroscopic studies and single crystal X-ray crystallography. The characteristic resonance signals in 1H NMR and 13C NMR spectra indicated the presence of azomethine group as a result of condensation reaction. The stoichiometry, bonding and stereochemistries of complexes were ascertained on the basis of results of elemental analysis, magnetic susceptibility measurements, molar conductance and spectroscopic studies viz., FT-IR, 1H and 13C NMR, UV-vis and EPR. EPR, UV-vis and magnetic moment data revealed an octahedral geometry for complexes with distortion in Cu(II) complex and conductivity data show 1:2 electrolytic nature of complexes. Absoption and fluorescence spectroscopic studies supported that Schiff base ligand L and its Co(II), Ni(II) and Cu(II) complexes exhibited significant binding to calf thymus DNA. The complexes exhibited higher affinity to calf thymus DNA than the free Schiff base ligand L.