Conductometric and fluorometric studies of sodium dodecyl sulphate in aqueous solution and in the presence of amino acids

The critical micelle concentration (CMC) of sodium dodecyl sulphate (SDS) in pure water and in the presence of amino acids (0.01, 0.02 and 0.03 mol kg^?1), L-valine (Val) and L-leucine (Leu) was determined from conductometric and fluorometric methods using pyrene as luminescence probe. Depression in the CMC at low concentration of amino acids is attributed to the increased hydrophobic–hydrophobic interaction between the non-polar groups of the surfactant, while, at high concentration, amino acids bind strongly with the anion, DS^?, head groups of SDS, thereby, delaying the micelle formation, resulting in increased CMC. A pronounced decrease in the CMC, while a marked increase in λ⁰₊, with decrease in the solvated radius (rather than crystal radius) of the counterions is observed. Negative values of ΔG⁰_m and ΔH⁰_m indicate that micellisation of SDS in the presence of amino acids is thermodynamically spontaneous and exothermic. Highest negative value of ΔH⁰_m in 0.01 m Val, with lowest CMC value, shows that 0.01 m aqueous Val is the most suitable medium favouring the micellisation of SDS. Decrease in I₁/I₃ from Val to Leu confirms the relative hydrophobicity of two amino acids. The observed values of the packing parameter, P, of SDS in water and in aqueous amino acids suggest that micelles formed are spherical in nature.     

A Note on the Roman Bondage Number of Planar Graphs

A Roman dominating function on a graph G = (V(G), E(G)) is a labelling ${f : V(G)\rightarrow \{0,1,2\}}$ satisfying the condition that every vertex with label 0 has at least a neighbour with label 2. The Roman domination number γ _R (G) of G is the minimum of ${\sum_{v \in V(G)}{f(v)}}$ over all such functions. The Roman bondage number b _R (G) of G is the minimum cardinality of all sets ${E\subseteq E(G)}$ for which γ _R (G \ E) > γ _R (G). Recently, it was proved that for every planar graph P, b _R (P) ≤ Δ(P) + 6, where Δ(P) is the maximum degree of P. We show that the Roman bondage number of every planar graph does not exceed 15 and construct infinitely many planar graphs with Roman bondage number equal to 7.     

Numerical solution of nonlinear partial quadratic integro‐differential equations of fractional order via hybrid of block‐pulse and parabolic functions

In this paper, an effective numerical approach based on a new two‐dimensional hybrid of parabolic and block‐pulse functions (2D‐PBPFs) is presented for solving nonlinear partial quadratic integro‐differential equations of fractional order. Our approach is based on 2D‐PBPFs operational matrix method together with the fractional integral operator, described in the Riemann–Liouville sense. The main characteristic behind this approach is to reduce such problems to those of solving systems of algebraic equations, which greatly simplifies the problem. By using Newton's iterative method, this system is solved, and the solution of fractional nonlinear partial quadratic integro‐differential equations is achieved. Convergence analysis and an error estimate associated with the proposed method is obtained, and it is proved that the numerical convergence order of the suggested numerical method is O(h³) . The validity and applicability of the method are demonstrated by solving three numerical examples. Numerical examples are presented in the form of tables and graphs to make comparisons with the exact solutions much easier.     

Biologically active 2-thione-4,6-diamino-5-hydroxypyrimidine transition metal complexes

New complexes of 2-thione-4,6-diamino-5-hydroxypyrimidine (HTDAHP) with Fe(III), Ni(II), Ag(I) and Ru (II) are described. IR, ¹H-NMR and mass spectra, conductivity, magnetic and thermal measurements of the complexes are reported and their structures discussed. HTDAHP behaves as a bidentate ligand, forming five membered hydroxyl-amino chelates or four-membered cyclic nitrogen-sulphur chelates without any participation of the pendant amino or hydroxy groups in complexation. The biological activities of the Ag(I) complexes against fungi (Aspergillus niger and Candida albicans) and bacteria (Staphylococcus aureus and Pseudomonas aeruginosa) have been investigated.     

Enhanced spectroscopic properties and Judd–Ofelt parameters of Er-doped tellurite glass: Effect of gold nanoparticles

Glasses with composition 70TeO₂–20ZnO–10Na₂O–0.5Er₂O₃–(x)Au are synthesized by melt-quenching technique. Their spectroscopic and optical characterizations are made. The presence of gold nanoparticles (Au NPs) with average size ～9 nm is confirmed from TEM micrograph. The value of E_dir is found to lie between 3.082 and 3.073 eV, while E_indir lies within 2.765 to 2.724 eV. The observed visible up-conversion (UC) emission under 779 nm excitation wavelength exhibits two bands centered at 546 nm (green) and 637 nm (red) in all samples. The glass with 0.4 mol% Au NPs shows dominant enhancement in the UC emission intensity of the order of 3.5 times for the green band (⁴S_3/2 → ⁴I_15/2) and a weaker enhancement for the red (⁴F_9/2 → ⁴I_15/2) band. The optical properties of the system are affirmed to depend strongly on the Au concentration in the dielectric medium. The absorption spectra consist of six bands attributed to absorption from ground state (⁴I_15/2) to ⁴I_13/2, ⁴I_11/2, ⁴I_9/2, ⁴F_9/2, ²H_11/2, and ⁴F_7/2 excited states. The structural reveals that the types of bonding and difference in electro-negativity can be manipulated by the presence of metallic NPs in glass matrix. Judd–Ofelt analysis asserts the increase in Ω₂ and Ω₆ parameters with the addition of Au NPs and the enhancement of green and red emissions. The enhancement is mainly attributed to large plasmonic effect of Au NPs. The proposed glasses can be nominated as potential materials for solid state laser developments.     

Prediction of different antibacterial activity in a new set of formyl hydroxyamino derivatives with potent action on peptide deformylase using structural information

Due to the essential role of peptide deformylase (PDF) at the bacterial growth cycle, it is a noteworthy target for developing a novel antibacterial agent. In the current study, the antibacterial activities of a set of 44 new structures of formyl hydroxyamino derivatives as PDF inhibitors were quantified using quantitative structure–activity relationship (QSAR). Artificial neural networks (ANN) were used as a chemometrics tool for QSAR modeling. Three quantitative models were suggested to relate the chemical structural features of the formyl hydroxyamino derivatives to their antibacterial activities (pIC₅₀) against Staphylococcus aureus, methicillin-susceptible S. aureus (MSSA), and methicillin-resistant S. aureus (MRSA) peptide deformylase. The sufficiency of the model for prediction of the antibacterial activities of the desired PDF inhibitor compounds against S. aureus, MSSA, and MRSA was statistically demonstrated according to the validation parameters such as coefficient of determination (R²), mean square error (MSE) in training, validation, and prediction sets, and also using applicability domain (AD) and randomization test.

     

First principle study of the electronic and magnetic properties of a single iron atomic chain encapsulated in boron nitrite nanotubes

The electronic and magnetic properties for a single Fe atom chain wrapped in armchair (n,n) boron nitride nanotubes (BNNTs) (4≤n≤6) are investigated through the density functional theory. By increasing the nanotube diameter, the magnetic moments, total magnetic moments and spin polarization of systems are increased. We have calculated the majority and minority density of states (DOS) of armchair BNNT. Our results show that the magnetic moment of the system come mostly from the Fe atom chain. The magnetic moment on an Fe atom, the total magnetic moment and spin polarization decrease by increasing the axial separation of the Fe atom chain for the system. The BNNT can be used in the magnetic nanodevices because of higher magnetic moment and spin polarization.     

Development of a Novel Electrochemical Sensor Based on Gold Nanoparticle-Modified Carbon-Paste Electrode for the Detection of Congo Red Dye

In this study, gold nanoparticles (AuNPs) were electrodeposited on samples of a carbon-paste electrode (CPE) with different thicknesses. The prepared AuNPs were characterized using different analysis techniques, such as FTIR, UV–Vis, SEM, EDX, TEM images, and XRD analysis. The fabricated modified electrode AuNPs/CPE was used for the sensitive detection of Congo red (CR) dye. Electrochemical sensing was conducted using square-wave voltammetry (SWV) in a 0.1 M acetate buffer solution at pH 6.5. The proposed sensor exhibited high efficiency for the electrochemical determination of CR dye with high selectivity and sensitivity and a low detection limit of 0.07 μM in the concentration range of 1–30 μM and 0.7 μM in the concentration range of 50–200 μM. The practical application of the AuNPs/CPE was verified by detecting CR dye in various real samples involving jelly, candy, wastewater, and tap water. The calculated recoveries (88–106%) were within the acceptable range.     

Effects of TiO<Subscript>2</Subscript> on the hydrophilicity of сotton/polyester (50/50) blend fabric under UV irradiation

Alkaline TiO₂ nanoparticles treated cotton/polyester (50/50) blend fabric were prepared, and then exposed to UV irradiation. It was found that the addition of a small amount of TiO₂ nanoparticles to the coating solution improves the hydrophilicity and mechanical strength of the fabrics. The treated fabrics exhibited high water absorption as well as better hydrophilicity compared to the untreated sample. Compared to the surface of untreated blend fabric, scanning electron microscopy showed that the surface of the modified blend fabric becomes rough and covered by a layer of other materials. Furthermore, X-ray diffraction demonstrated the formation of crystalline material. In addition, thermograms showed that the modification process improved the thermostability of blend fabric.