L-Arginine and zinc ion effect on recognition and hydrolysis rate of adenosine 5′-triphosphate

Zn²⁺ can interact with adenosine 5′-triphosphate (ATP) by electrostatic and coordination interactions, and the interaction sites between Zn²⁺ and ATP vary at different pH in the ATP–Zn²⁺ binary system. Non-covalent interactions exist between the carboxyl of arginine (Arg) and Zn²⁺, which led to competition between ATP and Arg to interact with Zn²⁺ in the ATP–Zn²⁺–Arg ternary system. Kinetics studies show that the hydrolysis rate constant of ATP in the ATP–Zn²⁺ binary system was 2.44?×?10^?2?min^?1, about 11-fold faster than that (2.27?×?10^?3?min^?1) in the ATP–Zn²⁺–Arg ternary system. This may be attributed to coordination interactions between the carboxyl of Arg and Zn²⁺ and the decreased activity of zinc ion toward the phosphate groups via nucleophilic attack. A mechanism that the hydrolysis occurred through an addition–elimination mechanism is proposed.     

Comparative study on the inhibitive effect of Sulfadoxine–Pyrimethamine and an industrial inhibitor on the corrosion of pipeline steel in petroleum pipeline water

The corrosion inhibition characteristics of Sulfadoxine plus Pyrimethamine (S&P) was evaluated and compared with the inhibition performance of an industrial corrosion inhibitor (S-Ind) under anaerobic condition. Modified gravimetric and electrochemical techniques were used. The corrosion inhibition efficiencies of both S&P and S-Ind were comparable for all the techniques applied. S&P gave slightly higher inhibition efficiency, while S-Ind gave a more steady corrosion protection. The corrosion inhibition efficiencies increased with increased concentration of both substances. The polarization curves showed mixed inhibition behavior for both S&P and S-Ind. A mechanism of chemisorption was proposed for the adsorption of S&P and S-Ind on pipeline steel surface, while the negative Gibbs free energy of adsorption values indicates a spontaneous adsorption process. The adsorption characteristics of the inhibitors were fitted into Langmuir adsorption isotherm.     

Experimental study of the influence of solvent and asphaltenes on liquid–solid phase behavior of paraffinic model systems by using DSC and FT-IR techniques

This experimental work presents the results of a study about the liquid–solid phase behavior of high molecular weight n-paraffins (C₂₄–C₂₈ mixture and C₃₆ pure) in aliphatic (n-decane and squalane) and aromatic (xylene and 1-phenyl dodecane) solvents. The effect of asphaltenes of different chemical nature over the liquid–solid behavior of heavy n-paraffins is also studied. Differential Scanning Calorimetry (DSC) was used to obtain the phase transitions onsets and enthalpies as well as the wax solubility curves. Crystallinity was studied by using both DSC and Infrared Spectroscopy (FT-IR) techniques. The results obtained and presented in this study showed that both, solvent and asphaltenes as well as their chemical nature have a significant effect on paraffin crystallization process.     

Investigating the effect of PEG200 and two-dimensional h-BN on PVDF membrane performance for membrane distillation–crystallization

Although water supplies are prominently dependent on desalination technology, desalination plant facing severe issues of discharged brine concentrate. Membrane distillation crystallization is an emerging synergistic technology that resolves the issue of brine concentrate by recovering clean water and value-added minerals simultaneously. In the present study, properties of polyvinylidene fluoride (PVDF) membrane were modified by incorporation of exfoliated fillers of hexagonal boron nitride and polyethylene glycol. The changes in morphology, surface roughness, hydrophobicity, thermal stability, and chemical composition of the prepared membranes were evaluated by scanning electron microscopy, atomic force microscopy, contact angle, thermogravimetric analysis, Fourier-transform infrared spectroscopy, respectively. Membrane distillation crystallization experiments were conducted to observe the effect of modified membranes on the permeate flux and salts recovery at different feed temperatures. The results showed a significant improvement in the permeate flux with modified membranes compared with pure PVDF membrane. It was found that hexagonal boron nitride/polyethylene glycol200 incorporated PVDF membrane gave the higher permeate flux (3.41 kg/m² h for K₂SO₄ and 2.62 kg/m² h for KNO₃) at a temperature of 80 °C along with higher salts recovery than pure PVDF membranes. A 100 h long run test was conducted on modified membranes, which showed consistency in permeate flux with a marginal increase in conductivity.     

Study of effect of phosphate and uranium ions on the thermal properties of surfactant-modified natural red clay using TG–FTIR–MS techniques

Products of sorption of uranyl ions on HDTMA-red clay in the presence of phosphates were characterized by thermal analysis. It was established on the basis of DTG curves of the sorption products and FTIR spectra of the gaseous phase of sorption products decomposition that the thermal stability of the mineral increased when P(V) ions were sorbed along with U(VI) ions, i.e., the temperature of defragmentation/oxidation of surfactant increased when going from U(VI)–HDTMA-clay to U(VI)–P(V)–HDTMA-clay to P(V)–HDTMA-clay. The DSC curves of the sorption products showed that defragmentation/oxidation was an exothermic process and dehydration and dehydroxylation had an endothermic character. The investigated sorption system has practical importance, since an evident increase in U(VI) sorption over the entire pH range is observed when going from U(VI)–HDTMA-clay to U(VI)–P(V)–HDTMA-clay.

     

A comparative study of complexation of enalapril with α-, β- and γ-cyclodextrins in aqueous medium: structure elucidation of inclusion complexes using NMR spectroscopic and molecular mechanics methods

Structural studies of complexes of enalapril maleate with α-, β- and γ-cyclodextrins were carried by NMR spectroscopy and computational methods. The formation of complexes of enalapril with all the three cyclodextrins was established by chemical shift changes observed in the cavity protons of cyclodextrins in the presence of enalapril maleate. The stoichiometry of the complexes was determined to be 1:1 by ¹H NMR titrations studies using Scott’s method. Intermolecular cross peaks observed in the 2D ROESY spectra of mixtures of enalapril maleate with three cyclodextrins helped in establishing the probable structures of these inclusion complexes which were supported by molecular mechanics (MM2) studies. Enalapril forms 1:1 inclusion complex with all the studied cyclodextrins through aromatic ring. The mode of approach of aromatic ring to the α-cyclodextrin cavity was found to be different from those of β- and γ-cyclodextrins, which were identical.     

Raman spectroscopic study of the uranyl sulphate mineral zippeite: low wavenumber and U–O stretching regions

The uranyl sulphate mineral zippeite was studied by Raman spectroscopy. The phase purity of the sample was initially checked by X-ray powder diffraction and its chemical composition was defined by electron microprobe (wavelength dispersive spectroscopy, WDS) analysis. The Raman spectroscopy research focused on the low wavenumber and uranyl stretching vibration regions. Vibration bands down to 50 cm^–1 were tentatively assigned. The U–O bond lengths were calculated based on empirical relations. Inferred values are consistent with those obtained from the crystal structure analysis of synthetic zippeite. Number of bands was interpreted on the basis of factor group analysis.     

Surface enhanced Raman spectroscopic study of α-bithiophene and α-quaterthiophene molecules adsorbed on silver sols

Surface enhanced Raman scattering (SERS) has been observed from α-bithiophene (2T) and α-quaterthiophene (4T) adsorbed on Ag sols. Experimental results suggest that the adsorbed oligothiophene molecules are anti but twisted and the twist angle is smaller in the surface adsorbed state than in solution. It has been observed that the enhancement factor decreases with the increase of the chain length and maximum enhancement is obtained at a higher concentration for the longer oligomer. The Raman excitation frequency dependence of the enhancement suggests a significant classical electromagnetic contribution to the SERS of oligothiophenes in Ag sols     

Essential oil from Rhaponticum acaule L. roots: Comparative study using HS-SPME/GC/GC–MS and hydrodistillation techniques

The composition of essential oil extracted from Rhaponticum acaule L. roots growing wild in Algeria was studied by hydrodistillation (HD) and by Head-Space Solid Phase Micro-Extraction (HS-SPME). Quantitative but not qualitative differences have been found in the chemical composition of both analysed samples depending on the extraction method. However, the oil obtained from R. acaule roots shows that aliphatic alcohols were found to be the major class (69.2%), followed by the terpenes (5.5%), alkenes (5.2%) and alkynes (4.0%). In both cases the analysis were carried out using Gas Chromatography (GC) and Gas Chromatography–Mass Spectrometry (GC–MS). Our study shows that HS-SPME extraction could be considered as an alternative technique for the isolation of volatiles from plant. 25 components were identified in oil vs. 39 in the HS-SPME. However the oil composition of roots was mainly represented by a variety of aliphatic hydrocarbons (alcohols, aldehydes and ketones) and terpenes which are known for their antimicrobial activities.     

Sol–gel synthesis of calcium hydroxyapatite thin films on quartz substrate using dip-coating and spin-coating techniques

Sol–gel synthesis route was suggested to prepare calcium hydroxyapatite (Ca₁₀(PO₄)₆(OH)₂, CHA) thin films on quartz substrates. CHA thin films were obtained using dip-coating and spin-coating techniques by coating the substrates 1, 5, 15 and 30 times. In the sol–gel process, the ethylenediaminetetraacetic acid and 1,2-ethandiol as complexing agents were used. Moreover, triethanolamine and polyvinyl alcohol were used as gel network forming materials. After each coating procedure the films were annealed at 1,000 °C. The results obtained from dip-coating and spin-coating techniques were compared in this study. It was demonstrated, that the formation of calcium hydroxyapatite depends on dipping (or spinning) time and annealing duration.     

Comparative study of 17��-estradiol removal from aqueous solutions using pine bark and almond shell as adsorbents

We have investigated the adsorption of the endocrine disruptor 17?-estradiol (E2) on pine bark and almond shell. These traditional Portuguese agro-forestry by-products were milled, sieved into different particle size fractions and submitted to two different kinds of treatment. Adsorption experiments were conducted in batch system at room temperature and at pH 4.75 and 6.80, respectively, for pine bark and almond shell. E2 was more effectively adsorbed on 100 to 150???m particles of both sorbents. Pine bark washed with hot water and pine bark treated with formaldehyde showed higher percentage of adsorption than any other material tested at doses of 5.0?g?L^?1. The adsorption was of comparable efficiency in case of almond shells at doses of around 20?g?L^?1. In this case, the percentage of adsorption was found to be 88 and 90% for the sorbents treated with formaldehyde or washed with hot water. The adsorption isotherms were found to fit a Freundlich equation, with correlation coefficients (R²) between 0.904 and 0.998. The sorption coefficient (K_F) ranged from 0.03 to 29.9 (mg^1?1/n L^1/n g^?1). The differences observed among the adsorption capacities are discussed in terms of physico-chemical characterization of the materials.

A combined electrochemical and DFT study of the lattice strain effect on the surface reactivity of Pd

We report a combined study of electrochemical experiments and ab initio calculations on tuning the surface reactivity of Pd via a compressive lattice strain achieved by employing nanoparticles of Pd-Cu alloys with a Pd-rich surface.Surface oxygen-containing species were used as the probing molecule for revealing the surface reactivity.Both density functional theory (DFT) calculations and experiments showed linear relationships,with very close slopes,between the adsorption strength of OH_(ads) and the Pd lattice constant.Not only is this work a successful realization of controllable modulation in the surface reactivity,but it also provides valuable information for the rational design of Pd-based catalysts for fuel cell applications.     

Effect of γ-dose rate and total dose interrelation on the polymeric hydrogel: A novel injectable male contraceptive

Functional necessity to use a particular range of dose rate and total dose of γ-initiated polymerization to manufacture a novel polymeric hydrogel RISUG^® (reversible inhibition of sperm under guidance) made of styrene maleic anhydride (SMA) dissolved in dimethyl sulphoxide (DMSO), for its broad biomedical application explores new dimension of research. The present work involves 16 irradiated samples. They were tested by fourier transform infrared spectroscopy, matrix assisted laser desorption/ionization–TOF, field emission scanning electron microscopy, high resolution transmission electron microscopy, etc. to see the interrelation effect of gamma dose rates (8.25, 17.29, 20.01 and 25.00 Gy/min) and four sets of doses (1.8, 2.0, 2.2 and 2.4 kGy) on the molecular weight, molecular weight distribution and porosity analysis of the biopolymeric drug RISUG^®. The results of randomized experiment indicated that a range of 18–24 Gy/min γ-dose rate and 2.0–2.4 kGy γ-total doses is suitable for the desirable in vivo performance of the contraceptive copolymer.     

Effect of pH and α-, β- and γ-cyclodextrin on the spectral properties of etoricoxib: spectroscopic and molecular dynamics study

The spectral properties of etoricoxib (ETR) at pH 2.0, 6.0 and 10.0 in the presence of cyclodextrins (CDs) were investigated. The absorption spectrum of ETR in acidic medium exhibited two bands centered at 236 and 273 nm, while in basic medium it exhibited two bands centered at 236 and 285 nm. No change in the spectrum was observed in the presence of CDs. The fluorescence emission spectra of ETR in acidic and basic media exhibited one band at 380 nm and another one at 484 nm. The emission band at 484 nm was enhanced when ETR was complexed with β-CD and γ-CD at pH 2.0, 6.0 and 10.0, while the band at 380 nm was enhanced selectively when ETR was complexed with α-CD at pH 2.0. Molecular dynamics simulations computations revealed that at pH 2.0, the sulfonyl moiety of H₂ETR²⁺ is preferentially included within the α-CD cavity, which is believed to cause the enhancement of the band at 380 nm. Moreover, at pH 6.0 and 10.0, the enhancement of the band at 484 nm was related to the inclusion of the chloropyridinyl and methylpyridinyl groups of the bipyridine moiety of HETR⁺ and ETR within β-CD and γ-CD cavities. Benesi–Hildebrand analysis showed that the ETR/β-CD complex adopts a 1:1 stoichiometry with association constant of K ₁₁?=?64.8 at pH 2.0, K ₁₁?=?105.4 at pH 6.0 and K ₁₁?=?520.5 at pH 10.0.     

The effect of silane concentration on the adsorption of poly(vinyl acetate-co-maleate) and γ -methacryloxypropyl- trimethoxysilane onto E-glass fibers

The adsorption of a poly(vinyl acetate-co-maleate) (PVAM) emulsion onto E-glass fibers was investigated along with sizing formulations prepared by mixing the PVAM with varying concentrations of -methacryloxypropyltrimethoxysilane (MPS). The sized E-glass fibers were then characterized using Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy, X-ray Photoelectron Spectroscopy (XPS) and Scanning Electron Microscopy (SEM). Loss on Ignition (LOI) along with the DRIFT spectra indicated that the addition of silane to the PVAM emulsion caused a decrease in the amount of size on the fiber. The decrease in amount of size on the E-glass fibers did not coincide with a decrease in surface coverage, instead the XPS results indicated surface coverage had increased with silane addition. These results showed that small increases in the silane concentration appear to affect the amount of size adsorbed to the E-glass fibers     

Comparative toxicity study of Ag, Au, and Ag–Au bimetallic nanoparticles on Daphnia magna

A comparative assessment of the 48-h acute toxicity of aqueous nanoparticles synthesized using the same methodology, including Au, Ag, and Ag–Au bimetallic nanoparticles, was conducted to determine their ecological effect in freshwater environments through the use of Daphnia magna, using their mortality as a toxicological endpoint. D. magna are one of the standard organisms used for ecotoxicity studies due to their sensitivity to chemical toxicants. Particle suspensions used in toxicity testing were well-characterized through a combination of absorbance measurements, atomic force or electron microscopy, flame atomic absorption spectrometry, and dynamic light scattering to determine composition, aggregation state, and particle size. The toxicity of all nanoparticles tested was found to be dose and composition dependent. The concentration of Au nanoparticles that killed 50% of the test organisms (LC₅₀) ranged from 65–75 mg/L. In addition, three different sized Ag nanoparticles (diameters = 36, 52, and 66 nm) were studied to analyze the toxicological effects of particle size on D. magna; however, it was found that toxicity was not a function of size and ranged from 3–4 μg/L for all three sets of Ag nanoparticles tested. This was possibly due to the large degree of aggregation when these nanoparticles were suspended in standard synthetic freshwater. Moreover, the LC₅₀ values for Ag–Au bimetallic nanoparticles were found to be between that of Ag and Au but much closer to that of Ag. The bimetallic particles containing 80% Ag and 20% Au were found to have a significantly lower toxicity to Daphnia (LC₅₀ of 15 μg/L) compared to Ag nanoparticles, while the toxicity of the nanoparticles containing 20% Ag and 80% Au was greater than expected at 12 μg/L. The comparison results confirm that Ag nanoparticles were much more toxic than Au nanoparticles, and that the introduction of gold into silver nanoparticles may lower their environmental impact by lowering the amount of Ag which is bioavailable.     

Comparative study on using carbon or nitrogen limited medium to culture white rot fungi for reactive brilliant red dye K-2BP decolotization under non-sterile conditions

In order to explore ways for the application of white rot fungus in dye effluent treatment under non-sterile conditions, experiment on decolorization of reactive brilliant red was carried out, employing nitrogen-limited and carbon-limited medium with C/N ratio of 56/2.2 and 28/44 (in mmol/L), respectively. The results showed that the decolorization rate reached 92% while culturing white rot fungus with ni- trogen-limited medium; however, the decolorization process ended in carbon-limited medium (n(C)/n(N) = 28/44) because of bacterial contamination. In addition, pH rose up to 9.31 after 4 d of decolorization, which was caused by bacterial contamination in the carbon-limited system. Therefore, it is concluded that nitrogen-limited medium can inhibit bacterial growth to some extent while carbon-limited medium is more easily contaminated by bacteria. Nitrogen-limited medium is more suitable in culture of white rot fungus for decolorization of reactive dye. Medium with the ability of inhibiting yeast growth should be developed by adjusting other components of nitrogen-limited medium.     

A study of photodegradation of sulforhodamine B on Au–TiO2/bentonite under UV and visible light irradiation

Au–TiO₂/bentonite samples were prepared via deposition–precipitation method and calcined at different temperatures. These samples were characterized by X-ray diffraction (XRD), UV–vis diffusion reflectance spectroscopy (DRS), BET method, X-ray photoelectron spectroscopy (XPS) and TEM. The photocatalytic activities of the samples were tested by photodegradation of sulforhodamine B (SRB) under ultraviolet (UV) and visible light irradiation. The result showed that Au–TiO₂/bentonite catalysts exhibited higher efficiency for mineralizing SRB than the well-known commercial TiO₂ photocatalyst P25 in terms of COD changes. The most important advantage of Au–TiO₂/bentonite over P25 was that it could be readily separated from aqueous suspensions by sedimentation after the reaction. It can maintain almost the same activity after being repeatedly used for 12 times. Possible mechanisms for SRB photoreaction in the presence of Au–TiO₂/bentonite were proposed in this paper.     

Conversion electron Mössbauer and XPS study on the effect of polishing of a stainless steel sample

Conversion electron Mössbauer spectroscopy (CEMS) and XPS has been used for the surface analysis of an X10CrNiTi 18/9 (DIN 1.7440)-type stainless steel in order to determine the supposed structural and/or chemical changes in the surface layer caused by polishing. Both, CEMS and XPS results can be associated with the appearance of Fe nitride in the outer layer of steel samples after polishing, while no sign of nitrogen was detected in the bulk material.