H2O Mixtures Research Articles

Leaching of Smelting Reduced Metallic Alloy of Spent Lithium Ion Batteries by the Mixture of Hydrochloric Acid and H2O2

Leaching of Smelting Reduced Metallic Alloy of Spent Lithium Ion Batteries by the Mixture of Hydrochloric Acid and H2O2

RETRACTED: New Cu(II) coordination polymer inhibits cervical cancer development by regulating BRCA1 protein via miR-9-5p

A novel Cu(II)-based coordination polymer [chemical composition, {[CuL(CH3CO2)](H2O)(DMF)}n (1, DMF=N,N-dimethylformamide) was successfully prepared via Cu(NO3)2·3H2O reaction with HL ligand in DMF and H2O mixture by using a hetero-donor ligand 4-(bis(4-(4H-1,2,4-triazol-4-yl)phenyl)amino)benzoic acid (HL) featuring carboxylic acid and triazole groups. Reverse transcription-polymerase chain reaction (RT-PCR) was adopted to determine miR-9-5p expression in cervical cancer cells after compound treatment. Bioinformatic analysis and luciferase reporter assay were utilized to confirm miR-9-5p and BRCA1 interaction to discover the potential goal of miR-9-5p in cervical cancer cells. Cell Counting Kit-8 (CCK-8) and reactive oxygen species (ROS) detection kits were adopted to examine cancer cell proliferation and ROS accumulation after compound treatment.

Nonenzymatic Hydrogen Peroxide Detection Using Surface-Enhanced Raman Scattering of Gold-Silver Core-Shell-Assembled Silica Nanostructures.

Hydrogen peroxide (H2O2) plays important roles in cellular signaling and in industry. Thus, the accurate detection of H2O2 is critical for its application. Unfortunately, the direct detection of H2O2 by surface-enhanced Raman spectroscopy (SERS) is not possible because of its low Raman cross section. Therefore, the detection of H2O2 via the presence of an intermediary such as 3,3,5,5-tetramethylbenzidine (TMB) has recently been developed. In this study, the peroxidase-mimicking activity of gold–silver core–shell-assembled silica nanostructures (SiO2@Au@Ag alloy NPs) in the presence of TMB was investigated using SERS for detecting H2O2. In the presence of H2O2, the SiO2@Au@Ag alloy catalyzed the conversion of TMB to oxidized TMB, which was absorbed onto the surface of the SiO2@Au@Ag alloy. The SERS characteristics of the alloy in the TMB–H2O2 mixture were investigated. The evaluation of the SERS band to determine the H2O2 level utilized the SERS intensity of oxidized TMB bands. Moreover, the optimal conditions for H2O2 detection using SiO2@Au@Ag alloy included incubating 20 µg/mL SiO2@Au@Ag alloy NPs with 0.8 mM TMB for 15 min and measuring the Raman signal at 400 µg/mL SiO2@Au@Ag alloy NPs.

Effect of Water on Phenol Separation from Model Oil with Ionic Liquids Based on COSMO-RS Calculation and Experimental Study.

Ionic liquids (ILs) are widely used in the extraction of phenolic compounds from low-temperature coal tar (LTCT). However, both ILs and LTCT contain a certain amount of water. The existence of water may have a remarkable impact on the phenol separation performance of ILs with different structures. In this work, the capacity and selectivity for m-cresol, as well as the solubility of cumene and dodecane in different IL–H2O mixtures, were firstly calculated by the conductor-like screening model for real solvents (COSMO-RS) at infinite dilution. The calculation covers ILs with different anionic and anionic structures and different water contents. To explore the effect of water in IL on separation performance, 1-ethyl-3-methyl imidazolium acetate ([C2mim][Ac]) was selected as the representative IL, and then the molecular interactions between the [C2mim][Ac]–H2O mixture solvent and solute (including m-cresol, cumene, and dodecane) were analyzed by COSMO-RS. The results indicated that both water and m-cresol could form hydrogen bonds with [C2mim][Ac]. The competition between them leads to decreasing separation performance for m-cresol of the [C2mim][Ac]–H2O mixture with increasing water content. Moreover, through analyses of m-cresol extraction efficiency, distribution coefficient, selectivity, and entrainment of cumene and dodecane, the experimental results confirmed that the presence of water in [C2mim][Ac] had a negative effect on the separation of m-cresol. The viscosity and UV–vis spectra of the [C2mim][Ac]–H2O mixture were also measured. Water in ILs should be removed as much as possible to ensure a better dephenolization effect and avoid phenol containing wastewater.

Biphenyl-Induced Superhelix in l -Phenylalanine-Based Supramolecular Self-Assembly with Dynamic Morphology Transitions

Biphenyl-Induced Superhelix in <scp>l</scp> -Phenylalanine-Based Supramolecular Self-Assembly with Dynamic Morphology Transitions

Pd Doped on TCH@SBA-15 Nanocomposites: Fabrication and Application as a New Organometallic Catalyst in the Three-Component Synthesis of N-Benzo-imidazo- or -thiazole-1,3-thiazolidinones.

In this study, Pd(II)/TCH@SBA-15 nanocomposites were synthesized by the grafting of 3-chloropropyltriethoxysilane and thiocarbohydrazide on SBA-15 and subsequent deposition of palladium acetates through the ligand–metal coordination method. The structure and morphology of this nanoporous nanocomposite was thoroughly identified by Fourier transform infrared spectroscopy, field emission scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, thermogravimetric analysis, atomic absorption spectroscopy, and Brunauer–Emmett–Teller instrumental analyses. Furthermore, the catalytic activity of this nanocomposite was investigated in the three-component synthesis of 3-benzimidazolyl or benzothiazoleyl-1,3-thiazolidin-4-ones via a reaction of 2-aminobenzimidazole or 2-aminobenzothiazole, aromatic aldehydes, and thioglycolic acid in an acetone–H2O mixture under green conditions. The Pd/TCH@SBA-15 nanocatalyst is demonstrated to exhibit a high catalyzing activity in the three-component reaction of the synthesis of N-heterocyclic thiazolidinones with good to excellent yields. One of the advantages of the suggested method is the direct application of the thiocarbohydrazide ligand to stabilize Pd nanoparticles through formation of a stable ring complex without creating an additional Schiff base step. Moreover, this organometallic nanocatalyst can be recycled several times with no notable leaching or loss of performance.

Deep learning based rapid calculation approach for gas radiation characteristics considering foreign gas collision broadening

The line-by-line method(LBL) is the most accurate radiation calculation method, but it is difficult to practically apply due to its complicated and time-consuming calculation process. The heterogeneous particle collision broadening of foreign gas must be considered under mixed gas conditions. Simply replacing with air broadening will bring unexpected errors. A rapid radiation calculation method based on back-propagation neural network (BPNN) is proposed in this paper. This method fully considers the influence of foreign gas under mixed gas conditions. It has the advantages of high calculation efficiency, accuracy equivalent to the line-by-line method, and small storage space required. In this paper, the calculation of the radiation characteristics of a mixture of CO2, H2O, and air near 2.7 μm is studied as an example. Three methods of LBL, BPNN, and LBL which use air broadening instead of specific gas broadening (LBL(A)) are compared. The results show that LBL(A) has an obvious error under some conditions. Meanwhile, BPNN can be 3 orders of magnitude faster than LBL with relative error less than 0.2%, and the storage space is only about 6 M.

One pot three component synthesis of 2-amino-4H-chromene derivatives under microwave irradiation using Sr2As2O7 nanocatalyst

2-Amino-4H-chromene compounds are belonged to an important heterocyclic groups that have extensive important in organic chemistry and medicine. The compounds have anti-cancer, anti-bacterial, anti-coagulation and anti-tumor properties and have applications to produce dye, make up and hygienic materials. Until know, several methods have been reported for the synthesis of the compounds. Most of them, suffers defects such as poisoning and volatile solvents, low yield, high length reaction time, and no reusability of used catalyst. In the present work, Sr2As2O7 pyrochlore material was used as a catalyst for the synthesis of 2-amino-4H-cromens derivatives using a three component one-pot synthesis method under microwave irradiation. The raw materials were aromatic aldehydes, malononitrile and beta-naphtol. Sr2As2O7 was synthesized by an ultrasonic assisted solvothermal method using H2O and C2H5OH solvents mixtures at the 1:1 volumetric ratio. The materials were characterized by PXRD, FESEM and FTIR techniques. Then, the catalytic performance of the synthesized nanomaterial was used for the synthesis of 2-amino-4H-chromene derivatives. To do the process, the reaction parameters such as reaction time, solvent type and catalyst amount were optimized and the reactions were performed under the conditions. It was found that the optimum conditions were 15 mg catalyst, H2O as solvent and 6-9 min reaction time.

Effects of Metal Ions on Aqueous-Phase Decomposition of α-Hydroxyalkyl-Hydroperoxides Derived from Terpene Alcohols.

We report the results of a mass spectrometric study of the effects of atmospherically relevant metal ions on the decomposition of α-hydroxyalkyl-hydroperoxides (α-HHs) derived from ozonolysis of α-terpineol in aqueous solutions. By direct mass spectrometric detection of chloride adducts of α-HHs, we assessed the temporal profiles of α-HHs and other products in the presence of metal ions. In addition, reactions between α-HHs and FeCl2 in the presence of excess DMSO showed that the amount of hydroxyl radicals formed in a mixture of α-terpineol, O3, and FeCl2 was 5.7 ± 0.8% of the amount formed in a mixture of H2O2 and FeCl2. The first-order rate constants for the decay of α-HHs produced by ozonolysis of α-terpineol in the presence of 5 mM acetate buffer at a pH of 5.1 ± 0.1 were determined to be (4.5 ± 0.1) × 10-4 s-1 (no metal ions), (4.7 ± 0.2) × 10-4 s-1 (with 0.05 mM Fe2+), (4.7 ± 0.1) × 10-4 s-1 (with 0.05 mM Zn2+), and (4.8 ± 0.2) × 10-4 s-1 (with 0.05 mM Cu2+). We propose that in acidic aqueous media, the reaction of α-HHs with Fe2+ is outcompeted by H+-catalyzed decomposition of α-HHs, which produces the corresponding aldehydes and H2O2, which can in turn react with Fe2+ to form hydroxyl radicals.

Absorption of deuterated water vapor in the 1.98 µm spectral region

New spectra of water samples enriched by deuterium were recorded between 4500 and 5800 cm−1 using a Fourier transform spectrometer Bruker IFS 125HR combined to multi-pass cells. The spectra were recorded at room temperature with a non apodized resolution of 0.01 cm−1, using water evaporated from a D2O+H2O mixture in the liquid phase. The water vapor pressure was about 1.5 Torr and the absorption path was more than 100 m. A special attention was paid to the experimental procedure allowing to obtain HDO in the gas phase, and also to determine the partial pressure of all isotopologues. Synthetic spectra were compared to the observed ones. Numerous examples of disagreements between measurements and simulations using existing water line lists were observed for deuterated water species. Some lacks were found in the HITRAN2016 line list. A list of 580 transitions is reported that corrects erroneous and missing lines.

Porous Silica Particles Modified in a NH3 + H2O + H2O2 Mixture: Structure, Filling with Cobalt Oxide, and Catalytic Activity for CO Conversion

Porous Silica Particles Modified in a NH3 + H2O + H2O2 Mixture: Structure, Filling with Cobalt Oxide, and Catalytic Activity for CO Conversion

Thermodynamic modeling of iron and zinc reduction from B&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt; ‒ CaO ‒ Fe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt; ‒ ZnО melt by СО ‒ CO&lt;sub&gt;2&lt;/sub&gt; and H&lt;sub&gt;2&lt;/sub&gt; ‒ Н&lt;sub&gt;2&lt;/sub&gt;О mixtures

The paper presents the thermodynamic modeling results of zinc and iron reduction from B2O3 ‒ CaO ‒ Fe2O3 ‒ ZnО melts by CO ‒ CO2 and H2 ‒ H2O mixtures containing 0 – 60 % CO2 (H2O) at 1273 – 1673 K using a technique describing the reduction of metals from an oxide melt by gas in bubbling processes, under conditions that provide an approximation to real systems. Its originality is equilibrium determination for each individual portion of gas supplied into the working fluid. The reducible metals oxides content in each calculation cycle is taken from the previous data. During the calculations, changes in the content of zinc (СZnO ) and iron (СFe2O3 , СFe3O4 and СFeO ) oxides in the melt and the degree of their reduction were estimated. When using CO or H2 as a reducing agent, this process proceeds in three stages. In the first stage, Fe2O3 is reduced to Fe3O4 and FeO. CFe2O3 values decrease to almost zero, while CFe3O4 and CFeO increase simultaneously. By the end of the stage, СFe3O4 reaches its maximum value. At the second stage, the Fe3O4 → FeO transition occurs, when СFeO values reach its maximum. At these stages, there is a slight increase in the CZnO . At the third stage, the values CFeO and CZnO decrease, and iron and zinc are reduced. An increase in temperature dramatically reduces the gas consumption for zinc reduction by 2 – 3 times, and the replacement of CO with H2 reduces it by less than 20 %. In the presence of oxidizing agents (CO or H2O), only zinc is reduced. The process ends when the final content of zinc oxide in the melt corresponds to the equilibrium with the initial gas composition. The higher the temperature, the less CZnO is. The obtained data are useful for the development of technologies for the selective recovery of metals.

N-face GaN substrate roughening for improved performance GaN-on-GaN LED

Purpose This study aims to focus on roughening N-face (backside) GaN substrate prior to GaN-on-GaN light-emitting diode (LED) growth as an attempt to improve the LED performance. Design/methodology/approach The N-face of GaN substrate was roughened by three different etchants; ammonium hydroxide (NH4OH), a mixture of NH4OH and H2O2 (NH4OH: H2O2) and potassium hydroxide (KOH). Hexagonal pyramids were successfully formed on the surface when the substrate was subjected to the etching in all cases. Findings Under 30 min of etching, the highest density of pyramids was obtained by NH4OH: H2O2 etching, which was 5 × 109 cm–2. The density by KOH and NH4OH etchings was 3.6 × 109 and 5 × 108 cm–2, respectively. At standard operation of current density at 20 A/cm2, the optical power and external quantum efficiency of the LED on the roughened GaN substrate by NH4OH: H2O2 were 12.3 mW and 22%, respectively, which are higher than its counterparts. Originality/value This study demonstrated NH4OH: H2O2 is a new etchant for roughening the N-face GaN substrate. The results showed that such etchant increased the density of the pyramids on the N-face GaN substrate, which subsequently resulted in higher optical power and external quantum efficiency to the LED as compared to KOH and NH4OH.

Investigation of transportation of nanofluid within non-equilibrium porous media

In this investigation, numerical modeling for the behavior of nanomaterial inside a porous zone with imposing Lorentz force has been illustrated. The working fluid is a mixture of H2O and CuO and due to concentration of 0.04, it is reasonable to use the homogeneous model. Two-temperature model for porous zone was employed in which new scalar for calculating temperature of solid region was defined. CVFEM has been applied to model this complex physics. Radiation terms were considered and their influence on Nu has also been considered. Verification with benchmark proves greater accuracy. Dispersing nanopowders helps the fluid to increase velocity and reduce the temperature of inner wall. Rise of Ra results in three strong eddies inside the zone which creates two thermal plumes and it reduces the temperature of square surface about 68%. With rise of Nhs, the power of counter-clockwise vortex reduces about 61.6% and inner wall becomes warmer about 33.3%. Raising the Ha makes thermal plume to vanish and cooling rate decreases about 46.6%. Augment of Nhs makes Nu to reduce about 5.08% while augment of Ra makes it to augment about 35.64%. Also, augmenting Ha makes Nu to decline about 56.45%.

MnFe2O4 nanoparticulate obtained by microwave-assisted combustion: An efficient magnetic catalyst for degradation of malachite green cationic dye in aqueous medium

The reaction of Mn(NO3)2, Fe(NO3)3 and citric acid assisted by microwave allowed the preparation of nanoparticles of MnFe2O4. The diffraction patterns were assigned to the cubic phase and the material crystallize in the space group Fd-3m (Oh7, n° 227). A full analysis of the infrared bands through group theory showed that four bands, F1u, are active in the IR and five A1g, Eg and 3F2g, are detected in the Raman spectrum. Neither of them is coincident. The HRTEM confirmed the nanometric size of MnFe2O4 and allowed the determination of the inter-planar distances, 0.164, 0.256, and 0.300 nm, in the polycrystalline sample. The SEM images show the formation of irregular-shaped agglomerates. A ζ of (−21.4 ± 0.3) mV was obtained for the aqueous suspension of MnFe2O4. The catalytic degradation of the malachite green (MG) was studied using a mixture of H2O2 and MnFe2O4 nanoparticles. The dye was completely decomposed after 60 min forming colourless products. In addition, the kinetic study revealed that the degradation process follows a first-order Langmuir-Hinshelwood kinetics. Finally, we have investigated the toxicity of the degraded products in comparison with the original material, in the presence of brine shrimp (A. Salina). The results showed that a non-degraded solution of malachite green is 70% more lethal for this microorganism than the products obtained after the degradation process.

Process optimization and safety assessment on a pilot-scale Bunsen process in sulfur–iodine cycle

This study investigates Bunsen reaction in the sulfur-iodine (SI) cycle for optimal conditions and specification of equipment in terms of the maximum HI yield and the least impurities in HIx (mixture of HI, I2 and H2O), the reaction safety, and dispersion of SO2 gas and HIX solution for leakage accident. The pilot-scale Bunsen process was simulated and validated. The optimization of the Bunsen reactor, 3-phase separator, and HIX purifier have been investigated in order to parameterize the operating conditions and equipment specification for three cases: (1) Maximize the HI yield for the final product (2) Minimize the H2SO4 impurities (3) Multi-objective case of both maximum HI production and minimum impurities. The gas reactivity safety was investigated on HI, H2SO4, I2, SO2, H2O, and O2. Also, the SO2 gas dispersion distance for 30 ppm, 0.75 ppm, and 0.2 ppm and HI dispersion distance for 120 ppm, 25 ppm, and 1 ppm was investigated for targeted unit operators at each optimization scenario. The deviation between pilot-scale experiment and simulation case falls within 1–3% for Bunsen reactor, 6~8% for 3-phase separator, and 2~4% for HIX purifier. The maximized HI production was increased by 17% for the maximum HI yield case from the designed case. The size and temperature of the Bunsen reactor was increased to enhance the reaction. However, the HIX purifier size was reduced since reverse Bunsen reaction causes loss in HI product. The H2SO4 impurities in the minimize H2SO4 impurities case were reduced by 71% from the designed case. The size of the Bunsen reactor remained the same as design case, but the HIX purifier size was increased to enhance the reverse Bunsen reaction. For multi-objective case, the HI productivity was increased by 16% and the H2SO4 impurities were reduced by 67% simultaneously. According Chemical Reactivity Worksheet (CRW) result, O2 should therefore not be stored with any components except iodine. For SO2 and HIX dispersion assessment, the maximum HI yield case reveals the maximum dispersion of SO2 gas and HIX solution from the Bunsen reactor. The dispersion from 3-phase separator was almost the same for all the cases. For HIX purifier, the minimum H2SO4 case exhibited the longest distance of SO2 gas and HI solution dispersion. At 3 bar and 140 °C, the maximum SO2 and HIX dispersion distance were occurred.

Erratum: Neutron Spin Echo Spectroscopy as a Unique Probe for Lipid Membrane Dynamics and Membrane-Protein Interactions.

Erratum: Neutron Spin Echo Spectroscopy as a Unique Probe for Lipid Membrane Dynamics and Membrane-Protein Interactions.

Evaluation of zinc and cadmium levels in the biological samples of Ewing sarcomas patients and healthy subjects

BackgroundEwing’s sarcoma is a very rare type of cancerous tumor that grows in bones or the soft tissue around the bones, such as cartilage or the nerves. It frequently affects the people at the age of 10 to 20 years and has elevated rate of being cured. MethodsAssessment of essential trace [zinc (Zn)] and toxic [cadmium (Cd)] elements in biological samples (scalp hair and blood) of Ewing sarcoma patients (n = 87 age ranging 07–19 years) residents of various cities of Pakistan was done. For comparative study, the biological samples of age matched healthy (referent) subjects (n = 62) were also analyzed for selected metals. The matrices of biological samples was oxidized with the help of HNO3 (65%) and H2O2 (30%) mixture at the ratio of 2:1 with the aid of microwave oven. The oxidized biological samples were subjected to atomic absorption spectrometry for their determination. ResultThe Zn contents in the scalp hair and blood samples of different types of Ewing sarcoma patients were found to be lower, in the range of (45.9–141.2 µg/g) and (0.65–3.12 mg/l), respectively than the biological samples of referent subjects (246–265 µg/g) and (6.40–7.25 mg/l), respectively. Whilst, the Cd concentrations in the scalp hair and blood samples of different types of Ewing sarcoma patients were found to be higher, in the range of (2.70–5.60 µg/g) and (2.46–5.64 µg/l), respectively than the biological samples of controls (1.49–1.79 µg/g) and (1.52–1.90 µg/l), respectively. The biochemical parameters including hemoglobin% and RBC counts were significantly lower in patients than referents (p < 0.001), whereas WBC counts was alarmingly higher in patients than referents (p < 0.001). ConclusionThe resulted data will be helpful to treat patients of Ewing sarcoma with mineral supplement contains essential trace element (Zn) in recommended dose to further increase their survival rate.

Synergistic Coupling of CO2 and H2O during Expansion of Clays in Supercritical CO2-CH4 Fluid Mixtures.

We used IR and XRD, with supporting theoretical calculations, to investigate the swelling behavior of Na+-, NH4+-, and Cs+-montmorillonites (SWy-2) in supercritical fluid mixtures of H2O, CO2, and CH4. Building on our prior work with Na-clay that demonstrated that H2O facilitated CO2 intercalation at relatively low RH, here we show that increasing CO2/CH4 ratios promote H2O intercalation and swelling of the Na-clay at progressively lower RH. In contrast to the Na-clay, CO2 intercalated and expanded the Cs-clay even in the absence of H2O, while increasing fluid CO2/CH4 ratios inhibited H2O intercalation. The NH4-clay displayed intermediate behavior. By comparing changes in the HOH bending vibration of H2O intercalated in the Cs-, NH4-, and Na-clays, we posit that CO2 facilitated expansion of the Na-clay by participating in outer-sphere solvation of Na+ and by disrupting the H-bond network of intercalated H2O. In no case did the pure CH4 fluid induce expansion. Our experimental data can benchmark modeling studies aimed at predicting clay expansion in humidified fluids with varying ratios of CO2 and CH4 in real reservoir systems with implications for enhanced hydrocarbon recovery and CO2 storage in subsurface environments.

Liquid and Dense Phase Thermal Conductivity Measurements of CO2 + N2 and CO2 + CH4 Mixtures at Temperatures from 223 K to 308 K and Pressures up to 20 MPa

New data are presented for the thermal conductivity for CO2-rich binary mixtures in the liquid and dense phase, for temperatures between 223 and 308 K and pressures up to 20 MPa. Binary mixtures with mole fractions of 5% nitrogen and 5, 10, and 20% methane were investigated. Understanding the fluid properties of CO2-rich mixtures at relevant conditions is important for the deployment of efficient and robust systems for carbon dioxide capture and storage (CCS), but except that for water-rich CO2 + H2O mixtures, no thermal conductivity data on liquid or dense phase mixtures including CO2 are known to be reported prior to this work.