Mole Percent Research Articles

Reduced kinetics of NH3/n-heptane: Model analysis and a new small mechanism for engine applications

A compact reduced mechanism covering a wide range of conditions is developed for use in simulations of NH3/n-heptane combustion in engines. Reduction targets were selected after reviewing available experimental studies of NH3 combustion in engines. Ignition, flames and oxidation of NH3/n-heptane mixtures were targeted. Particularly, mixtures with very low molar percentage of n-heptane which are important for the applications were considered. They have been observed to have a distinct ignition behavior. Target quantities also included pollutants with a goal to account for two possible mechanisms of N2O formation in engines, discussed in literature. The reduced mechanism of this study was developed with ant colony reduction method. It consists of 57 species and 159 reactions, and its range of applicability is 10–100 atm pressure and 0–100 % NH3 in the fuel mixture. The performance of the mechanism was found comparable to larger models from literature. Importance of carbon–nitrogen interactions, influence of key reactions in the NH3 subset and effect of CO on N2O formation were analyzed and discussed in terms of the predictive ability of the reduced mechanism of the present study and those available from literature.

The 2023 Litli-Hrútur eruption of the Fagradalsfjall Fires, SW-Iceland: Insights from trace element compositions of olivine

This study provides data on the trace element composition of olivine from olivine tholeiitic basalts sampled during the July–August 2023 Litli-Hrútur eruption of the Fagradalsfjall Fires in the Reykjanes Volcanic Belt. Chemistry of the Litli-Hrútur olivine is characteristic for volcanic olivine crystals that represent products of magmatic crystallisation. The investigated olivine megacrysts show forsterite (Fo) content in the range of 81 (rims) to 85 (cores) mole percent [defined as Fo = Mg/(Mg + Fe)]. Olivine Ni concentrations (1540–1840 ppm) correlate positively with the Fo contents. In addition, Ca contents show a range from 1890 to 2460 ppm at relatively low Ti concentrations. Olivine from the Litli-Hrútur samples shows an equilibrium with peridotitic mantle melts, yet the data show that the 2023 Litli-Hrútur and the 2022 Meradalir olivine populations crystallised from compositionally more evolved magma batches than olivine crystals from the 2021 Geldingadalir eruption of the Fagradalsfjall Fires. These results imply that magmatic differentiation has taken place between the initial 2021 events and the subsequent 2022 and 2023 eruptions as a result of crystal–liquid fractionation, shifting the overall magma chemistry towards more evolved compositions with time. This implies that fractional crystallisation in sub-alkaline magma reservoirs operates on the scale of years, which is a fundamental advance in our understanding of these common magmatic systems.

Hierarchical molecular sieve-based Ce-Ru oxide for enhanced catalytic oxidation of chlorobenzene: Insight into the synergistic effect of Ce and Ru, the role of molecular sieve

In this work, a series of hierarchical molecular sieve were synthesized via adjusting the ratio of Si/Al. Then, Ce and Ru were supported on the molecular sieve and the loading amount of Ru were optimized. Catalytic evaluation showed that 5Ce0.5Ru/HZ-3 with the value Si/Al ratio of 80 performed the best catalytic activity of chlorobenzene oxidation with T50 and T90 values of 238 ℃ and 278 ℃, respectively and no chlorobenzene conversion can be seen on the 5Ce/HZ-3 and HZ-3, indicating that Ru was the active sites on 5Ce0.5Ru/HZ-3 and Ce played a promoter role in chlorobenzene oxidation. Catalytic stability showed that 5Ce0.5Ru/HZ-3 can maintain the complete conversion of chlorobenzene oxidation at 300°C for 190 h and the CO2 and HCl selectivity kept around 80% and 27%, respectively, while 5Ce0.5Ru performed worse catalytic stability and no HCl was detected. Subsequently, characterization results implied that HZ-3 with the Si/Al ratio of 80 had the biggest mesoporous volume of 0.5193 cm3·g−1 on the basis of micropore volume around 0.1236 cm3·g−1, which was beneficial to the diffusion of reactant molecule; Raman spectra implied that there is a strong interaction between Ce and Ru. H2-TPR and O2-TPD showed that 5Ce0.5Ru/HZ-3 possessed the biggest consumption of hydrogen (0.486 mmol·g−1), surface adsorbed oxygen (0.683 mmol·g−1) and surface lattice oxygen (0.626 mmol·g−1), which was conducive to the adsorption and dissociation of reactant molecule; XPS showed 5Ce0.5Ru/HZ-3 had the biggest molar percentage of Ru4+ species (79.50%) and Ce3+ species (44.14%), which can induce the generation of much more oxygen vacancies. Overall, the introduction of Ce can result in the improvement of physical-chemical properties of 5Ce0.5Ru/HZ-3. Finally, the possible reaction route was given based on the in-situ DRIFTS and TD/GC-MS result.

Hydrogels with dual sensitivity to temperature and pH in physiologically relevant ranges as supports for versatile controlled cell detachment

Thermosensitive hydrogels based on the N-vinyl caprolactam (VCL), capable of allowing for cell adhesion and proliferation, as well as non-aggressive detachment by controlled temperature drop, were functionalized with 23 % or lower molar percentages of the cationizable hydrophobic unit 2-(diisopropylamino) ethyl methacrylate (DPAEMA), to obtain networks with dual sensitivity to temperature and pH. The swelling analysis of the systems has shown a transition pK (pKb) close to physiological values, dependent on the temperature of the medium (pKb of 6.6 and 6.9 when the temperature of the medium is above and below the transition temperature VPTT, respectively) and little dependence on the degree of functionalization of DPAEMA. In addition, at temperatures below the transition temperature (VPTT), the systems have shown large swelling variations as a function of the pH (i.e. below and above the pKb), exhibiting greater absorption capacity at pHs below pKb, where the DPAEMA units are cationized. Cytocompatibility and transplant capacity have been evaluated using the C166-GFP endothelial cell line. None of the thermosensitive hydrogels with variable DPAEMA content showed a delay with respect to the control without DPAEMA neither in terms of adhesion nor in proliferation. However, by increasing the percentage of DPAEMA functionalization -and decreasing thermosensitivity-, a correlative decrease in mitochondrial activity was obtained in the transplant, with significant differences for the hydrogels with DPAEMA molar percentage of 3 % or higher. Taking advantage of the proximity of the pKb to the physiological value, we have evaluated the cellular response and the capacity for transplantation after lowering the pH to 6.5, below pKb. A direct relationship of the DPAEMA functionalization degree on the detachment efficiency was observed, since the hydrogels with the highest molar load of DPAEMA showed higher mitochondrial metabolic activity after cell detachment.

Influence of the synthesis pathway upon the thermoluminescent response of gadolinium aluminate matrix phosphors

The phosphors endowed with a glow curve have a peak much more intense than the others, sensitization to low doses, and a linear relationship between the thermoluminescent response and the dose, which are in demand in the dosimetry market. The gadolinium aluminate has been successfully used as a host lattice of phosphors with luminescent properties. Principally, the luminescent response of the said matrix has been improved by doping with rare earth ions. The thermoluminescent signal depends on the synthesis route because the defect density of a crystal is closely connected to the production pathway that the material went through. Therefore, a crucial step in sensitizing a phosphor is selecting a synthesis route that enhances the efficiency of its thermoluminescent mechanisms. The research herein focused on synthesizing phosphors composed of gadolinium aluminate with no dopant and doped with two molar percent of dysprosium, using two different routes. Among the two synthesis pathways, it was determined to be the most suitable for enhancing the thermoluminescent response of the aforementioned phosphors. The methods employed were reverse coprecipitation and the modified citrate precursor. The phosphors obtained by the reverse coprecipitation method showed the most sensitive thermoluminescent signal. Mainly, the phosphor activated with the dysprosium ion produced the most intense signal, suggesting an improvement in the thermoluminescent mechanisms due to the dopant insertion.

Antioxidant polysaccharide-enriched fractions obtained from olive leaves by ultrasound-assisted extraction with α-amylase inhibition, and antiproliferative activities.

Polysaccharide-rich materials were extracted from the alcohol-insoluble solids of Olea europaea l. **leaves. Structural characteristics were determined by colorimetric techniques, FT-IR, GC-MS, SEC/MALS/VD/DRI, and NMR (1H,13C). The extract and its main macromolecular components were characterized to assess their ability toward antioxidant, α-amylase inhibition, and antiproliferative activities. Results revealed that the ultrasound olive leave extract comprises polysaccharides with uronic acid, galactose, arabinose, and glucose in molar percentages of 11.7%, 11.3%, 7.5%, and 4.9% respectively, constituting 41% of the total mass. In addition, polyphenols (21%) and proteins (9%) are associated with these polysaccharides. Further, the extract showed noticeable ORAC and free radical scavenging abilities, in addition to high in vitro antiproliferative activity against Caco-2 colon carcinoma cell lines. Similarly, the extract exhibited a strong, uncompetitive inhibition of α-amylase by 75% in the presence of the extract with 0.75µg/mL of concentration. This research concludes that ultrasound extraction method can be used for the extraction of polysaccharide-polyphenol-protein complexes. These conjugates exhibit the potential for combined biological activities resulting from a synergistic effect of its compounds, making them promising ingredients for the development of functional food.

Prussian Blue Analogue-Derived Co3O4 as Catalysts for Enhanced Selective Oxidation of Cyclohexane Using Molecular Oxygen.

Selective conversion of inert C-H bonds in alkanes into high-value-added functional groups (alcohols, ketones, carboxylic acids, etc.) plays a vital role in establishing a green and sustainable chemical industry. Catalytic selective oxidation of cyclohexane to KA oil (cyclohexanol and cyclohexanone) is a typical representative of alkane functionalization. In this work, hollow cage-like Co3O4 (Co3O4-C) and particle Co3O4 (Co3O4-P) were synthesized by calcining two types of Prussian blue analogues (PBAs), which were used to catalyze the selective oxidation of cyclohexane. The Co3O4-C predominantly exposed (311) crystal plane is easier to adsorb cyclohexane than Co3O4-P, which is beneficial to shorten the induction period, accelerate the reaction rate, and improve the conversion. Consequently, Co3O4-C displayed a 10% conversion of cyclohexane within 1 h, and the KA oil selectivity reached 90%. The Co3O4-P exposed (220) crystal plane has a higher molar percentage of oxygen vacancies and more active oxygen species, as well as a strong cyclohexanone adsorption capacity, which is conducive to the deep oxidation of cyclohexanone to adipic acid and other diacid products. The mechanism analysis of cyclohexane oxidation catalyzed by PBA-based Co3O4 shows that it exemplifies the feasibility to tailor the surface of catalysts by modulating the PBAs, which ultimately influences their reaction performance for accelerating the reaction and maintaining high cyclohexane conversion and KA oil selectivity.

A comparison between Claus and THIOPAQ sulfur recovery techniques in natural gas plants

A sulfur recovery process is one of the most important processes in the oil and gas industry to get rid of hydrogen sulfide (H2S) which is produced from the acid gas removal process of sour natural gas to convert it into sweet natural gas. Actual data from a gas field is used to obtain a realistic comparison between two sulfur recovery techniques, through which researchers and/or manufacturers can obtain information that will help them choose the most appropriate and cheapest method. A total feed acid gas flow rate of 5.1844 MMSCFD with an H2S concentration of 24.62% by mole percent was produced from amine acid gas removal units. Claus sulfur recovery technique is a traditional chemical process that uses thermal and catalytic reactors. Therefore, an acid gas enrichment unit is applied to increase the H2S concentration to approximately 50% mole to provide reliable and flexible operation in the thermal and catalytic reactors. Moreover, a tail gas treatment unit is applied to increase the overall conversion efficiency to 99.90% with the Claus technique instead of 95.08% without it to achieve high sulfur recovery and reliable operation through the conversion of carbonyl sulfide (COS) and mercaptans. Studies on the safety and simplicity of the Claus technique revealed many important hazards and a large number of transmitters (379) and control loops (128) in one Claus train. THIOPAQ sulfur recovery as a new technology is a biological desulfurization process that uses a natural mixture of sulfide-oxidizing bacteria. It is also a unique H2S removal process with an efficiency of 99.999%. In addition, studies on the safety and simplicity of the THIOPAQ technique have shown that the hazards, the number of transmitters (74), and the number of control loops (29) of a one THIOPAQ train are lower. The THIOPAQ technique showed higher efficiency, was safer, simpler, and had lower CAPEX and OPEX. This study was conducted using Aspen HYSYS V11 and actual data.

Development of novel computational models based on artificial intelligence technique to predict the viscosity of ionic liquids-water mixtures

This paper delves into the practical application of K-Nearest Neighbors (KNN), Kernel Ridge Regression (KRR), and Lasso Regression for the prediction of viscosity of ionic liquids in a dataset characterized by categorical variables (Cation, Anion) and numeric variables (T(K), xIL(mol%)). Indeed, mole percentage of ionic liquids and temperature were considered as inputs for the models. The models' effectiveness is rigorously assessed, with K-Nearest Neighbors notably exhibiting exceptional predictive performance. To enhance model accuracy, Tabu Search is employed as an optimization tool for hyperparameter tuning. Numeric results showcase KNN's superiority, supported by a remarkable R2 test score of 0.91628 and the lowest RMSE among the models. Tabu Search optimization further refines model performance, emphasizing the critical role of hyperparameter tuning in achieving robust regression models in predicting the viscosity of ionic liquid-water mixtures. This study contributes valuable insights into the optimization process, demonstrating tangible improvements in predictive accuracy for viscosity predictions in similar contexts.

In vitro study on antioxidant and lipid-lowering activities of tobacco polysaccharides

Tobacco polysaccharides were extracted by hot water extraction, and purified and separated using DEAE-52 cellulose chromatography columns, and three purified polysaccharide fractions, YCT-1, YCT-2, and YCT-3, were finally obtained. The physicochemical properties of the three fractions were analyzed by ultraviolet spectroscopy, high-performance liquid chromatography and high-performance gel chromatography. The in vitro antioxidant activity of tobacco polysaccharides was compared among different fractions by using DPPH radical, hydroxyl radical scavenging assay and potassium ferricyanide method. The in vitro hypoglycemic activity was compared using α-amylase and α-glucosidase activity inhibition assay. And the in vitro hypolipidemic activity were investigated by using pancreatic lipase activity inhibition assay and HepG-2 intracellular lipid accumulation assay. All the results showed that the constituent monosaccharides of the three tobacco polysaccharide fractions were similar, but the molar percentages of each monosaccharide were different. The average molecular weights of the three components were 27,727 Da, 27,587 Da, and 66,517 Da, respectively, and the scavenging activities on DPPH radicals and hydroxyl radicals were at a high level with good quantitative-effect relationships. The reducing power were much lower than that of the positive control VC, and the three polysaccharide fractions had a weak inhibitory ability on α-amylase activity, but showed excellent inhibitory ability on α-glucosidase and pancreatic lipase activity. In addition, the results of cellular experiments showed that all three fractions were able to inhibit lipid over-accumulation in HepG-2 cells by increasing the mRNA expression levels of PPAR-α, CPT-1A, and CYP7A1 genes, and the tobacco polysaccharide YCT-3 showed the best effect. The mechanism by which YCT-3 ameliorated the over-accumulation of intracellular lipids in HepG-2 cells was found to be related to its influence on the expression of miR-155-3p and miR-17-3p in the exosomes of HepG-2 cells.Graphical

Visible Light Photocatalytic Degradation of Environmental Pollutants Using Zn-Doped NiO Nanoparticles

The study aims to contribute valuable insights into the potential applications of the photocatalyst, particularly in the realms of sustainable energy and environmental remediation. Here, Zn-doped NiO nanoparticles with different mole percentages of zinc ingredients are produced and analyzed. Synthesized Zn-doped NiO nanoparticles were evaluated structurally, optically, morphologically, elementally, and photocatalytically. According to X-ray diffraction analysis, cubic NiO and hexagonal Zn-doped cubic NiO nanoparticles were formed, and Fourier transform infrared spectroscopy revealed metal dopants and metal-oxygen stretching, as well as Zn substitution and stabilization. A UV analysis revealed that zinc dopants reduced visible light absorption and bandgap. A decrease in bandgap indicates the importance of zinc incorporation and its interface with NiO. Electron scanning microscopy and transmission electron microscopy confirmed that the nanoparticles exhibited quasi-spherical morphologies and contained Ni, Zn, and O elements. Photocatalytic activity of the synthesized Zn-doped NiO nanoparticles increased with increasing Zn content, achieving a maximum at 8% Zn doping into NiO lattices of 92%. Through XPS analysis, the valencies of Zn, Ni, and O elements are demonstrated, as well as electron movements and bonding between the atoms. The zinc dopants on the metal oxide surface led to charge separation and radical reactions, resulting in enhanced degradation of phorate, salbutamol, and rhoda mine B activities. Hence, Zn-doped NiO nanoparticles are proposed as effective photocatalysts for environmental remediation. The findings are expected to have implications for advancing the field of photocatalysis and addressing challenges related to pollution and energy sustainability.

The impact of trace amounts of CO2 on the high-pressure adsorption of CH4 on 5A zeolite

The impact of trace amounts of CO2 on CH4 adsorption in a zeolite at elevated pressure was examined using experimental, binary adsorption isotherms, and molecular simulations. CH4 upgrading is important for a variety of applications, and the use of zeolites for CH4 upgrading has been considered previously but, to the best of our knowledge, not at pressures between 60 and 70 bar. The non-ideality of the adsorption was examined by comparing the experimental loadings to predicted loadings from the Ideal Adsorbed Solution Theory (IAST). When adsorption occurs at a total pressure of 58–66 bar, and a CO2 fraction below 0.42 mol %, there was less than 5 % error in the CH4 IAST predicted loading compared to the experimental value, but the deviation in CO2 loading between IAST and experiments, even at these low CO2 mole percentages, varied nominally from 4 to 13 %. Above 0.42 mol % deviations from IAST were more severe. Grand Canonical Monte Carlo simulations captured the trends in the adsorption data and illustrated how CO2 molecules align in the pore when adsorbed such that oxygens on both ends of the molecule can interact with cations in the zeolite. The results highlight the applicability of adsorbent materials to separate CO2 from process streams at elevated pressure and provide molecular insights that can aid the design of adsorbent structures.

Electrochemical deposition of Cr3+ doped CuInSe2 thin films for electrocatalytic activity and photovoltaic performance

Pure CuInSe2 and CuInSe2 thin films doped with different mole percentage concentrations (1 to 5 mol%) Cr3+were deposited through a one-step electrochemical deposition technique on an ITO glass substrate. The XRD pattern displayed the structural information of the pure CuInSe2 and Cr3+incorporated CuInSe2 thin films, where all elaborated films show tetragonal structure along with (200) plane orientation. The microstructural features of CuInSe2 thin films and Cr3+doped CuInSe2 have been examined with the help of an atomic force microscope, and the surface roughness was estimated. The AFM result shows the pure and Cr3+doped CuInSe2 thin films were homogeneous, nanocrystalline particles agglomerated, void-free, compact, and well-adhesive which reveals the films having a good morphology with a hillock structure. The EIS outcomes indicate that the CuInSe2 thin film obtained from 3 mol percent Cr3+ions doped CuInSe2 thin film shows very low charge transfer resistance, so it has high conductivity. Photoelectrochemical activity confirmed that 3 mol percent Cr3+ion doped CuInSe2 had superior photocurrent responsibility among them. It was observed from CV analysis that the optimized 3 mol percent of Cr3+ions doped CuInSe2 possessed greater electrocatalytic performance towards the reduction of I3-. The Raman spectrum of single crystallized CuInSe2 thin films shows that A1 dominates mode at174 cm-1. The Raman spectral studies confirmed that only the ternary phase of CuInSe2. Solar light irradiation with an intensity of 100 mW/cm2 on 3 mol% Cr3+ doped CuInSe2 thin film cell resulted in a power conversion efficiency of 8.23%.

Combustion simulations of scramjet combustor using reduced mechanism of surrogate fuel for regenerative cooling pyrolysis products

Taking the surrogate fuel (64% ethylene and 36% methane in mole percentage) for regenerative cooling pyrolysis products used in HIFiRE-2 scramjet combustor as an example, present work systematically explores the workflow of the integrated mechanism reduction for surrogate fuel of pyrolysis products, the kinetic performance verification of the preferred reduced mechanism, and the combustion simulation application of the reduced mechanism in scramjet combustor. A static integrated reduction strategy is performed to obtain reduced mechanism for the surrogate fuel with the NUIGMech1.2 as detailed mechanism under wide conditions for temperature range of 900 - 1800 K, pressure range of 1 - 4 atm, and equivalence ratio range of 0.25 - 5.0. A reduced mechanism (34 species and 181 reactions)with remarkably reduced size is obtained, which presents favorable performance incomprehensive kinetic validations. With this compact and high-fidelity reduced mechanism, the combustion simulations for the scramjet combustor are carried out combining with tabulation of dynamic adaptive chemistry for run-time speed-up. The simulation results of static pressure profiles obtained for cold and hot states match well with the experimental measurements for the two conditions with flight Mach number of 5.84 and 6.50. Meanwhile, the flow and combustion characteristics of the two conditions are investigated based on simulation results. The integrated reduction strategy and systematic kinetic verification used in present work provide reference values for the application of more complex surrogate fuel mechanisms in scramjet combustor combustion simulation.

Hydrogen storage efficiency of Fe doped carbon nanotubes: molecular simulation study.

Given that adsorption is widely regarded as a favorable technique for hydrogen storage, it is appropriate to pursue the development of suitable adsorbent materials for industrial storage. This study aimed to assess the potential of Fe-doped carbon nanotubes (FeCNT) as a remarkable material for hydrogen storage. The structures of pure and Fe-doped CNTs were optimized based on quantum mechanical calculations using density functional theory (DFT) with the Perdew-Burke-Ernzerhof (PBE) method. To gain a comprehensive understanding of the adsorption behavior, Monte Carlo simulation was employed to investigate the adsorption of hydrogen molecules on FeCNT. The study specifically examined the impact of temperature, pressure, and hydrogen mole percentage on the adsorption capacity of FeCNT. The findings indicated that the uptake of hydrogen increased as the pressure increased, and when the pressure exceeded 5 MPa, FeCNT reached a state of near saturation. At room temperature and pressures of 1 and 5 MPa, the hydrogen capacities of FeCNT were determined to be 1.53 and 6.92 wt%, respectively. The radial distribution function diagrams confirmed the formation of a one-layer adsorption phase at pressures below 5 MPa. A comparison of the temperature dependence of hydrogen adsorption between FeCNT and pure CNT confirmed the effectiveness of Fe doping in hydrogen storage up to room temperature. FeCNT exhibited a greater reduction in initial hydrogen capacity at temperatures above room temperature. To evaluate the safety of the system, the use of N2 as a dilution agent was investigated by examining the hydrogen uptake of FeCNT from pure and H2/N2 mixtures at 300 K. The results showed that the addition of N2 to the environment had no significant effect on FeCNT hydrogen storage at pressures below 4 MPa. Furthermore, the study of H2 selectivity from the H2/N2 mixture indicated that FeCNT demonstrated a preference for adsorbing H2 over a wide range of bulk mole fractions at pressures of 4 and 5 MPa, suggesting that these pressures could be considered optimal. Under these conditions, Fe doping can offer an efficient and selective adsorption surface for hydrogen storage.

A bioinspired pseudopeptide-based intracellular delivery platform enhances the cytotoxicity of a ribosome-inactivating protein through multiple death pathways.

Saporin is a 28 621 Da protein and plant toxin possessing rRNA N-glycosidase activity. Due to its potent ribosome-inactivating ability, saporin is commonly studied as an anticancer agent. However, its enzymatic activity is greatly hindered by its poor plasma membrane permeability. To overcome this barrier, we used a bioinspired intracellular delivery platform based on the pH-responsive pseudopeptide, poly(L-lysine isophthalamide) grafted with L-phenylalanine at a stoichiometric molar percentage of 50% (PP50). PP50 was co-incubated with saporin (PP50/saporin) in a mildly acidic pH environment to aid intracellular delivery and increase saporin's therapeutic potential. We demonstrated that PP50 greatly enhanced the cytotoxicity of saporin in the 2D monolayer of A549 cells and 3D A549 multicellular spheroids whilst remaining non-toxic when administered alone. To elucidate the mechanism of cell death, we assessed the activation of caspases, the inhibition of protein synthesis, the onset of apoptosis and the mechanism of PP50/saporin entry. Inhibition of protein synthesis and activation of caspases 3/7, 8 and 9 were found to occur before the onset of apoptosis and cell death. PP50/saporin was also shown to rely on micropinocytosis and caveolae-mediated endocytosis for cell entry. In addition, fluorescein isothiocyanate-labelled saporin (FITC-saporin) was localized within the cytoplasm and nuclei when delivered with Cyanine5-labelled PP50 (Cy5-PP50). Taken together, this suggests that multiple pathways are triggered to initiate apoptosis and cell death in cells treated with PP50/saporin. Therefore, these results make PP50 a potential intracellular delivery platform for the internalization of protein therapeutics.

Synthesis of Hydrogel Based on Poly (Acrylic Acid–Co‐Vinyl Acetate) Grafted on Modified Recycled Cellulose for Use in Fertilizer Slow‐Release System

The aim of this work is a synthesis of suitable hydrogel to produce slow‐release fertilizer using recycled cellulose which is obtained from waste paper. For this purpose, initially, we extracted alpha cellulose from waste paper and modified it to obtain carboxymethyl cellulose (CMC). Then, the CMC was converted to a suitable hydrogel through in situ graft copolymerization of acrylic acid and vinyl acetate in the presence of methylene bisacrylamide as a crosslinker. The various factors that affect hydrogel synthesis, such as the amounts of CMC, monomers, initiator, and crosslinker, were evaluated. In the optimized formulation, the weight ratio of monomers to CMC is 7, the molar ratio of monomers to each other is 1, and the crosslinker is used as 3 molar percent of monomers. The products were characterized using Fourier transform infrared, thermal gravimetric analysis, and scanning electron microscope analyses. The swelling behavior of the synthesized hydrogels was evaluated in different environments, such as distilled water, tap water, salt water, and different pH levels. The swelling ratio increases with an increase in pH level. Between the synthesized hydrogels, the best one was selected for slow‐release fertilizer production and loaded with 20‐20‐20 fertilizer (NPK), and the release behavior was evaluated. In an alkaline pH, there was a long time for NPK release within a slow‐release medium and even after 361 h, the release process was continued. Also, the performance of the fertilizer‐loaded hydrogel in soil using water holding capacity and water retention ratio tests were evaluated.

Magnetically separable Pd-iron-oxides composites as highly efficient and recyclable catalysts for ultra-rapid degradation and debromination of polybrominated diphenyl ethers

When precious nano-metals are used as environmental catalysts, it is important to tune the particle sizes and the reusability of the nano-metals for achieving their highly efficient catalytic performance at a low cost. In the present work, magnetic iron oxides (FeOx-Y) nanoparticles were pre-prepared as supports of nano-metals, where Y represented the mole percentage of Fe(III) in the total iron (Y ≥ 50 %). FeOx-Y (support), PdCl42− (Pd source) and NaBH4 (reducing agent) were added into the organic pollutant solution containing 2,2′,4,4′-tetrabromodiphenyl ether (BDE47). After the NaBH4 was added, the followed reaction realized not only the rapid in-situ preparation of a Pd-loaded FeOx-Y composite catalyst (Pd-FeOx-Y), but also the ultra-fast and complete debromination of BDE47 within 30 s. Comparing the case without adding FeOx-Y, the debromination efficiency of BDE47 was much promoted in the presence of FeOx-Y. The support-induced enhancing effect on the catalytic ability of Pd nanoparticles was improved by increasing the Fe(III) content in the support, being attributed to the much more hydroxyl groups on the support surface. Considering both the catalytic and recovery abilities of Pd-FeOx-Y, Pd-FeOx-75 was the optimal choice because it could be magnetically recovered and re-used for multiple cycles with high catalytic activities. The presently developed “catalyst preparation-pollutant degradation” one-pot system could be applied to conduct complete debromination of all the PBDEs.

Ion-irradiation response in the mechanical properties and structure of a boron-doping iron phosphate glass

We investigated the irradiation effects of a ternary 36Fe2O3−10B2O3–54P2O5 glass (in molar percent; denoted as “10B”) which has been deemed as an advanced candidate for high-level nuclear waste in recent years. The mechanical property changes upon 5.0 MeV Xe20+-ion irradiation were studied by nanoindentation, and the structural response was studied by grazing-incidence X-ray diffractometer (GIXRD) and Fourier-transform infrared microspectroscopy (μFTIR). Both hardness and Young's modulus decreased after irradiation, and the saturated variations (–24 % for hardness and –5 % for modulus) are lower than those of international simplified glass (ISG). The 10B glass also manifests an extended lifespan over ISG in terms of mechanical durability. The GIXRD confirms that the sample remains amorphous even irradiated after the maximum dose, while the μFTIR-derived structure changes suggest a depolymerized P-network, a P–B demixture, and a decreased boron coordination number, which should be the main cause of the mentioned mechanical property changes.

Design of Novel Photoactive Modified Titanium Silicalites and Their Application for Venlafaxine Degradation under Simulated Solar Irradiation

Titanium silicalites (TS) are well‐known materials for their use in industrial oxidation reactions, and although they are used as photocatalysts, their activity is limited. Therefore, numerous synthetic strategies are investigated to improve their photocatalytic activity. Herein, three series of modified titanium silicalites are synthesized using three different organotriethoxysilanes at different molar percentages with the aim of modifying the structure of the zeolite, both at a porous and chemical level, to obtain materials with high photocatalytic activity. The study of their morphological, textural, chemical, and UV–vis light absorption properties through various characterization techniques has allowed the selection of the best candidates to test their photoactivity in the degradation of venlafaxine, an antidepressant drug that persists as a contaminant in wastewater and has serious neurotoxic effects. Materials synthesized using a 5% molar percentage of RTEOS and 10% of PhTEOS (Ph = phenyl) are able to degrade venlafaxine, whereas the reference material does not show any photocatalytic activity. These results lead the way to use this synthetic strategy to develop titanium silicates and optimize their photocatalytic activity in degradation reactions of different pollutants.