Binary Mixtures Research Articles

Phytotoxicity of single and mixed rare earth element (La, Nd and Sm) exposures on Lactuca sativa seed germination and growth.

The mode of action, bioaccumulation potential and toxicity of Rare Earth Elements (REE), with several applications in the technology, medical and agricultural fields, are still understudied. The nitrates acute effects on single exposures, binary and ternary mixtures of lanthanum (La), neodymium (Nd) and samarium (Sm) on Lactuca sativa lettuce seed germination and wet biomass in an artificial soil (AS) and an Ultisol were assessed. Germination (EC50), wet biomass (IC50) and germination inhibition (% GI) were evaluated. EC50 values show La was the most toxic in Ultisol, Sm in AS, and Nd appears with intermediate values on both substrates. The IC50, both single and mixed, decreased from 3- to 181-fold with increasing test concentrations in relation to the control in AS, while increases in Ultisol were observed, followed by decreases at higher doses which may be associated with the low-dose stimulation effect (hormesis). Our findings may be used to subsidize REE risk assessment studies and reinforce the hormesis effect to prevent the use of high application of REE fertilizers, avoiding the accumulation of REE in agricultural soils.

Synergistic C2H2 Binding Sites in Hydrogen‐Bonded Supramolecular Framework for One‐Step C2H4 Purification from Ternary C2 Mixture

AbstractPurification of C2H4 from the ternary C2 hydrocarbon mixture in one step is of critical significance but still extremely challenging according to its intermediate physical properties between C2H6 and C2H2. Hydrogen‐bonded organic frameworks (HOFs) stabilized by supramolecular interactions are emerging as a new kind of adsorbents that facilitate green separation. However, it remains a problem to efficiently realize the one‐step C2H4 purification from C2H6/C2H4/C2H2 mixture because of the low C2H2/C2H4 selectivity. We herein report a robust microporous HOF (termed as HOF‐TDCPB) with dense O atoms and aromatic rings distributed on the pore surface which provide C2H6 and C2H2 preferred environment simultaneously. Dynamic breakthrough experiments indicate that HOF‐TDCPB can not only obtain high‐purity C2H4 from binary C2 mixture, but also firstly realize one‐step C2H4 purification from ternary C2H6/C2H4/C2H2 mixture, with the C2H4 productivity of 3.2 L/kg (>99.999 %) for one breakthrough cycle. Furthermore, HOF‐TDCPB displays outstanding stability in air, organic solvents and water, which endow it excellent cycle performance even under high‐humidity conditions. Theoretical calculations indicate that multiple O sites on pore channels can create synergistic binding sites for C2H2, thus affording overall stronger multipoint interactions.

Adsorption behavior of cationic dyes on starch nanocrystals: Kinetic, isotherm, and thermodynamic insights from single to multi-component systems

The adsorptive potential of starch nanocrystals (SNCs) was evaluated for the elimination of methylene blue (MB), crystal violet (CV), and malachite green (MG) from aqueous media in single, binary, and ternary dye systems using batch mode experiments. SNCs were extracted using mild acid hydrolysis to remove the amorphous parts of native granular starch, and they were characterized using different physicochemical methods, such as FESEM, XRD, FTIR, BET, TGA, and pHZPC. The results revealed that the optimal pH for dye removal in both single and mixed dye systems was found to be 9.0. The equilibrium time increased from 5 to 20 min when the system was changed from single to binary, and then further increased to 30 min when the system was changed to ternary. The equilibrium data for single-dye systems exhibited a good fit with the Langmuir isotherm model (R2 > 0.98, SEE <3.52 mg g−1), whereas for binary and ternary dye mixtures, the extended Langmuir model provided an accurate representation of the experimental data (R2 > 0.99, SEE <1.33 mg g−1). Among the single, binary, and ternary systems, the highest adsorption capacities were observed for MB, MB in the (MB + MG) binary system, and MB in the (MB + CV + MG) ternary system. The respective adsorption capacities were recorded as 79.55 mg g−1, 61.91 mg g−1, and 43.59 mg g−1. The adsorption of dyes onto the SNCs was inherently spontaneous and endothermic, and adhered to the pseudo-second-order kinetic model in single dye systems as well as mixed dye systems. It can be concluded that the SNCs are capable of being utilized for five consecutive cycles in the adsorption-desorption process for single dye systems and three consecutive cycles for mixed dye systems. This suggests that the SNCs have potential as a sustainable and efficient option for dye removal in mixture systems.

Two-stage assembly of patchy ellipses: From bent-core particles to liquid crystal analogs.

We investigate the two-dimensional behavior of colloidal patchy ellipsoids specifically designed to follow a two-step assembly process from the monomer state to mesoscopic liquid-crystal phases via the formation of the so-called bent-core units at the intermediate stage. Our model comprises a binary mixture of ellipses interacting via the Gay-Berne potential and decorated by surface patches, with the binary components being mirror-image variants of each other-referred to as left-handed and right-handed ellipses according to the position of their patches. The surface patches are designed so as in the first stage of the assembly the monomers form bent-cores units, i.e., V-shaped dimers with a specific bent angle. The Gay-Berne interactions, which act between the ellipses, drive the dimers to subsequently form the characteristic phase observed in bent-core liquid crystals. We numerically investigate-by means of both Molecular Dynamics and Monte Carlo simulations-the described two-step process: we first optimize a target bent-core unit and then fully characterize its state diagram in temperature and density, defining the regions where the different liquid crystalline phases dominate.

Thermodynamic and spectroscopic analyses of N-Methyl benzylamine-isomeric amyl alcohol binary mixtures: Jouyban-Acree model correlation and experimental validation

ABSTRACT Excess molar volume, excess isentropic compressibility, deviation in viscosity, and excess Gibbs free energy of activation for viscous flow for binary mixtures of N-Methyl benzyl amine (NMBA) with 2-Methyl-2-butanol (2M2B), 2-Methyl-1-butanol (2M1B), and 3-Methyl-1-butanol (3M1B) were determined from measured densities (ρ), viscosities (η) and speeds of sound (u) at 303.15 K to 313.15 K. Influence Structural disparities on excess properties is discussed concerning intermolecular forces. The Prigogine – Flory – Patterson (PFP) theory identifies predominant molecular interactions, and the Jouyban – Acree model correlates density, speed of sound, and viscosity with composition. Thermodynamic activation parameters were calculated using the Eyring equation to study viscous flow thermodynamics. FT-IR and 1H NMR spectra of equimolar binary mixtures were analysed to confirm experimental findings through absorption bands (cm−1) and chemical shifts.

Preparation and performance study of modified diatomite based PCM for construction

Phase change energy storage technology provides a good solution to the spatial and temporal mismatch of energy use in buildings, but organic solid–liquid phase change materials suitable for the building sector limit their application due to leakage problems. To mitigate the effects of the above problems, diatomite (DME) is designed as the carrier for encapsulation in this experiment. Adsorption performance of DME is improved through double effects of 600°C high-temperature calcination and hydrochloric acid modification. The binary low eutectic mixture was prepared by co-melting of lauric acid (LA) and octadecyl alcohol (OD) with mass ratio of 70:30. Shape-stabilized composite phase change material (SSCPCM) was prepared by vacuum adsorption method with LA-OD and DME with a mass ratio of 35:65 and the melting temperature and latent heat of SSCPCM are 39.10°C and 54.02 J/g. It was experimentally evaluated that the surface impurities of modified DME under microscopic conditions were removed and LA-OD was uniformly embedded in the micropores of DME, and the prepared SSCPCM was able to maintain a thermal inertia of 39°C with good thermal properties and thermal stability, thus SSCPCM could be used as a building energy-saving material to reduce building energy consumption, in addition to expanding the utilization of inorganic mineral materials.

Study of Dielectric Properties of Binary Mixtures of n-Octanol and N,N-Dimethylformamide in Lower Microwave Radiation

Study of Dielectric Properties of Binary Mixtures of n-Octanol and N,N-Dimethylformamide in Lower Microwave Radiation

Domain growth kinetics in active binary mixtures.

We study motility-induced phase separation in symmetric and asymmetric active binary mixtures. We start with the coarse-grained run-and-tumble bacterial model that provides evolution equations for the density fields ρi(r⃗,t). Next, we study the phase separation dynamics by solving the evolution equations using the Euler discretization technique. We characterize the morphology of domains by calculating the equal-time correlation function C(r, t) and the structure factor S(k, t), both of which show dynamical scaling. The form of the scaling functions depends on the mixture composition and the relative activity of the species, Δ. For k → ∞, S(k, t) follows Porod's law: S(k, t) ∼ k-(d+1) and the average domain size L(t) shows a diffusive growth as L(t) ∼ t1/3 for all mixtures.

CO2 gas-liquid equilibrium study and machine learning analysis in MEA-DMEA blended amine solutions

The combination of primary and tertiary amines represents a promising approach to improve sorbent performance in CO2 capture by enhancing absorption efficiency and reducing regeneration energy. This study focuses on investigating the absorption performance of binary mixtures of ethanolamine (MEA) and N,N-dimethylethanolamine (DMEA) at temperatures between 298–323 K and CO2 partial pressures between 5–60 kPa. The species generated during the absorption were analyzed using 13C NMR spectroscopy, to clarify the intricate role of MEA and DMEA in the capture process. A developed excess property model for MEA-DMEA, based on excess CO2 loading, predicted equilibrium CO2 solubility data with an average absolute relative deviation (AARD) of 1.6 %. Additionally, the machine learning models XGBoost, RBFNN, and SVR were applied, providing AARD values between 0.86 % and 1.28 %, demonstrating strong agreement between experimental and predicted outcomes. These comprehensive findings enhance our understanding of mixed amines’ mechanisms and practical applications, contributing to ongoing research development.

Efficient synthesis of cellulose acetate through one-step homogeneous acetylation of cotton cellulose in binary ionic liquids

Cellulose acetate (CA) is an important cellulose derivative with a wide range of applications. To adopt a more efficient and environmentally friendly method to synthesize cellulose acetate, a binary ionic liquid mixture of 1-butyl-3-methylimidazole chloride salt (BmimCl) and 1-butyl-3-methyldihydroimidazole phosphate (BmimH2PO4) was used. Compared to the conventional methods, this approach didn't require pre-activation of cellulose and the process of homogeneous acetylation proceeded without a catalyst. By simply adjusting the reaction conditions, cellulose acetate with a degree of substitution (DS) in the range of 0.83–3.0 was produced by one-step homogeneous acetylation without hydrolysis. Furthermore, the cellulose acetate film produced by solvent casting exhibited smooth surface characteristics, 95 % transparency, and 57.9 MPa tensile strength. Therefore, this study highlights the importance of using binary ionic liquid mixtures for facile synthesis of cellulose acetate. Due to their excellent transparency and mechanical properties, newly synthesized cellulose acetate films could replace commercial films.

Shape effects in binary mixtures of PA12 powder in additive manufacturing

The quality of powder spread in additive manufacturing devices depends sensitively on particle shapes. Here, we study powder spreading for mixtures of spherical and irregularly shaped particles in Polyamide 12 powders. Using DEM simulations, including heat transfer, we find that spherical particles exhibit better flowability. Thus, the particles are deposited far ahead of the spreading blade. In contrast, a large fraction of non-spherical particles hinders the flow. Therefore, the cold particles are deposited near the front of the spreading blade. This results in a temperature drop of the deposited particles near the substrate, which cannot be seen with spherical particles. The particles of both shapes are homogeneously distributed in the deposited powder layer.

Assessment of Neurotoxic Mechanisms of Individual and Binary Mixtures of Cobalt, Nickel and Lead in Hippocampal Neuronal Cells.

Many studies have focused on the neurotoxic effects of single metals, while investigation on the exposure to metal mixtures, which mainly occur in real-life situations, is scarce. This study sought to assess the neurotoxic effect of Ni, Co, and Pb binary mixtures and their individual effects in hippocampal neuronal cells (HT-22). Cells were exposed to Ni, Co, and Pb separately for 48 h at 37°C and 5% CO2, and cell viability was assessed. Morphological assessment of the cells exposed to binary mixtures of Co, Ni, and Pb and single metals was assessed using a microscope. Furthermore, acetylcholinesterase (AChE) activity, oxidative stress biomarkers (glutathione [GSH] and malondialdehyde [MDA] levels, catalase [CAT], and glutathione-S transferase [GST] activities) and nitric oxide [NO] levels were evaluated after treatment with the binary mixtures and single metals. Binary mixtures of the metals reduced cell viability, exerting an additivity action. The combinations also exerted synergistic action, as revealed by the combination index. Furthermore, a significant reduction in AChE activity, GSH levels, CAT and GST activities, and high MDA and NO levels were observed in neuronal cells. The additive interactions and synergistic actions of the binary mixtures might contribute to the significant reduction of AChE activity, GSH levels, GST, and CAT activities, and an increase in MDA and NO levels. The findings from this study revealed significant evidence that binary mixtures of Co, Pb, and Ni may induce impaired neuronal function and, ultimately, neurodegeneration.

Binary imidazolium based aqueous ionic liquid droplet on a rough surface: a molecular dynamics study

Ionic liquids (ILs) have garnered immense attention due to their tunable physicochemical properties. In this study, we delve into the wetting behaviour and interfacial properties of aqueous binary IL mixtures containing [EMIM] [BF4] and [HMIM] [BF4] on both smooth and rough graphite surfaces. Employing classical molecular dynamics simulations, we systematically explored the effects of IL concentration and surface morphology on wetting phenomena. To ensure the equilibrium of the systems, we began by calculating the interaction energies between the components. Subsequently, contact angles were computed, shedding light on the wetting characteristics of the aqueous binary IL mixtures. We meticulously examined the density profiles of the IL systems from the substrate to unravel the dominance of one IL over the other, exploiting the hydrophilic nature of [EMIM] [BF4] and the hydrophobic nature of [HMIM] [BF4]. A comprehensive analysis of hydrogen bond distribution allowed us to discern the intricate nature of these aqueous binary IL droplets. We probed the changes in intermolecular forces within the aqueous IL solution by investigating surface tensions. The tunability of these ILs emerges as a significant aspect of our study, paving the way for their tailored application in engineering and scientific domains. Schematic diagram showing the density distribution of hydrophilic and hydrophobic ILs ([EMIM] [BF4] and [HMIM] [BF4]) in water and also the hydrogen bond (HB) distribution of anion ([BF4]−) water inside the droplet on a pillared surface with a surface fraction ( f ) of 0.4 and pillar height of H = 4 .

Theoretical exploration of binary mixtures derived from hydrogen bond liquid crystalline soft materials for optical device fabrication

Binary mixtures are obtained from 4-Nitrobenzaldehyde (NBA), 4-(heptyloxy)benzoic acid (7OBA) and 4-(octyloxy)benzoic acid (8OBA) abbreviated as NBA + 7OBA and NBA + 8OBA. Density Functional Theory (DFT) is used to optimize the resultant molecular structures. HOMO–LUMO and NBO analysis are adapted in obtaining the charge transfer phenomenon of the binaries. Molecular electrostatic Potential (MEP) analysis reveals the active sites of liquid crystals. Atomic charge distribution of the binary mixture is investigated theoretically. Topological analysis is carried out to understand the intermolecular interaction between non mesogenic NBA and mesogenic precursors along with nonlinear optical properties. The results obtained are correlated with the experimental data obtained.

Oxidation mechanism of sulfur-containing compounds and antioxidant depletion dynamics: Insights into interactions

Sulfur-containing compounds (SCCs) are the most abundant heteroatomic organic species (HOS) in petroleum fuels. This study investigates the dynamics of SCCs in surrogate fuel systems, focusing on their oxidation stability, reactivity, and interactions. An analysis of eleven selected SCCs, spanning both reactive (thiols, sulfides, and disulfides) and nonreactive (thiophenes and benzothiazole) species, was conducted at 140 °C. The investigation delves into reaction and degradation mechanisms, exploring resulting products, binary mixtures of reactive SCCs for potential interactions, and multicomponent SCC systems to understand nuanced interaction. Findings reveal unique reaction pathways in single-component SCCs, synergetic and antagonistic effects in binary mixtures, and substantial decreases in reaction rates in all multicomponent systems. Moreover, SCCs expedited antioxidant consumption, highlighting their pivotal role in fuel stability and degradation. The study contributes valuable insights into SCC dynamics, advocating further exploration of HOS’s interactions for enhanced fuel formulation and stability testing strategies.

Biosorption of Reactive Yellow 145 and Direct Blue 86 binary dye mixture by Ulocladium chartarum

Biosorption of Reactive Yellow 145 and Direct Blue 86 binary dye mixture by Ulocladium chartarum

Excess Thermodynamic Properties and FTIR Studies of Binary Mixtures of Toluene with 2-Propanol or 2-Methyl-1-Propanol

Physical properties of the binary solutions, toluene with 2-propanol and 2-methyl-1-propanol, were measured at T = 293.15, 298.15, 303.15, 308.15, and 313.15 K and P = 100 kPa. The experimental density values were tested with the Emmerling et al. and Gonzalez-Olmos–Iglesias equations. The results indicate that the equation by Emmerling et al. is the best to correlate the density for toluene + 2-methyl-1-propanol system, while for toluene + 2-propanol, both proposed equations are proper to correlate the density with composition and temperature. The viscosity results were verified with different models containing two adjustable parameters. The values of viscosity deviation (∆η), excess molar volume (VE), excess Gibbs energy (ΔG*E), partial molar volumes (V1¯ and V2¯), and apparent molar volume (Vφ,1 and Vφ,2) were calculated. The values of the excess molar volume were positive for both systems, while negative values were obtained for the viscosity deviation and the excess Gibbs energy. The excess properties of the mixtures were adjusted to the Redlich–Kister equation. The values of thermodynamic functions of activation of viscous flow were computed and analyzed. Additionally, the Prigogine–Flory–Patterson (PFP) theory was applied to calculate VE and then compared with experimental values. The values of the percentage absolute average deviation obtained suggest the validity of this theory. The Fourier transform infrared spectroscopy (FTIR) spectra of the binary solutions studied in this work allowed for the understanding of the interactions between the molecules of these systems.

Thermal conductivity measurements of liquid ethane and ethane + propane binary mixtures

Based on the transient hot-wire apparatus, the thermal conductivity of ethane was measured in the temperature range of 146–247 K and pressure < 14 MPa in the liquid phase. The thermal conductivity of ethane + propane binary mixture was measured in the temperature range of 156–288 K and pressure < 25 MPa in the liquid phase. The mole fractions of ethane in binary systems are 0.198, 0.525, and 0.736. The deviation between experimental results and REFPROP calculation falls within 3 % of ethane and mixture. Subsequently, the previous established thermal conductivity model, derived from dimensional analysis, was employed to predict the thermal conductivity of n-alkanes mixture. The mixture critical parameters were obtained first by the mixing rules, and the thermal conductivity of the mixture were calculated. Comparisons were made between the experimental data of ethane and the previously constructed n-alkane model, resulting in an average absolute relative deviation (AARD) of 4.42 %. Similarly, the experimental data of the ethane + propane mixture was compared with the mixture prediction model proposed in this study, yielding an AARD of 1.92 %. The relative deviation between experimental data and model calculations demonstrates good consistency.

Heavy metal accumulation and interaction dynamics in Brachidontes pharaonis: a bioindicator study in the Red Sea.

This work evaluates utilizing the native mussel Brachidontes pharaonis as a bioindicator and sentinel organism for monitoring heavy metals Cu, Zn, and Cd along the Red Sea coast of Egypt. Samples were collected from four coastal locations, and the concentrations of heavy metals in the mussels' tissues, shells, seawater, and sediments were analyzed. Subsequently, bioassay experiments were conducted by exposing the organisms to single, binary, and tertiary metal mixtures, and the accumulation of heavy metals was determined to elucidate the dynamics of metal-metal interactions. Field samples revealed significant variations in heavy metal concentrations in the mussels' soft tissues across different locations, with Zn ranging from 58.1 to 121.0µg/g dw (dry weight), Cu ranging between 18.3 and 36.7µg/g dw, and Cd ranging from 0.3 to 1.04µg/g dw. Conversely, the shells exhibited minimal spatial variations, with much lower contents of Cu (ranging from 1.9 to 2.8µg/g dw) and Zn (ranging from 1.8 to 1.9µg/g dw). However, the shells accumulated Cd at higher levels (ranging from 1.4 to 2.1µg/g dw) compared to the soft tissues. Following a 96-h bioassay experiment, the soft tissues displayed a linear accumulation of metals with increasing exposure dose, with Cd showing the highest accumulation rate (approximately threefold) followed by Zn (twofold) and Cu (1.7-fold). In binary and tertiary exposures, the metals exhibited a general antagonistic interaction, affecting each other's accumulation. On the other hand, the accumulation of heavy metals in the shells after the 96-h bioassay exposure did not follow a consistent linear pattern, suggesting that accumulation during this short experimental period occurs primarily through adsorption rather than the biological pathway.

Analysis of binary mixture of oxytetracycline and bromohexine in their combined veterinary formulation by four simple spectrophotometric methods with greenness assessment

Tetracyclines family is considered as the first-line antibiotic drugs for food animals. Formulating bromhexine (BR) with oxytetracycline (OTC) improved the antibacterial activity of OTC, besides it is considered as a mucolytic agent. Four precise, rapid, and simple spectrophotometric methods were successfully developed for resolution of the overlapped spectra of OTC and BR in their pure form and in their pharmaceutical formulation. The proposed methods are absorption correction (AC), dual wavelength (DW), induced dual wavelength (IDW), and spectrum subtraction (SS) spectrophotometric methods. The developed methods were used for the determination of OTC and BR in the ranges of 2–50 µg/mL and 1–30 µg/mL, respectively for all methods. For (AC) and (SS) methods, OTC and BR were determined at 380 nm and 245.6 nm, respectively after spectral resolution steps. While for (DW) method, the absorbance difference between λ (271.8 –287.6 nm) and λ (245.6 –283.2 nm) were used for the determination of OTC and BR, in order. For IDW, it depended on using the absorbance difference between 271.8 nm and 245.6 nm as well as the equality factor (F) calculated for each drug at the selected wavelengths. In all methods, HCl was used as a solvent and they are validated according to ICH guidelines. Several green metric tools have been developed to evaluate the greenness of the analytical methods like National Environmental Methods Index (NEMI), Modified NEMI, Analytical Eco-scale, Green Analytical Procedure Index (GAPI) and Analytical GREEnness calculator (AGREE), and all ensured the low impact of the suggested approaches on health and environment. The proposed methods are highly selective, robust and precise. Additionally they are time and money effective and can be used in any analytical laboratory.