Journal of Solution Chemistry最新文献

Ciprofloxacin (CIPH) was classified as one of the most effective quinolone antibiotics, which is commonly used to cure a wide range of infections resulting from Gram-negative and Gram-positive microorganisms. The complexes which formed due to the interaction of Ni(II), Zn(II), Cu(II), Gd(III) and Sm(III) with ciprofloxacin were characterized by CHN% analysis, conductivity, FTIR, electronic spectra, fluorescence measurements, and magnetic susceptibility, besides studying the complex–DNA interaction. Meanwhile, the molar conductance values (0.001 mol·L⁻¹ in DMSO) revealed the electrolytic behavior of the complexes and could be designated with the A⁻B⁺ formula. In addition, the geometry of the compounds was confirmed from the electronic transitions as well as the μ_eff values as octahedral for all complexes. The postulated formula could be generally assigned as [M(CIP)_a(CIPH)_b(H₂O)_c](NO₃)(H₂O)_n(C₂H₅OH)_m. Moreover, the interaction between metal complexes and DNA revealed that the Cu complex had the highest binding constant. Nanotechnology was applied to synthesized compounds using silica nanoparticles (SiNPs), which were prepared using a sol–gel process. The silica nanoparticles were chemically functionalized for binding the ligand and its metal complexes; this enables the as-prepared compounds to enhance their features as a drug delivery platform. Meanwhile, the antimicrobial activity was tested for the free complexes and SiNPs composites. Collectively, Sm complex gave the largest zone of inhibition, while the Cu(II)–SiNPs composite showed the strongest potential to reduce the bacterial activity. Furthermore, the fluorescence data of CIPH, ligand–metal mixture and the effect of silica nanoparticles on them were studied.

The use of experimental parameters to quantify solvent properties, for example in linear free energy relationships, is well established and several scales of solvent acidity, basicity and polarity/polarizability have been developed. The success of this approach raises questions of which molecular properties contribute to particular solvent parameters and whether these contributions are found in all parameters representing a particular solvent property. In the present study, Catalan’s hydrogen bond basicity and acidity parameters, SB and SA, and Gutmann’s acceptor number, AN, a measure of a solvent’s Lewis acidity, are correlated with molecular properties derived from computational chemistry. The results are compared with the results of similar correlations with Kamlet and Taft’s β and α Solvent Scales, Gutmann’s donor number DN) and Abraham’s B and A solute scales. The results show that measures of solvent basicity, SB, β and DN all correlate strongly with the partial charge on the most negative atom in the solvent molecule and the energy of the donor orbital and, in all cases, the parameter values for hydrogen-bonded solvents are anomalous. Abraham’s B, a measure of solute hydrogen basicity, depends only on the partial charge on the most negative atom and there is no anomaly in the values for solutes that, in the pure state, form hydrogen-bonded liquids. Similarly, all measures of solvent acidity, SA, α and AN, and Abraham’s A, a measure of solute hydrogen bond acidity, depend on the partial charge on the most positive hydrogen on the molecule.

Two novel hydrophobic deep eutectic solvents (HDESs), composed of alkyl (=Hexyl, Nonan) ethylenediaminium and menthol (Men), namely Hexen/Men and Nonen/Men, were synthesized. Hexen and Nonen primarily act as hydrogen bond acceptors, with Men serving as the principal hydrogen bond donor. After the formation of HDES, the IR absorption peaks of Hexen, Nonen's–NH₂, and Men–OH fused into a wider peak, the ¹H-NMR spectra of Men–OH, shifted to a lower field. Furthermore, a significant redshift approximately 300 cm⁻¹ was detected in the vibrational frequency of the Men–OH functional group when performing density functional theory (DFT) calculations for the HDESs. These results support the development of stronger O–H···N bonds between Hexen/Nonen–NH₂ and Men–OH, and the calculated sum of hydrogen bonding energy was approximately 56 mol·kg^–1, categorizing it as an intermediate-strength hydrogen bond. Both HDESs have ethylenediamine polar heads in their hydrogen bond acceptors, which have chelating characteristics that help them coordinate with transition metal ions. Metal ions such as Cu(II), Co(II), and Ni(II) were successfully extracted from aqueous solutions at a concentration of 10 mmol·L^–1using HDESs. The Cu(II) and Ni(II) extraction efficiencies exceeded 90%, indicating their effectiveness. Notably, even at higher metal ion concentrations (100 mmol·L^–1), the extraction efficiencies of all three metal ions remained consistently below 80%. This indicates that the HDESs can suitably collect trace metal ions.

In this work, thermodynamic properties of ternary (NaNO₃ + DMF + water) system were reported using the potentiometric method. The electromotive force measurements were performed on the galvanic cell of the type: ({text{NO}}_{{3}} {text{ - ISE}}left| {{text{NaNO}}_{{3}} left( m right),{text{DMF}}left( {w% } right),{text{H}}_{{2}} {text{O }}({1} - w)% } right|{text{Na - ISE}}), in various mixed solvent systems containing 0, 5, 10, 15 and 20% mass fractions of DMF over total ionic strengths from 0.0100 to 2.500 mol·kg⁻¹ at T =  (298.2, 303.2 and 308.2) K and P = 0.1 MPa. The experimental activity coefficients of NaNO₃ were analysed using extended Debye–Hückel equation, Pitzer ion interaction model and Scatchard equation. The Pitzer adjustable parameters were used to calculate (gamma_{ pm } ,varphi , , {{G^{{text{E}}} } mathord{left/ {vphantom {{G^{{text{E}}} } {n{text{R}}T}}} right. kern-0pt} {n{{R}}T}}, , {{H^{{text{E}}} } mathord{left/ {vphantom {{H^{{text{E}}} } {n{{R}}T}}} right. kern-0pt} {n{{R}}T}},{text{and}},{{S^{{text{E}}} } mathord{left/ {vphantom {{S^{{text{E}}} } {n{text{R}}}}} right. kern-0pt} {n{{R}}}}). Also, Scatchard parameters were used to calculate ({{{gamma_{N}^{{left( {2} right)}} } mathord{left/ {vphantom {{gamma_{N}^{{left( {2} right)}} } {gamma_{N}^{{left( {1} right)}} }}} right. kern-0pt} {gamma_{N}^{{left( {1} right)}} }}}) for the whole series of under investigation system.

Heavy water is an important industrial chemical for nuclear power generation from natural uranium, precursor for tritium, required for fusion power generation and an important chemical and biochemical tracer. Its separation from natural or synthetic D₂O–H₂O binary solutions is highly energy intensive. Therefore for development of chemical and physiochemical processes for its separation, physical properties of binary solutions of D₂O and H₂O are important. In this study, density, excess molar volume, refractive indices and related properties are reported for D₂O–H₂O binary solutions.

Graphical Abstract

The experimental measurement of density and enthalpy of mixture for two binary liquid mixtures of n-tridecane or n-tetradecane with decalin was reported in this paper. The measurements were conducted at a temperature range of 293.15–323.15 K and at 303.15 K using calorimeter C80. The mixtures were analyzed at various proportions, including the entire composition range and dilute solutions. The excess molar volume (V^E) and excess molar enthalpy (H^E) of mixtures were calculated and fitted using the Redlich–Kister equation. The paper observed the expansion phenomenon for the V^E at all temperatures, including over the entire composition range and dilute solutions. Additionally, the H^E exhibited endothermic behavior at the studied temperature range and composition range. The Prigogine–Flory–Patterson (PFP) theory was utilized to predict both thermodynamic properties, namely the V^E and H^E. The results obtained using the PFP theory were compared with those obtained using the Treszczanowicz and Benson association (TB) model for V^E and with the NRTL, Wilson, and Flory models for H^E. The PFP model, which employed a single-fitted parameter to describe V^E, demonstrated satisfactory performance in predicting V^E. Conversely, the Treszczanowicz and Benson association (TB) model yielded relatively poor results in fitting V^E. However, the NRTL, Wilson, PFP, and Flory models exhibited good performance in predicting H^E.

The solubility of 1,3,5-Tribromobenzene (m-TBB) in five kinds of binary solvent mixtures (i.e., N,N-dimethylformamide (DMF) + water, N,N-dimethylacetamide (DMA) + water, 1,4-dioxane + water, DMF + ethanol, and DMA + ethanol) was measured by a gravimetric method. The determination was carried out at temperatures ranging from 288.15 K to 323.15 K under ambient pressure. The solubility data were positively correlated with the molar fraction of good solvent and temperature. The order of solubility is 1,4-dioxane + water > DMA + ethanol > DMF + ethanol > DMA + water > DMF + water. The solubility of m-TBB was negatively correlated with solvent polarity. Four thermodynamic models (including the Jouyban–Acree–Apelblat, the Sun model, the NRTL model, and the Wilson model) were selected to correlate the solubility data of m-TBB. The solubility data are of great significance for solvent selection and yield judgment.

In this study, the saturated solubility of triethylamine hydrochloride (TEA·HCl) was determined using the static method in binary mixed solvents ((1-Butanol, dimethyl sulfoxide (DMSO), 1-Octanol) + dimethyl carbonate (DMC)) at temperatures ranging from 298.15 to 333.15 K and ambient pressure (p = 0.1 MPa). Quantum chemistry calculations were performed to analyze the dissolution process among different solvents. Results showed that the obtained solubility data correlated well with five equations. Evaluation of solubility data was carried out by mean Average Relative Deviation (ARD) and Root-Mean-Square Deviation (RMSD). The findings indicated that the modified Apelblat model demonstrated the strongest correlation among the five models. The ARD and 10⁴ RMSD were 1.39% and 2.61, respectively. Subsequently, the Gibbs energy, enthalpy, and entropy of TEA·HCl dissolved in each mixed solvent can be determined by applying van’t Hoff equations, revealing an endothermic and entropy-driven dissolution process. The experimental results indicated that the solubility of TEA·HCl in the selected binary solvents increased with the increasing temperature and decreased with the increasing molar fraction of DMC. The solubility sequence in various systems was explained in terms of the solvation free energy. The solubility values, model parameters, and thermodynamic properties of TEA·HCl in different mixed solvents can be obtained through experimentation, providing foundational support for its preparation, crystallization process, and further theoretical research.

In this research, the solubility of amlodipine besylate was studied in the propylene glycol + ethanol mixtures at different temperatures (293.2–313.2 K). The study showed that the solubility increases with an increase in propylene glycol concentration, reaching its highest point at w₁ = 0.8. Additionally, the solubility values have a positive correlation with temperature, which is typical for the solid solutes. The experimental solubility data were correlated with some well known cosolvency models and the accuracy of these models was investigated with the mean relative deviations (MRDs%) of the back-calculated data. MRDs were 1.2% for the van’t Hoff model, 4.3 and 4.6% for the Jouyban–Acree and Jouyban–Acree–van’t Hoff equations, 1.4% for the MRS model and 2.1% for the modified Wilson model. The apparent thermodynamic parameters (standard state Gibbs energy, enthalpy, and entropy) of dissolution of ADB in the non-aqueous saturated mixtures were also calculated with the van’t Hoff and Gibbs equations at T_hm = 303.0 K.