M. Melia Rodrigo

In this work, we propose a comprehensive experimental study of the diffusion of isoniazid, one of the first-line anti-tuberculosis drugs, in combination with another drug (ethambutol dihydrochloride) and with different cyclodextrins as carrier molecules, for facilitated transport and enhanced solubility. For that, ternary mutual diffusion coefficients measured by the Taylor dispersion method (D₁₁, D₂₂, D₁₂, and D₂₁) are determined for aqueous solutions containing isoniazid and different cyclodextrins (that is, α–CD, β–CD, and γ–CD) at 298.15 K. From the significant effect of the presence of these carbohydrates on the diffusion of this drug, interactions between these components are suggested. Support for this arose from models, which shows that these effects may be due to the formation of 1:1 (CDs:isoniazid) complexes.

The main objective of this work was to analyze the transport by diffusion of salts containing some metal ions (that is, CoCl₂, CrCl₃, HgCl₂, and PbCl₂), at 25.0 °C, in two different aqueous solutions with varying pH levels, namely, sodium chloride and hydrochloric chloride, by using Nernst–Hartley model equations. To analyze the applicability of this model, experimental data for two aqueous systems (CoCl₂ + NaCl) and (CoCl₂ + HCl), were obtained by using the Taylor technique and compared with the predicted values. The Nernst–Hartley model equations were used in this study to estimate the mutual diffusion coefficients of the eight ternary systems, which included (CoCl₂ + NaCl), (HgCl₂ + NaCl), (PbCl₂ + NaCl), (CrCl₃ + NaCl), and (CoCl₂ + HCl), (HgCl₂ + HCl), (PbCl₂ + HCl), and (CrCl₃ + HCl). By using the limiting equations of Nernst–Hartley coefficients, we were able to understand the composition dependence of the mutual diffusion coefficients of these mixed electrolyte solutions and the electrostatic mechanism for the strongly coupled diffusion of these components.

In this work, we propose a comprehensive experimental study of the diffusion of nickel ions in combination with different cyclodextrins as carrier molecules for enhanced solubility and facilitated transport. For this, ternary mutual diffusion coefficients measured by Taylor dispersion method are reported for aqueous solutions containing nickel salts and different cyclodextrins (that is, α-CD, β-CD, and γ-CD) at 298.15 K. A combination of Taylor dispersion and other methods, such as UV-vis spectroscopy, will be used to obtain complementary information on these systems. The determination of the physicochemical properties of these salts with CDs in aqueous solution provides information that allows us to understand solute–solvent interactions, and gives a significant contribution to understanding the mechanisms underlying diffusional transport in aqueous solutions, and, consequently, to mitigating the potential toxicity associated with these metal ions. For example, using mutual diffusion data, it is possible to estimate the number of moles of each ion transported per mole of the cyclodextrin driven by its own concentration gradient.

The influence of oligosaccharides (α-cyclodextrin, β-cyclodextrin and γ-cyclodextrin), and a polysaccharide, sodium hyaluronate (NaHy), on the diffusion of aqueous solutions of cobalt and chromium chlorides has been investigated. Cobalt and chromium are constituents of metal alloys for biomedical use, including dental prostheses. Thus, the release of these ions in the human body can lead to harmful biological effects. The interaction of metal ions with saccharides might have information on the role of mouthwashes in preventing these effects. This interaction has been assessed by measuring multicomponent intermolecular diffusion coefficients at 298.15 K. It has been found that β-cyclodextrin has the highest interaction towards cobalt and chromium ions. This work will contribute to unveiling the mechanisms responsible for transport by diffusion in aqueous solutions, and, therefore, mitigating the potential toxicity inherent to those metal ions.

The interaction between sodium salicylate (NaSal) and the two macrocycles 5,11,17,23-tetrakissulfonatomethylene-2,8,14,20-tetra(ethyl)resorcinarene (Na₄EtRA) and β-cyclodextrin (β-CD) has been studied by the determination of ternary mutual diffusion coefficients, and spectroscopic and computational techniques. The results obtained by the Job method suggest that the complex formation is given in a 1:1 ratio for all systems. The mutual diffusion coefficients and the computational experiments have shown that the β-CD-NaSal system presents an inclusion process, whereas the Na₄EtRA-NaSal system forms an outer-side complex. This fact is also in line with the results obtained from the computational experiments, where the calculated solvation free energy has been found to be more negative for the Na₄EtRA-NaSal complex because of the partial entry of the drug inside the Na₄EtRA cavity.

In this study, diffusion coefficients of ammonium vanadate at tracer concentrations in artificial saliva with and without sodium fluoride, at different pH values, were measured using an experimental model based on the Taylor dispersion technique. Ternary mutual diffusion coefficients (D₁₁, D₂₂, D₁₂, and D₂₁) for four aqueous systems {NH₄VO₃ (component 1) + β-cyclodextrin (β-CD) (component 2),} {NH₄VO₃ (component 1) + β-cyclodextrin (HP-β-CD) (component 2)}, {NH₄VO₃ (component 1) + sodium dodecyl sulphate (SDS) (component 2)} and {NH₄VO₃ (component 1) + sodium hyaluronate (NaHy) (component 2)} at 25.00 °C were also measured by using the same technique. These data showed that diffusion of ammonium vanadate was strongly affected in all aqueous media studied. Furthermore, a significant coupled diffusion of this salt and β-CD was observed through the non-zero values of the cross-diffusion coefficients, D₁₂, allowing us to conclude that there is a strong interaction between these two components. This finding is very promising considering the removal, from the oral cavity, of vanadium resulting from tribocorrosion of Ti-6Al-4V prosthetic devices.

The formation of complexes of the drug 5-fluorouracil (5-FU) with β-cyclodextrin (β-CD) and sodium dodecyl sulphate (SDS) was studied through experimental measurements of the ternary mutual diffusion coefficients (D₁₁, D₂₂, D₁₂, and D₂₁) for the systems {5-FU (component 1) + β-CD (component 2) + water} and {5-FU (component 1) + SDS (component 2) + water} at 298.15 K and at concentrations up to 0.05 mol dm⁻³ by using the Taylor dispersion method, with the objective of removing this polluting drug from the residual systems in which it was present. The results found showed that a coupled diffusion of 5-FU occurred with both β-CD and SDS, as indicated by the nonzero values of the cross-diffusion coefficients, D₁₂ and D₂₁, as a consequence of the complex formation between 5-FU and the β-CD or SDS species. That is, 5-FU was solubilized (encapsulated) by both carriers, although to a greater extent with SDS (K = 20.0 (±0.5) mol⁻¹ dm³) than with β-CD (K = 10.0 (±0.5) mol⁻¹ dm³). Values of 0.107 and 0.190 were determined for the maximum fraction of 5-FU solubilized with β-CD and SDS (at concentrations above its CMC), respectively. This meant that SDS was more efficient at encapsulating and thus removing the 5-FU drug.

Due to the diseases that people face today, scientists dedicate a part of their research to the synthesis, characterization, and study of functional compounds for controlled drug delivery. On the one hand, resorcinarenes are macrocycles obtained by condensation reactions of resorcinol and aldehyde. They include an upper and a lower rim functioning with different groups that confer solubility to the macrocycle and favor interactions with other compounds, therefore the hydroxyl groups on the upper rim improve the formation of hydrogen bonds. Additionally, resorcinarenes feature a cavity studied for forming host-guest complexes. SBA-15, on the other hand, is a mesoporous silica characterized by ordered pores in its structure and a large surface area. As a result of its properties, it has been used for several purposes, including absorbents, drug delivery, catalysis, and environmental processes. This review shows the recent advances in synthesis methods, characterization, micelle formation, interaction with other compounds, and host-guest procedures, as well as techniques for evaluating toxicity, drug retention, and their preliminary uses in pharmacology for macrocycles, such as resorcin[4]arenes and SBA-15.

Metal ions such as cobalt (II) and chromium (III) might be present in the oral cavity, as a consequence of the corrosion of Co-Cr dental alloys. The diffusion of such metal ions into the organism, carried by saliva, can cause health problems as a consequence of their toxicity, enhanced by a cumulative effect in the body. The effect of the chlorhexidine digluconate, which is commonly used in mouthwash formulations, on the transport of these salts is evaluated in this paper by using the Taylor dispersion technique, which will allow an assessment of how the presence of chlorhexidine digluconate (either in aqueous solution or in a commercial formulation) may affect the diffusion of metal ions. The ternary mutual diffusion coefficients of metal ions (Co and Cr) in the presence of chlorhexidine digluconate, in an artificial saliva media, were measured. Significant coupled diffusion of CoCl₂ (and CrCl₃) and chlorhexidine digluconate is observed by analysis of the non-zero values of the cross-diffusion coefficients, D₁₂ and D₂₁. The observed interactions between metal ions and chlorhexidine digluconate suggest that the latter might be considered as an advantageous therapeutic agent, once they contribute to the reduction of the concentration of those ions inside the mouth.

Mutual diffusion coefficients of chloroquine diphosphate (CDP) in aqueous solutions both without and with β-cyclodextrin (β-CD) were measured at concentrations from (0.0000 to 0.0100) mol dm⁻³ and 298.15 K, using the Taylor dispersion technique. Ternary mutual diffusion coefficients (D_ik) measured by the same technique are reported for aqueous CDP + β-CD solutions at 298.15 K. The presence of β CD led to relevant changes in the diffusion process, as showed by nonzero values of the cross-diffusion coefficients, D₁₂ and D₂₁. β-CD concentration gradients produced significant co-current coupled flows of CDP. In addition, the effects of β-CD on the transport of CDP are assessed by comparing the binary diffusion coefficient of aqueous CDP solutions with the main diffusion coefficient (D₁₁) measured for ternary {CDP(1) + β-CD(2)} solutions. These observations are supported by viscosity analysis. All data allow to have a better interpretation on the effect of cyclodextrin on the transport behavior of CDP.