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Molecular Advances on Solubility and Diffusivity in Water-Based Systems and in Biological Media

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 20 August 2025 | Viewed by 467

Special Issue Editors


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Guest Editor
Physical Chemistry, Universidad de Zaragoza, Zaragoza, Spain
Interests: advanced separation methods; supercritical fluids; process development; thermodynamic properties; biocides; cosmetic; thermodynamics; solvation; fluid mixtures
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Guest Editor

Special Issue Information

Dear Colleagues,

Knowledge of the solubility and mass transport of drugs or other chemicals in aqueous media and in biological tissues is fundamental for the understanding of many phenomena in the fields of chemistry and biology, and also for the development of many industrial processes for the production of drugs and fine or bulk chemicals.

As is known, because its physical and chemical attributes, its readily availability in nature and its non-poisonous character, water is the solvent par excellence. Also, being the most abundant component in many living organisms, water plays a key role as a solvent that helps transport substances such as oxygen, nutrients or drugs in tissues. In fact, the pharmaceutical industry is a productive sector highly dependent on water. This is essential for production of active ingredients ,either as a solvent for extraction, as a vehicle for reagents, or as an excipient, among other uses.

In relation to the bioavailability of therapeutic agents, along with the route of administration, the solubility in the aqueous medium and the diffusion of the bioactive can play very important roles. Something similar could be said regarding the action of contaminants or other chemical agents. In the case of drugs orally delivered to humans, it has been estimated that when having aqueous solubilities less than 100 mg/mL, their absorption through the intestinal tract may be very limited.

Both solubility and diffusivity in aqueous media and organic tissues are determined by microscopic factors, that is, molecular structures and interactions between the molecules of the system. Thus, this molecular approach to solubility and diffusivity constitutes the main focus of the present Special Issue of the IJMS.

This Issue therefore invites submissions of manuscripts corresponding to original research and review articles addressing molecular aspects of the solubility in aqueous media and diffusivity of drugs and other chemicals in tissues and biological organisms.

The scope of this Issue mainly encompasses the following:

  • Theoretical foundations of solubility and solubilization in water. Molecular interpretation and prediction
  • Application of novel theories and technologies to calculations and experimental studies on solubility and diffusibility in water, in the fields of engineering, chemistry, medicine, biology, food, materials, etc.
  • Transport of chemical substances through biological barriers,
  • Analysis of the molecular diffusivity of bioactive compounds in biological media.

Dr. Ana M. Mainar
Prof. Dr. José S. Urieta
Guest Editors

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • water solubility 
  • water-solute interactions 
  • solvation, hydrophobic and hydrophilic effects 
  • improving water solubility and prediction 
  • solution of chemicals in biological media 
  • diffusivity 
  • drug transport and bioavailability
  • chemicals diffusivity across biological barriers

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Published Papers (1 paper)

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Research

19 pages, 3924 KiB  
Article
Impact of Vehicle Composition on Solubility, Autoclave Sterilization Stability, and Antibacterial Activity of Ciprofloxacin Hydrochloride Ear Drops
by Weerasak Samee, Sarin Tadtong, Wanna Eiamart, Pattaraporn Singwiset, Sirivimon Yingyomsarn and Patcharawee Nunthanavanit
Int. J. Mol. Sci. 2025, 26(9), 4458; https://doi.org/10.3390/ijms26094458 - 7 May 2025
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Abstract
This research focused on the formulation of ciprofloxacin hydrochloride ear drops for the treatment of acute otitis externa, caused by pathogens such as Staphylococcus aureus and Pseudomonas aeruginosa. The study aimed to enhance the solubility of ciprofloxacin at physiological pH and improve [...] Read more.
This research focused on the formulation of ciprofloxacin hydrochloride ear drops for the treatment of acute otitis externa, caused by pathogens such as Staphylococcus aureus and Pseudomonas aeruginosa. The study aimed to enhance the solubility of ciprofloxacin at physiological pH and improve its stability during autoclave sterilization by employing polyalcohol vehicle systems composed of deionized water, glycerin, and propylene glycol. Formulations containing 0.33% w/v ciprofloxacin HCl were evaluated for solubility within a pH range of 4.0 to 7.0 and underwent autoclave sterilization to assess their chemical stability and antibacterial efficacy. Following sterilization, the formulations were stored at 25 °C in amber containers for a duration of 180 days. High-performance liquid chromatography (HPLC) was utilized to evaluate chemical stability, while antibacterial activity was determined using the disk diffusion method. The results demonstrated that glycerin and propylene glycol effectively inhibited ciprofloxacin precipitation at physiological pH. The ciprofloxacin content decreased by less than 3.58% while preserving antimicrobial efficacy against S. aureus and P. aeruginosa. Both formulations retained over 90% of their labeled drug content, indicating a minimum shelf life of 180 days under the specified storage conditions. Full article
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