{"title":"探索双酚唑- triton X-100在二元溶剂体系中的表面能量学、润湿性和热力学见解","authors":"Minal Chauhan, Aman Sharma, Poonam Sharma","doi":"10.1016/j.molliq.2025.128567","DOIUrl":null,"url":null,"abstract":"<div><div>Bifonazole is a topical antifungal agent, but its therapeutic effectiveness is limited due to low solubility and permeability. The study explores physicochemical interaction between bifonazole and the non-ionic surfactant Triton X-100 to enhance the solubility and bioavailability of topical delivery of bifonazole. The thermodynamic studies were conducted using three distinct concentrations of bifonazole (1 mg, 5 mg, and 10 mg), five hydro-ethanolic solvent concentrations (20 % <em>v</em>/v, 40 % v/v, 60 % v/v, 80 % v/v, and 100 % <em>v</em>/v), and five temperatures ranging from 20 °C to 40 °C. Various parameters, including density (ρ), surface tension (σ), contact angle (θ), and surface free energy, were evaluated. Additionally, critical micelle concentration (CMC) values were determined using the surface tension, along with key thermodynamic factors such as Gibbs free energy (ΔG°ₘ), standard enthalpy change (ΔH°ₘ), and standard entropy change (ΔS°ₘ). The ΔH°ₘ and ΔG°ₘ showed negative values, indicating spontaneous and exothermic micellization. The contact angle and surface free energy studies were employed to determine the hydrophobicity and hydrophilicity within the system. The results highlight specific concentrations and solvent conditions in which the bifonazole-surfactant combination exhibits improved thermodynamic stability, providing valuable insights for optimizing topical drug formulations.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"437 ","pages":"Article 128567"},"PeriodicalIF":5.2000,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring surface energetics, wettability and thermodynamic insights of bifonazole–triton X-100 in binary solvent systems\",\"authors\":\"Minal Chauhan, Aman Sharma, Poonam Sharma\",\"doi\":\"10.1016/j.molliq.2025.128567\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Bifonazole is a topical antifungal agent, but its therapeutic effectiveness is limited due to low solubility and permeability. The study explores physicochemical interaction between bifonazole and the non-ionic surfactant Triton X-100 to enhance the solubility and bioavailability of topical delivery of bifonazole. The thermodynamic studies were conducted using three distinct concentrations of bifonazole (1 mg, 5 mg, and 10 mg), five hydro-ethanolic solvent concentrations (20 % <em>v</em>/v, 40 % v/v, 60 % v/v, 80 % v/v, and 100 % <em>v</em>/v), and five temperatures ranging from 20 °C to 40 °C. Various parameters, including density (ρ), surface tension (σ), contact angle (θ), and surface free energy, were evaluated. Additionally, critical micelle concentration (CMC) values were determined using the surface tension, along with key thermodynamic factors such as Gibbs free energy (ΔG°ₘ), standard enthalpy change (ΔH°ₘ), and standard entropy change (ΔS°ₘ). The ΔH°ₘ and ΔG°ₘ showed negative values, indicating spontaneous and exothermic micellization. The contact angle and surface free energy studies were employed to determine the hydrophobicity and hydrophilicity within the system. The results highlight specific concentrations and solvent conditions in which the bifonazole-surfactant combination exhibits improved thermodynamic stability, providing valuable insights for optimizing topical drug formulations.</div></div>\",\"PeriodicalId\":371,\"journal\":{\"name\":\"Journal of Molecular Liquids\",\"volume\":\"437 \",\"pages\":\"Article 128567\"},\"PeriodicalIF\":5.2000,\"publicationDate\":\"2025-09-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Liquids\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0167732225017441\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167732225017441","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Exploring surface energetics, wettability and thermodynamic insights of bifonazole–triton X-100 in binary solvent systems
Bifonazole is a topical antifungal agent, but its therapeutic effectiveness is limited due to low solubility and permeability. The study explores physicochemical interaction between bifonazole and the non-ionic surfactant Triton X-100 to enhance the solubility and bioavailability of topical delivery of bifonazole. The thermodynamic studies were conducted using three distinct concentrations of bifonazole (1 mg, 5 mg, and 10 mg), five hydro-ethanolic solvent concentrations (20 % v/v, 40 % v/v, 60 % v/v, 80 % v/v, and 100 % v/v), and five temperatures ranging from 20 °C to 40 °C. Various parameters, including density (ρ), surface tension (σ), contact angle (θ), and surface free energy, were evaluated. Additionally, critical micelle concentration (CMC) values were determined using the surface tension, along with key thermodynamic factors such as Gibbs free energy (ΔG°ₘ), standard enthalpy change (ΔH°ₘ), and standard entropy change (ΔS°ₘ). The ΔH°ₘ and ΔG°ₘ showed negative values, indicating spontaneous and exothermic micellization. The contact angle and surface free energy studies were employed to determine the hydrophobicity and hydrophilicity within the system. The results highlight specific concentrations and solvent conditions in which the bifonazole-surfactant combination exhibits improved thermodynamic stability, providing valuable insights for optimizing topical drug formulations.
期刊介绍:
The journal includes papers in the following areas:
– Simple organic liquids and mixtures
– Ionic liquids
– Surfactant solutions (including micelles and vesicles) and liquid interfaces
– Colloidal solutions and nanoparticles
– Thermotropic and lyotropic liquid crystals
– Ferrofluids
– Water, aqueous solutions and other hydrogen-bonded liquids
– Lubricants, polymer solutions and melts
– Molten metals and salts
– Phase transitions and critical phenomena in liquids and confined fluids
– Self assembly in complex liquids.– Biomolecules in solution
The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include:
– Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.)
– Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.)
– Light scattering (Rayleigh, Brillouin, PCS, etc.)
– Dielectric relaxation
– X-ray and neutron scattering and diffraction.
Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.