Journal of Molecular Liquids最新文献

{"title":"Effect of imidazolium-based ionic liquid on CO2 sequestration: a study on solubility, interfacial properties, and X-ray imaging in water-wet formations","authors":"Amany A. Aboulrous ,&nbsp;Nihal Mounir Darraj ,&nbsp;Vincenzo Cunsolo ,&nbsp;David Uko ,&nbsp;J.P. Martin Trusler ,&nbsp;Martin J. Blunt","doi":"10.1016/j.molliq.2025.128111","DOIUrl":"10.1016/j.molliq.2025.128111","url":null,"abstract":"<div><div>The efficiency of geological CO₂ sequestration is often limited by low CO₂ solubility, which poses challenges for long-term storage stability. This study addresses these limitations by exploring the potential of 1-butyl-3-methylimidazolium bromide (BMIM-Br) to enhance CO₂ storage in water-wet subsurface formations. BMIM-Br was synthesized via a microwave-assisted method and the structure was confirmed using different spectroscopic methods including Fourier Transform Infrared Spectroscopy (FTIR), and Proton Nuclear Magnetic Resonance (¹H NMR) analysis.</div><div>Under conditions of 3 MPa and 323.15 K, the solubility of CO₂ in a 5 wt% BMIM-Br solution was more than double the solubility in pure water. At 0.3 MPa, the interfacial tension (IFT) between CO₂ and the BMIM-Br solution decreased from 36.3 mN/m to 32.9 mN/m at 293.15 and 323.15 K, respectively compared to the pure water values 69.9 mN/m and 63.8 mN/m respectively at the same conditions. When CO₂ was injected into a Bentheimer sandstone rock sample fully saturated with the aqueous phase. There was a significant increase in CO₂ saturation (<em>S</em>_<em>CO2</em>), rising from 0.58 with pure water to 0.72 with BMIM-Br. The lowered interfacial tension allows more of the pore space to be accessed at the same imposed capillary pressure. When the aqueous phase was injected to displace CO₂, the residual saturation was 0.21 with pure water, but only 0.16 for the BMIM-Br solution. This is likely a consequence of increased dissolution of CO₂ in BMIM-Br. These results suggest that BMIM-Br significantly improves CO₂ solubility and injectivity by reducing interfacial tension. Its overall impact points to a promising strategy for optimizing CO₂ sequestration in subsurface formations.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128111"},"PeriodicalIF":5.3,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144604706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and performance study of the fracturing thickener P(AM/AA/AMPS/NVP/DMAAC-16) for rapid fluid preparation","authors":"Dingfan Xue ,&nbsp;Lanbing Wu ,&nbsp;Rongsheng Gao ,&nbsp;Yiping Cao ,&nbsp;Chao Zhao ,&nbsp;Qi Liu ,&nbsp;Yongfei Li ,&nbsp;Ying Tang ,&nbsp;Michal Slaný ,&nbsp;Gang Chen","doi":"10.1016/j.molliq.2025.128113","DOIUrl":"10.1016/j.molliq.2025.128113","url":null,"abstract":"<div><div>To meet the requirements of oilfield fracturing operations for rapid working fluid preparation, an emulsion-based thickener, P(AM/AA/AMPS/NVP/DMAAC-16), was synthesized via inverse emulsion polymerization. The synthesis utilized acrylamide (AM), acrylic acid (AA), 2-acrylamido-2-methylpropane sulfonic acid (AMPS), N-vinylpyrrolidone (NVP) and hexadecyl dimethyl allyl ammonium chloride (DMAAC-16) as raw materials was performed. The effects of emulsifier dosage, oil-water ratio, monomer mole ratio, monomer dosage, aqueous phase pH, initiator dosage, reaction temperature, and reaction time and other factors on the experiment were explored through single-factor experiments. The optimal synthesis conditions were determined as follows: an oil-to-water volume ratio of 0.7, the amount of emulsifier is 5 % (relative to the oil phase mass), an initiator concentration of 0.03 % (relative to the total reaction system mass), a reaction time of 4 h, a reaction temperature of 50 °C, an aqueous phase pH of 7, and a total monomer concentration of 35 % of the total system mass, with a molar ratio of n (AM): n(AA): n(AMPS): n(NVP): n(DMAAC-16) = 86.2: 9.7: 3.3: 0.4: 0.4. Furthermore, X-ray diffraction analysis (XRD), infrared spectroscopy analysis (FTIR) and scanning electron microscopy analysis were performed on the polymer product. The characterization results showed that the synthesized product exhibits the characteristics of the target product. The study showed that P(AM/AA/AMPS/NVP/DMAAC-16) polymer exhibits excellent solubility and good application performance, effectively addressing the challenges of moisture absorption, deterioration, long dissolution and preparation time, and complex preparation of powder thickeners in traditional water-based fracturing fluid systems during storage or transportation.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128113"},"PeriodicalIF":5.3,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144587567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase diagrams of therapeutic deep eutectic solvents (THEDES) under CO2 partial pressure","authors":"Raúl Díaz,&nbsp;Albertina Cabañas,&nbsp;Eduardo Pérez","doi":"10.1016/j.molliq.2025.128103","DOIUrl":"10.1016/j.molliq.2025.128103","url":null,"abstract":"<div><div>There is a growing interest in the study of Therapeutic Deep Eutectic (THEDES) properties in combination with supercritical CO₂ for improved drug delivery. The phase diagrams of two Deep Eutectic Solvents (Ibuprofen:Thymol and Sobrerol:Thymol) were measured under 40 bar partial pressure of CO₂ using a variable volume view cell. The results were compared to data at atmospheric pressure found in the literature. A displacement of the whole diagrams (liquidus and solidus lines) to lower temperatures (≈ 10–16 K) was observed without a significant change of the shape of the diagram. The eutectic composition for the system Ibuprofen:Thymol was not appreciably shifted. For the two systems studied, the temperature drop was slightly higher for the eutectic temperature and solidus line compared to that of the pure components. Solubility of CO₂ in the liquid phase for pure compounds and DES was estimated and related to deviations from ideality of the mixture at atmospheric pressure. The decrease of the melting point of the eutectic mixtures under CO₂ pressure can expand the liquid range of the THEDES enabling new formulations.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128103"},"PeriodicalIF":5.3,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144653055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Piezoelectric crystalline hydrogels of two surfactants with different polarity and long-chain alcohols","authors":"Eshita Patel ,&nbsp;Aicheng Chen ,&nbsp;Saeed M. Ghazani ,&nbsp;Alejandro G. Marangoni ,&nbsp;Stefano Gregori ,&nbsp;Erica Pensini","doi":"10.1016/j.molliq.2025.128108","DOIUrl":"10.1016/j.molliq.2025.128108","url":null,"abstract":"<div><div>Piezoelectric materials are capacitive and transform mechanical deformations into electricity. The zwitterionic surfactant cocamidopropyl hydroxysultaine (CAPS) and the anionic surfactant sodium dodecyl sulfate (SDS) have a different dipole moment. Binary mixtures of CAPS and water are capacitive, although they are liquid or incohesive. CAPS interacts with decanol through its amino and sulfate groups, as revealed by Fourier transform infrared spectroscopy. A CAPS-decanol complex with a melting point of ∼31 °C is observed by differential scanning calorimetry. Mixtures of 1:1:14 CAPS:decanol: water (mole based) are birefringent gels, with an elastic modulus G' greater than the loss modulus G\", as shown by polarized light microscopy and shear rheology. They have a cubic crystalline structure, as shown by X-ray diffraction in the small angle X ray scattering (SAXS) region. Aqueous mixtures of CAPS and decanol are also capacitive and piezoelectric. CAPS-octanol interactions are weaker, and their aqueous mixtures are more amorphous compared to CAPS-decanol mixtures, as revealed by SAXS. SDS also yields crystalline, birefringent gels upon mixing with water and either octanol or decanol. However, SDS has a smaller dipole moment than CAPS, and these gels are less capacitive.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128108"},"PeriodicalIF":5.3,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144587566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polymer composite nanoarchitectonics with high-porous polyether sulfone/ activated carbon/ cellulose nano-whisker films for adsorptive removal of toxic cationic basic violet 16 dye from wastewater","authors":"Alireza Goudarzi,&nbsp;Sajjad Eyni Gavabari,&nbsp;Parsa Teymouri,&nbsp;Fateme Veghari Atigh","doi":"10.1016/j.molliq.2025.128084","DOIUrl":"10.1016/j.molliq.2025.128084","url":null,"abstract":"<div><div>In this study, nanoarchitected composite films with high porosity were created using polyether sulfone (PES), activated carbon (AC), and cellulose nano-whiskers (CNWs) by a phase inversion method at room temperature and atmospheric pressure. The effectiveness of these films was evaluated for the adsorptive removal of the toxic cationic dye, Basic Violet 16 (BV16), from wastewater. The CNWs were extracted from tissue paper, as a cost-effective and easily accessible source of cellulose, using the acidic hydrolysis method and employed in the fabrication of nanocomposite adsorbent films to increase their hydrophilicity. The resulting nanocomposite films were analyzed for hydrophilicity, surface roughness, morphology, thermal stability, and antifungal properties. The results indicated that adding AC and CNW to the PES films improved their thermal stability by approximately 11 to 17 °C.The nanocomposite films containing 1.0 wt% CNWs exhibited the highest hydrophilic properties and the films containing 0.50 wt% AC showed the highest surface roughness as well as the best adsorption performance of BV16 dye, with a maximum adsorption capacity of 89.28 <span><math><mi>mg</mi><mspace></mspace><msup><mi>g</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>. The adsorption of BV16 by the nanocomposite adsorbent followed the pseudo-second-order kinetic model and the Freundlich isotherm model and was found to have an endothermic nature. The results indicated that the adsorption mechanism is a combination of physical and chemical adsorption. Furthermore, the prepared adsorbent demonstrated promising antifungal properties against <em>Candida albicans</em> and <em>Aspergillus niger</em>. Overall, the study reported good results regarding the antifungal properties and toxic pollutant adsorption performance of PES/AC/CNW nanocomposite adsorbent.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128084"},"PeriodicalIF":5.3,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solvent specific evaporation properties from the surface of carbon nanotube buckypapers doped by hydrophilic 1D nanomaterials","authors":"Ildikó Y. Tóth,&nbsp;Ákos Kukovecz","doi":"10.1016/j.molliq.2025.128089","DOIUrl":"10.1016/j.molliq.2025.128089","url":null,"abstract":"<div><div>Non-functionalized carbon nanotube based self-supporting buckypaper doped by hydrophilic imogolite nanotube was prepared as a first step. This novel composite was characterized by SEM with EDX and was studied comprehensively to determine the wetting and evaporation processes. The wetting and vaporization of 5 μL drops from acetone, water, methanol, ethanol and 2-propanol were monitored at 51 °C in parallel by mass (<em>m</em>) and electrical resistance (<em>R</em>) measurements as well as by thermography. The mass loss curves and the evaporation profiles (determined from <em>R</em> measurements) are characteristic for the vaporizing fluids. Pearson correlation coefficients method was used to describe the relationship between the physical properties of the liquids and the parameters characteristic for the vaporization determined from the <em>m</em> and <em>R</em> measurements. These relationships are promising for a potential analytical application.</div><div>Solvent specific evaporation properties of carbon nanotube buckypapers doped by different hydrophilic <em>1D</em> nanomaterials were characterized as a second step. The results were compared for the prepared layered structured buckypaper doped by imogolite nanotube and for a mixed structured buckypaper doped by goethite nanowire. Wetting and vaporization process of water was described for both composites by the simultaneous analysis of the thermography, <em>m</em> and <em>R</em> measurements. The presence of hydrophilic <em>1D</em> nanomaterials changed the evaporation profiles characteristic for the liquids and for the doping materials, which shows the power of the used method.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128089"},"PeriodicalIF":5.3,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144613874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Designing functional viologen salts with colossal ionic conductivities through counterion composition and chain length: where is the limit?","authors":"Seonghyeok L. Cox ,&nbsp;Si L. Chen ,&nbsp;Jakob Smith ,&nbsp;David King ,&nbsp;Haesook Han ,&nbsp;Pradip K. Bhowmik ,&nbsp;Calvin Ng Yi Bin ,&nbsp;Thamil Selvi Velayutham ,&nbsp;Alfonso Martinez-Felipe","doi":"10.1016/j.molliq.2025.128091","DOIUrl":"10.1016/j.molliq.2025.128091","url":null,"abstract":"<div><div>We report the synthesis, characterization, and conductivity response of five new dicationic ionic liquid (DCIL) salts featuring phenyl-extended viologen cores coupled with terminal oxyethylene groups (CH₂CH₂O)_n of two different lengths (<em>n</em> = 3 and 7) and paired with three distinct counter-anions: fluorosulfonylimide ((N(FSO₂)₂⁻, FSI), trifluoromethylsulfonylimide (N(CF₃SO₂)₂⁻, TFSI), and nonaflate (CF₃(CF₂)₃SO₃⁻, ONf). All salts are amorphous and exhibit near- or sub-zero glass transition temperatures (<em>T</em>_<em>g</em><em>s</em>), attributed to the plasticizing effect of the (CH₂CH₂O)_n chains, and show chromophore responses in organic solvents. The five salts display large dielectric responses with conductivities in the 10^–0.5 S·cm⁻¹ range, facilitated by the smaller counter-anion, FSI. These conductivity values are substantial for organic (non-aqueous) media, comparable to benchmark commercial electrolytes, positioning these viologen salts among the highest-performing ionic liquids reported in the literature.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128091"},"PeriodicalIF":5.3,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase equilibria of estrogenic compounds and water with poly(guluronate): an atomistic study","authors":"Madison Lasich","doi":"10.1016/j.molliq.2025.128090","DOIUrl":"10.1016/j.molliq.2025.128090","url":null,"abstract":"<div><div>Estrogenic compounds are an emerging contaminant in wastewater due to human activities, while also being essential chemicals in agricultural practices and biomedical therapies. This contribution presents a systematic investigation of the phase equilibria and associated intermolecular interactions between water, estradiol, estriol, estrone, ethinylestradiol, diethylstilbestrol, mestranol, and progesterone with poly(guluronate). Guluronate is a constituent of the common polysaccharide biopolymer alginate. Molecular dynamics simulations were used to study the cohesive energy density of poly(guluronate) chains, while stochastic molecular simulations were employed to study the mixing energy, coordination numbers, and free energy of water or estrogen + guluronate systems. Phase equilibria were then computed using an extended Flory-Huggins approach coupled with the results of the stochastic atomistic simulations. The results presented herein yield insights into the molecular-level behaviour of these emerging pollutants with this biopolymer, which can assist in future research related to environmental remediation, contaminant detection, and drug release.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128090"},"PeriodicalIF":5.3,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Deep eutectic solvent-assisted pretreatment of Ulva seaweed cellulose and in silico characterization","authors":"Rizfi Fariz Pari ,&nbsp;Uju Uju ,&nbsp;Wahyu Ramadhan ,&nbsp;Safrina Dyah Hardiningtyas ,&nbsp;Kiyohiro Toyofuku ,&nbsp;Rie Wakabayashi ,&nbsp;Masahiro Goto ,&nbsp;Noriho Kamiya","doi":"10.1016/j.molliq.2025.128095","DOIUrl":"10.1016/j.molliq.2025.128095","url":null,"abstract":"<div><div><em>Ulva lactuca</em>, a rapidly growing seaweed, is a sustainable biomass resource rich in polysaccharides such as cellulose. Conventional cellulose extraction methods often rely on harsh chemicals. Here, we investigated hydrophilic and hydrophobic deep eutectic solvents (DESs) as green alternatives for pretreating seaweed-derived amorphous cellulose. DESs were selected from computational predictions of eutectic point formation and classified by their partition coefficients and phase behavior in aqueous media. The selected hydrophilic DESs were betaine:urea, choline chloride (ChCl):urea, and ChCl:citric acid, and the hydrophobic DESs contained thymol and decanoic acid, octanoic acid, formic acid, or methanesulfonic acid. Pretreatment of the DESs with ChCl:urea and thymol:decanoic acid facilitated formation of seaweed cellulose microfibers (SCMF) with average diameters of 53.51 ± 14.00 and 153.60 ± 55.45 nm, respectively. High yields (75 %–84 %) were obtained because these systems did not result in extensive cellulose dissolution. Conversely, DESs containing organic acids, such as thymol:methanesulfonic acid and ChCl:citric acid, helped remove non-cellulosic impurities and amorphous regions, which increased the purity and crystallinity (crystallinity indexes: 48.50 and 27.30, respectively). The SCMF were readily dispersed in water and could adsorb methylene blue (up to 554.76 mg/g). Molecular dynamics simulations corroborated the experimental findings. Radial distribution function, coordination number, and hydrogen bond analyses revealed that DESs disrupted the cellulose's hydrogen-bond network and influenced fiber morphology. Hydrophobic DESs preserved the fiber integrity, while hydrophilic DESs promoted chain rearrangement. This present work demonstrates that DES pretreatment can produce SCMF with desired structural attributes and offers a sustainable and versatile approach for biorefinery applications<em>.</em></div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128095"},"PeriodicalIF":5.3,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solvent-dependent photophysical and photochemical properties of genistein: Insights from spectroscopic and quantum chemical analysis","authors":"Waldemar Kujawski,&nbsp;Marta Miotke-Wasilczyk,&nbsp;Dzmitryi Ushakou,&nbsp;Marek Józefowicz","doi":"10.1016/j.molliq.2025.128082","DOIUrl":"10.1016/j.molliq.2025.128082","url":null,"abstract":"<div><div>Experimental (steady-state absorption and fluorescence techniques) and quantum chemistry (density functional theory (DFT) calculations) methods have been used in order to investigate the solvent-dependent photophysical and photochemical properties of genistein (GEN) – isoflavone with potential therapeutic applications, particularly in the treatment of neurodegenerative diseases such as Alzheimer's disease. The effect of microenvironment on spectral behaviour was analyzed in terms of three models: the Reichardt's single parameter polarity scale (<span><math><msubsup><mi>E</mi><mi>N</mi><mi>T</mi></msubsup></math></span>), the linear solvation energy relationship (LSER) developed by Catalán, solvatochromic shift methods based on the Onsager's description of universal solute-solvent interactions. The experimental results, supported by quantum chemical calculations, indicate that both non-specific and specific (hydrogen bond) interactions contribute to the observed solvatochromism. Since a general understanding of the effect of microenvironment on the GEN solvatochromism cannot be achieved without determining the values <!--> <!-->of the dipole moment in the ground (<span><math><msub><mover><mi>μ</mi><mo>→</mo></mover><mi>g</mi></msub></math></span>) and excited (<span><math><msub><mover><mi>μ</mi><mo>→</mo></mover><mi>e</mi></msub></math></span>) states, these important physical parameters were obtained using solvatochromic shift methods and quantum chemical calculations. Additionally, the role of solute polarizability on the obtained dipole moment values is also addressed. In the light of our studies, it can be concluded that understanding the molecular mechanisms underlying GEN-microenvironment interactions is of great importance considering its therapeutic applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"435 ","pages":"Article 128082"},"PeriodicalIF":5.3,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144587428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}