Journal of Molecular Liquids最新文献

{"title":"Hydrogels from agar and citrus pectin for cleaning cultural heritage objects","authors":"Maria Isabel Spitz-Argolo,&nbsp;Hannah Izabel Sauer,&nbsp;Raul Stropp Wunder,&nbsp;Jessica Petri,&nbsp;Izabel Cristina Riegel-Vidotti","doi":"10.1016/j.molliq.2025.127678","DOIUrl":"10.1016/j.molliq.2025.127678","url":null,"abstract":"<div><div>Agar (AG) hydrogels are largely used for cleaning cultural heritage objects. Herein, we present the preparation of a new binary hydrogel based on agar and citrus pectin (AG/CP) and its application in an oil painting on brushed aluminium. The use of citrus pectin is justified since it is a sustainable and innovative alternative, from an economic and scientific point of view. The hydrogels AG and AG/CP were prepared and analyzed comparatively. First, their properties were investigated by FTIR, SEM and water swelling degree. Next, they were applied to remove adhesive residues and other dirt from the painting surface. Finally, they were evaluated comparatively in terms of their performance as cleaning material to the painting. It was verified that AG/CP hydrogel is homogenous, transparent, mechanically self-sustainable, and absorbs water and ethanol in a more controlled manner than AG hydrogel, leading to a better result in cleaning the painting surface. Also, AG/CP was efficient in removing tape glue residues from the aluminium surface since it softens when in contact with solvent, allowing better interaction with the glues. Taking both neat and post-cleaned brushed aluminium, the successful removal of adhesive glue was confirmed by contact angle measurements. Our main finding is the demonstration of the good performance of the hydrogels containing citrus pectin, an abundant polysaccharide in Brazil, to enhance the state of conservation of contemporary work of art, without causing any damage to the object. Besides, the binary hydrogel was obtained through a simple and reproducible method, as it is its application on the work of art.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"431 ","pages":"Article 127678"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143918231","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 construction of aggregation induced emission based sensor for colorimetric multiphase sequential sensing of Al3+ and CN− with real sample applications: Development of efficient vapor phase pH sensor","authors":"Alam Shabbir ,&nbsp;Sohail Anjum Shahzad ,&nbsp;Mohammed A. Assiri ,&nbsp;Muqadas ,&nbsp;Iqra Mustafa ,&nbsp;Waqar Rauf","doi":"10.1016/j.molliq.2025.127706","DOIUrl":"10.1016/j.molliq.2025.127706","url":null,"abstract":"<div><div>A sensitive and optically selective 4-phenoxyphenyldiazenyl-biphenyl-2-ol sensor <strong>PDP</strong> exhibited photo-switchable behavior, excellent solvatochromic nature, large Stoke’s shift (172 nm), aggregation induced emission (AIE) and colorimetric characteristics. The sensor <strong>PDP</strong> (PDP = 20 µM, λ_absorption = 323 nm, λ_emission = 495 nm) with such amazing photophysical properties was employed for sequential sensing of Al³⁺ and CN⁻ through OFF-ON-OFF fluorescence emission approach. The sensing selectivity of sensor <strong>PDP</strong> is greatly dependent on diazo cavity and hydroxy functionality in <strong>PDP</strong> molecule. Azo dye-based <strong>PDP</strong> sensor has been simply synthesized through quick and economical diazotization coupling synthetic approach and characterized through spectroscopic techniques. Sensor <strong>PDP</strong> exhibited AIE nature with a slight blue shift from 20 to 90 % water fraction that demonstrates the formation of H-aggregates. The size of aggregates was investigated through DLS analysis. The quantified minimum detection limit (LOD) of sensor <strong>PDP</strong> for Al³⁺ and CN⁻ are 35 nM and 45 nM, respectively. UV <em>Vis.</em>, fluorescence, DLS, NMR and LRMS titration were executed to investigate the interaction between <strong>PDP</strong> and Al³⁺. The sensor <strong>PDP</strong> was used for real time sequential detection of Al³⁺ and CN⁻ in food materials. Due to the excellent colorimetric feature of sensor <strong>PDP</strong>, a paper or TLC-based strip was fabricated and utilized for on-site solid-state colorimetric sensing of Al³⁺ and CN⁻. Interestingly, <strong>PDP</strong> sensor is also sensitive toward strong acid-base pH in both solution and solid phase, and it is further developed for vapor phase sensing of TFA. Finally, the logic gate is fabricated for real time monitoring of analytes. Furthermore, all these experimental findings were validated through detailed DFT studies.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127706"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898903","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":"Enhancing acid stimulation in low-permeability carbonate reservoirs through the development of an innovative microemulsion retarding agent","authors":"Qing Wang ,&nbsp;Benjieming Liu ,&nbsp;Hang Su ,&nbsp;Haoyu Zhang ,&nbsp;Sen Yu ,&nbsp;Yunjin Wang ,&nbsp;Fujian Zhou ,&nbsp;Erdong Yao ,&nbsp;Zhangxin Chen ,&nbsp;Minghui Li ,&nbsp;Yilei Song","doi":"10.1016/j.molliq.2025.127711","DOIUrl":"10.1016/j.molliq.2025.127711","url":null,"abstract":"<div><div>Reducing the acid-rock reaction rate is crucial for enhancing acid stimulation in low-permeability carbonate reservoirs. This study introduces a diluted non-ionic microemulsion retarding agent optimized via a pseudo-ternary phase diagram, which significantly slows the acid-rock reaction by forming a barrier on the rock surface. The study revealed that the retarding agent has an average droplet size below 12 nm, enabling complete miscibility with water and acid in any ratio while maintaining the stability of the microemulsion structure. Rheological analysis confirms that the agent behaves according to the Newtonian model, with acid concentration influencing only its viscosity. The microemulsion adsorbs onto the rock surface through hydrogen bonding and other forces, is consistent with the Langmuir isotherm, and the adsorption amount depends on the concentration and wettability, effectively reducing the acid-rock reaction rate by 80 %. Moreover, the microemulsion exhibits properties such as wettability modification, interfacial tension reduction, and enhanced oil dissolution, reducing the injection pressure by 10 % and increasing the oil relative permeability during flowback by 16.67 %. The optimal injection rate for the microemulsion acid was 0.75–1.5 mL/min, outperforming crosslinked acid. In field applications, this allows for forming a singular, elongated dominant wormhole over a wide range of injection rates, enhancing the acidizing effect. The formulation presented herein offers a straightforward, effective solution for acidizing in low-permeability carbonate reservoirs, enhancing treatment efficiency and operational outcomes.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"431 ","pages":"Article 127711"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143918230","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":"Retraction notice to “The investigation of Fe3O4 atomic aggregation in a nanochannel in the presence of magnetic field: Effects of nanoparticles distance center of mass, temperature and total energy via molecular dynamics approach” [J. Mol. Liq. 348 (2022) 118400]","authors":"Xinglong Liu ,&nbsp;Moram A. Fagiry ,&nbsp;S. Mohammad Sajadi ,&nbsp;Radwan A. Almasri ,&nbsp;Arash Karimipour ,&nbsp;Zhixiong Li ,&nbsp;Dumitru Baleanu ,&nbsp;Ferial Ghaemi","doi":"10.1016/j.molliq.2025.127671","DOIUrl":"10.1016/j.molliq.2025.127671","url":null,"abstract":"","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127671"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143946698","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":"Retraction notice to “Sensitivity of adhesive and cohesive intermolecular forces to the incorporation of MWCNTs into liquid paraffin: Experimental study and modeling of surface tension” [J. Mol. Liquids 310 (2020) 113235]","authors":"Shu-Rong Yan ,&nbsp;Rasool Kalbasi ,&nbsp;Quyen Nguyen ,&nbsp;Arash Karimipour","doi":"10.1016/j.molliq.2025.127670","DOIUrl":"10.1016/j.molliq.2025.127670","url":null,"abstract":"","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127670"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143946526","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":"Assessment of the stability of oregano nanoemulsions by dielectric spectroscopy","authors":"Perla E. Vega-Guerrero ,&nbsp;Diego A. Bravo-Alfaro ,&nbsp;E. Prokhorov ,&nbsp;Gabriel Luna-Barcenas","doi":"10.1016/j.molliq.2025.127698","DOIUrl":"10.1016/j.molliq.2025.127698","url":null,"abstract":"<div><div>This study proposes a new methodology to monitor the stability of an oil-in-water (O/W) nanoemulsion based on oregano essential oil (OEO) as the oil phase and the surfactants Cremophor EL and Labrafil M1944CS. To achieve this, an OEO nanoemulsion was prepared using different oil concentrations through self-nanoemulsifying drug delivery systems (SNEDDS). Its stability was evaluated over 80 days using Dynamic Light Scattering (DLS), viscosity measurements, FTIR, and dielectric spectroscopy in the GHz frequency range. The interpretation of dielectric spectroscopy data was carried out using a three-phase model consisting of water as the continuous phase, oil droplets, and an interfacial layer formed by the surfactants, resulting in an O/W system. The results showed that nanoemulsion remained stable during the first 30 days, with droplet sizes ranging between 25 and 30 nm. However, after 80 days, an increase in droplet size was observed, reaching approximately 37 nm. Similarly, the thickness of the interfacial layer also increased, possibly due to the diffusion of the surfactant into the aqueous phase. The polydispersity index (PDI) remained around 0.24, indicating homogeneous droplet distribution and good stability throughout the storage period. The viscosity of the nanoemulsion increased with higher concentrations of the dispersed phase in the continuous phase due to stronger droplet interactions and reduced free space for flow, restricting the movement of both phases. Finally, dielectric spectroscopy was highlighted as a promising technique for assessing emulsion stability due to its high sensitivity and reproducibility.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"431 ","pages":"Article 127698"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143912319","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":"Retraction notice to “Rheological behavior of hybrid MWCNTs-TiO2/EG nanofluid: A comprehensive modeling and experimental study” [J. Mol. Liq. 308 (2020) 113058]","authors":"Shu-Rong Yan ,&nbsp;Rasool Kalbasi ,&nbsp;Quyen Nguyen ,&nbsp;Arash Karimipour","doi":"10.1016/j.molliq.2025.127664","DOIUrl":"10.1016/j.molliq.2025.127664","url":null,"abstract":"","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127664"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143946524","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":"Different phases of Cu(II)-based complexes with 1,10-phenanthroline impact intermolecular interactions, DNA binding affinities, and spectroscopic, electronic, microbiological and pharmacokinetic properties","authors":"Marinaldo V. de Souza Junior ,&nbsp;João G. de Oliveira Neto ,&nbsp;Luiz F.L. da Silva ,&nbsp;Alejandro P. Ayala ,&nbsp;Matheus M. Pereira ,&nbsp;Richard P. Dutra ,&nbsp;Eliana B. Souto ,&nbsp;Adenilson O. dos Santos ,&nbsp;Francisco F. de Sousa","doi":"10.1016/j.molliq.2025.127690","DOIUrl":"10.1016/j.molliq.2025.127690","url":null,"abstract":"<div><div>Two copper(II) complexes with 1,10-phenanthroline (phen), [Cu₂(C₁₂H₈N₂)₂(H₂O)] (NO₃)₂·(H₂O) and [Cu(C₁₂H₈N₂)₃] (NO₃)₂·(H₂O)₂, respectively named as MI and MII phases, were successfully synthesized and their properties investigated. Single-crystal X-ray diffraction (XRD) analysis revealed that both complexes crystallize in the triclinic system with <span><math><mrow><mi>P</mi><mover><mrow><mn>1</mn></mrow><mrow><mo>¯</mo></mrow></mover></mrow></math></span>-space group, exhibiting distinct structural phases. The MII phase obtained herein has never been reported in the literature, being thus identified as a new phase. Hirshfeld surface analysis highlighted that H⋯O/O⋯H and H⋯H interactions dominate, contributing to 38.9 % and 36.2 % of the total interactions for MI and MII phases, respectively. Functional groups were identified using Fourier-transform infrared (FT-IR) and Raman spectroscopy. Electronic and optical properties were investigated using density functional theory calculations with the CASTEP Package. From molecular docking, both MI and MII phases were found to have a high capacity for binding to the DNA structure; however, with different binding affinities. Antibacterial assays demonstrated significant activity against <em>E. faecalis</em> ATCC 29212, <em>E. coli</em> ATCC 25922, and <em>P. aeruginosa</em> ATCC 27853 strains. The estimation of the <em>in silico</em> pharmacokinetic properties confirmed limited risk of toxicity of the complexes, which can be suggested as glycoproteins’ substrate.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"431 ","pages":"Article 127690"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143907114","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":"Enhanced oil recovery using chemical and nanoparticles for heavy oil sandstone reservoirs: Chemical vs nanofluid flooding","authors":"Rahul Saha ,&nbsp;Ranjan Phukan","doi":"10.1016/j.molliq.2025.127707","DOIUrl":"10.1016/j.molliq.2025.127707","url":null,"abstract":"<div><div>An enormous amount of trapped residual heavy crude oil that exists inside the reservoir after conventional water flooding can be recovered by enhancing the oil displacement efficiency. This oil displacement inside the rock pores can be governed by the application of chemical flooding schemes. In this investigation, we have examined the efficacy of chemical (surfactant-polymer) and nanofluid (surfactant-polymer-nanoparticles) flooding for recovery of heavy residual crude oil in sandstone reservoirs. Polymer (PAM), four different surfactants (anionic and non-ionic) and SiO₂ nanoparticles (hydrophilic) were examined to understand the synergistic behaviour between chemicals, nanofluids and heavy crude oil. The zeta potential value of nanofluid samples ranges between −60.1 to −36.9 mV after 15 days, indicating long term stability of nanofluid system. Additionally, the average particle size analyses conveyed the negligible sedimentation behaviour as encountered by the nanofluid samples. The reduction in oil–water interfacial tension, extent of emulsification, improved emulsion stability as investigated by creaming index (nano-emulsion vs emulsion), highlighted the potential of chemical and nanofluid flooding towards improved oil recovery factor. Lowest contact angle of 12°–20° as detected by nanofluid further conveys the solid–liquid favourable wettability alteration behaviour. Moreover, core flooding experiments conducted showed improved residual oil recovery between 20–22 % original oil in place (OOIP) for chemical (surfactant-polymer) combinations and 22–26 % OOIP for nanofluid (surfactant-polymer-nanoparticles) combinations. Finally, an economy analysis was executed to detect the optimum flooding schemes for sandstone oil field reservoirs.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"431 ","pages":"Article 127707"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143912317","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":"Development of a Bis(1,2,3-triazolyl) ring for Sn(II) ion sensing and in silico targeting of CGPTaseEnzyme","authors":"Gurjaspreet Singh ,&nbsp;Anita Devi ,&nbsp;Anamika Saini ,&nbsp;Harshbir Kaur ,&nbsp;Anurag Dalal","doi":"10.1016/j.molliq.2025.127693","DOIUrl":"10.1016/j.molliq.2025.127693","url":null,"abstract":"<div><div>The growing industrial use of Sn(II) causessignificant hazards to both human and the atmosphere, demand the fast need for the development of a sensor capable of selectively and sensitively detecting Sn(II). Herein, a bis(1,2,3-triazolyl) functionalized with 4-(diethylamino)-2-hydroxybenzaldehyde was synthesized as a dual-function sensor for absorption and fluorescence detection, with a focus on its interaction with Sn(II) ions. The prepared sensor was characterized using IR,¹H and ¹³C NMR spectroscopy along with mass spectrometry. The sensor exhibited anincrease in fluorescence intensity upon addition of Sn(II) with detection limit of 75.9 nM. The¹H-NMR spectra, MS spectrum, andGaussian calculations confirmed the interactions between the sensor and Sn(II). The sensor demonstrated excellent pH stability and photostability. The real sample analysis of Sn(II) was performed using drinking and distilled water, yielding a recovery rate of up to 97.47 %.Additionally, the sensor was evaluated using Prediction of Activity Spectra (PASS) analysis, suggesting CDP-glycerol glycerophosphotransferase (CGPTase) inhibitor activity. Based on these findings,molecular docking study was performed with CDP-glycerol glycerophosphotransferase (PDB code 8VA1), demonstrating potential inhibitory activity with a binding energy of −7.64 kcal/mol. These results suggest the potential of triazole-based sensors for metal ion sensing and in silico antibacterial application, specifically targeting key enzymes involved in bacterial cell wall stability.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"431 ","pages":"Article 127693"},"PeriodicalIF":5.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143907110","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}