Nadia A.A. Elkanzi , Mha Albqmi , Ali M. Ali , Aly Abdou
{"title":"Exploring the enhanced bioactivity and reactivity of novel Fe(III) and Co(II) complexes incorporating sulfadiazine tetradentate ligand: Structural, DFT, molecular docking, and biological applications","authors":"Nadia A.A. Elkanzi , Mha Albqmi , Ali M. Ali , Aly Abdou","doi":"10.1016/j.molliq.2024.126594","DOIUrl":"10.1016/j.molliq.2024.126594","url":null,"abstract":"<div><div>This current work presented the synthesis, characterization and bio-evaluation of new Fe(III) (FePSD), and Co(II) (CoPSD) complexes based on <em>N</em>-[4-amino-5-cyano-6-(methylthio)pyridin-2-yl]-3-oxobutanamide in pyridine afford <em>N</em>-(4-amino-5-cyano-6-(methylthio) pyridin-2-yl)-3-oxo-2-([4-(pyrimidin-2-ylsulfamoyl) phenyl]hydrazono) butanamide (PSD). Interestingly, the FePSD and CoPSD complexes exhibit notable stability and solubility in organic solvents, with molar conductivity values of 79.35 Ω<sup>−1</sup> cm<sup>2</sup> mol<sup>−1</sup> for FePSD and 8.89 Ω<sup>−1</sup> cm<sup>2</sup> mol<sup>−1</sup> for CoPSD, indicating a 1:1 electrolytic nature for FePSD and non-electrolytic behavior for CoPSD. FTIR analysis confirmed metal–ligand interactions, as shifts in key bands were observed, while UV–Vis spectra and magnetic moment measurements supported octahedral geometries for both complexes. DFT calculations provided insights into the electronic structure, revealing that CoPSD has higher reactivity and electrophilicity, while FePSD showed moderate reactivity. Thermal and mass spectral analyses further characterized their stoichiometry and stability. The antibacterial and antifungal activities were evaluated against a range of Gram-positive and Gram-negative bacteria and fungal strains. The FePSD and CoPSD complexes demonstrated significantly enhanced antimicrobial efficacy compared to the parent ligand, as evidenced by larger inhibition zones, higher activity indices, and lower minimum inhibition concentrations (MIC). CoPSD exhibited superior antibacterial and antifungal activity compared to FePSD, nearing the effectiveness of standard antibiotics and antifungal drugs. Additionally, the anti-inflammatory potential of these compounds was assessed using the egg albumin denaturation method. Both FePSD and CoPSD showed remarkable inhibition of protein denaturation, surpassing the parent ligand and even outperforming the standard drug Ibuprofen at higher concentrations. The enhancement in biological activity is attributed to the metal chelation effect, which improves cell membrane permeability and reactive oxygen species (ROS) generation. Molecular docking studies further elucidated the binding interactions of PSD, FePSD, and CoPSD with target proteins, revealing stronger hydrophobic interactions and hydrogen bonding in the metal complexes, correlating with their superior biological activity. These findings highlight the potential of FePSD and CoPSD as promising antimicrobial and anti-inflammatory agents.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126594"},"PeriodicalIF":5.3,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756642","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}
Jovana Milutinov , Veljko Krstonošić , Dejan Ćirin , Miroslav Hadnađev , Maja Đanić , Nebojša Pavlović
{"title":"Development and evaluation of quercetin topical emulgels: Physicochemical and rheological properties, stability and sun protective potential","authors":"Jovana Milutinov , Veljko Krstonošić , Dejan Ćirin , Miroslav Hadnađev , Maja Đanić , Nebojša Pavlović","doi":"10.1016/j.molliq.2024.126568","DOIUrl":"10.1016/j.molliq.2024.126568","url":null,"abstract":"<div><div>Quercetin is a lipophilic natural compound that exerts various pharmacological effects such as antioxidant and anti-inflammatory, which are important in preventing skin damage by UV radiation. Emulgels are semisolid dosage forms which consist of a mixture of emulsion and gel, used for delivery of lipophilic substances. The aim of this study was to formulate a UV-protective emulgel of quercetin with proper physical and rheological properties and to examine the influence of excipients on emulgel characteristics. Eight emulgels containing 0.5 % quercetin were prepared with 0.25 % and 0.75 % carbomer 940, 10 % and 20 % castor oil and 1.5 % and 3 % Tween® 20/Span® 20 mixture (1:2). Emulgels were evaluated for their physical appearance, rheology, stability, drug release, occlusivity, and UV-protective effects. The proportion of gelling agent was the predominant factor in determining the rheological properties and the release of quercetin, while the concentration of oil phase had the greatest impact on occlusivity. Emulgels had SPF values ranging from 2.5 to 3.2 and considerable antioxidant activity. The formulation composition significantly affected the characteristics of emulgels, and to a lesser extent the UV-protective activity. Emulgel with 0.75 % gelling agent, 10 % oil phase and 1.5 % emulsifier can be considered as the optimal quercetin emulgel formulation.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126568"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698074","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}
Mahmoud G. Hamed, Ghada M. Rashad, Shereen F. Abo-Zahra, Walaa R. Mohamed, H.M.M. Abo Eldahab, Emad H. Borai
{"title":"Efficient in situ synthetic routes of the polymeric composite containing clinoptilolite using ultrasonic assistance for sorption of some lanthanides","authors":"Mahmoud G. Hamed, Ghada M. Rashad, Shereen F. Abo-Zahra, Walaa R. Mohamed, H.M.M. Abo Eldahab, Emad H. Borai","doi":"10.1016/j.molliq.2024.126567","DOIUrl":"10.1016/j.molliq.2024.126567","url":null,"abstract":"<div><div>The ultrasound assistance synthesis strategy of the polymeric composite is based on free radical polymerization of polyallylamine hydrochloride (PAH) cationic polyelectrolyte, with vinyl sulfonic acid (VSA) anionic monomer with microporous crystalline alumino silicate clinoptilolite clay. The P(AH-co-VSA)/clinoptilolite polymeric composite was fully characterized by fourier transform infrared spectroscopy, energy dispersive X-ray, thermogravimetric analysis, and scanning electron microscope. FTIR demonstrated the presence of PAH and VSA, confirming the composition of the prepared composite. It was also used to map the energy-dispersive X-ray to affirm the interdependence of the clinoptilolite into the polymeric matrix. Consequently, the physicochemical characteristics of this copolymer may be adjusted using VSA and PAH suitable combinations. Batch experiments were applied and maximal sorption capacities for studied ions Nd<sup>3+</sup>, Ce<sup>3+</sup>, Y<sup>3+</sup>, Gd<sup>3+</sup>, and Eu<sup>3+</sup> were 36.6, 50.2, 55.9, 57.2, and 57.7 mg/g, respectively. Sorption kinetics and equilibrium isotherm were conducted. Experimental isotherms of studied ions were successfully fit to pseudo-second-order model, langmuir isotherm model. The Dubinin–Radushkevich (D–R) isotherm was found to be applicable and suggesting that, the sorption occurs via a ion exchange reaction. The breakthrough data were measured in a fixed bed column, and variable process factors were examined, including bed depth, flow velocity, and initial metal ion concentration. The experimental work was then focused, for continuous investigations, on Ce<sup>3+</sup>, Eu<sup>3+</sup>, and Y<sup>3+</sup> to represent light, intermediate, and heavy lanthanides respectively. The overall bed capacity and total metal ion adsorption increased when the flow rate increased. They reduced with rising initial metal ion concentration and bed depth, and reached 22.8, 31.4, and 28.5 mg/g for Ce<sup>3+</sup>, Eu<sup>3+</sup>, and Y<sup>3+</sup> metal ions, respectively.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126567"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743422","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}
Ahmed Elgendy , Ankita Saha , Arpan Mal , Soumen Ghosh , D. Gerrard Marangoni
{"title":"1H and 2D-DOSY study of the micellar properties of a viscoelastic surfactant (cetyltrimethylammonium p-toluenesulfonate) and its physicochemical interactions with a carbohydrate based polymer (sodium alginate)","authors":"Ahmed Elgendy , Ankita Saha , Arpan Mal , Soumen Ghosh , D. Gerrard Marangoni","doi":"10.1016/j.molliq.2024.126570","DOIUrl":"10.1016/j.molliq.2024.126570","url":null,"abstract":"<div><div>The self-assembly of a long chain cationic surfactant (cetyltrimethylammonium p-toluene sulfonate or CTAT) and its interaction with a carbohydrate-based polymer (sodium alginate) was investigated by measuring the <sup>1</sup>H-chemical shifts and the diffusion coefficients of the surfactant by itself and mixed with the polymer in solution at 298.2 K. Firstly, the self-assembly of the surfactant was investigated by measuring both the <sup>1</sup>H-chemical shifts and diffusion coefficients from 2D-DOSY experiments as a function of the concentration of the amphiphile in deuterium oxide. An analysis of the chemical shifts and the diffusion coefficients of both the amphiphile ion and the counterion were consistent with two self-assembly processes occurring in solution: an initial self-assembly of the surfactant into spherical micelles with a transition to rodlike micelles occurring at a higher amphiphile concentration. The counterion diffusion coefficients from the 2D-DOSY experiments were used to calculate the fraction of counterions associated with the aggregates as the self-assembly evolved between the two types of aggregates. In the case of the polymer/surfactant system, the condensation of the surfactants onto the anionic carbohydrate polymer is a complex process involving a strong-cooperative binding of the amphiphile ions to the polymer and an equilibrium between spherical micelles, rod-like micelles, free surfactant, and the complex depending on the polymer concentration in solution.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126570"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142724039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Impact of components of biorelevant media on solubilization of methotrexate and sulfasalazine by Pluronic F127","authors":"M.A. Agafonov, I.V. Terekhova","doi":"10.1016/j.molliq.2024.126573","DOIUrl":"10.1016/j.molliq.2024.126573","url":null,"abstract":"<div><div>Pluronics are micelle-based solubilizers, improving the therapeutic potential of orally administrated drugs. In this connection, solubilizing action of Pluronics is being intensively studied in standard buffers simulating gastrointestinal fluids and consisting of inorganic components. However, human gastrointestinal fluids have more complicate composition due to the presence of organic compounds such as enzymes, mucus, and bile, which are able to form supramolecular aggregates and influence the solubilizing effect of Pluronics. Therefore, the use of specially designed biorelevant media is a promising approach to assessing the effectiveness of solubilizing activity of Pluronics <em>in vitro</em>.</div><div>Based on this, we studied the solubilization of poorly soluble methotrexate and sulfasalazine, which are used in the treatment of autoimmune and oncological diseases, by Pluronic F127 in Fasted State Simulated Gastric Fluid and Fasted State Simulated Intestinal Fluid. Taurocholic acid and lecithin being the main components of these biorelevant media form micelles and thereby enhance the solubility of drugs that are insoluble or sparingly soluble in water. The affinity of drugs under consideration to the micelles of different nature, which are present in the dissolution medium, is examined in this work. The possible competing interactions of drug-micelle and drug-unimer are discussed in terms of the ionization state of drug molecules and the nature of surfactants.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126573"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142724040","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}
U.V. Chervonova, N.G. Bichan, A.A. Ksenofontov, M.S. Gruzdev
{"title":"Heterofunctional β-diketones incorporating ester linkages: Mesomorphism and solvatochromic effect","authors":"U.V. Chervonova, N.G. Bichan, A.A. Ksenofontov, M.S. Gruzdev","doi":"10.1016/j.molliq.2024.126572","DOIUrl":"10.1016/j.molliq.2024.126572","url":null,"abstract":"<div><div>In this work a series of mesogens derived from 4-(4-octyloxybenzoyloxy)benzoic acid were synthesized and characterized. They acted as the main reagents in the Claisen condensation reaction to obtain a heterofunctional <em>β</em>-diketone containing both mesogenic long alkyloxybenzoic fragment and carbazole derivatives as chromophore unit in its structure. The results of the study of phase behavior showed that the synthesized elongated derivatives, including 4-(4-octyloxybenzoyloxy)benzoic acid as a key precursor for further modification, exhibit an enantiotropic mesomorphism, SmA and nematic mesophases, whereas the target <em>β</em>-diketone shows SmA mesophase only upon cooling from the isotropic melt. In addition, <em>β</em>-diketone demonstrates bright emission in the solvents of different polarity and in the solid state. The fluorescence quantum yield reaches values from 14 to 64 % depending on the nature of the solvent.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126572"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142724038","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}
Giulia Adriana Bracchini , Simone Di Muzio , Francesco Trequattrini , Oriele Palumbo , Annalisa Paolone , Fabio Ramondo
{"title":"Fatty acid and alcohol based low melting mixtures: The role of intermolecular interactions by DFT and infrared spectroscopy","authors":"Giulia Adriana Bracchini , Simone Di Muzio , Francesco Trequattrini , Oriele Palumbo , Annalisa Paolone , Fabio Ramondo","doi":"10.1016/j.molliq.2024.126590","DOIUrl":"10.1016/j.molliq.2024.126590","url":null,"abstract":"<div><div>DFT calculations and infrared spectroscopy are exploited in the present work to study two low melting mixtures obtained by mixing tetrabultylammonium trifluoromethanesulfonate (TBATFO) with two fatty compounds, 1-octanol (C8OH) and octanoic acid (C7COOH). This choice allows the investigation of the role of the TFO anion, that has an asymmetric structure with two potential Hydrogen Bond Acceptor (HBA) groups, sulfonate (SO<sub>3</sub><sup>−</sup>) and trifluoromethyl (CF<sub>3</sub><sup>−</sup>) groups, when mixed with two organic compounds having an alkyl chain of similar length but with Hydrogen Bond Donor (HBD) groups of different force, hydroxyl and carboxylic groups. The obtained results and topological properties indicate that generally the acid promotes a more efficient hydrogen bond with the TFFO anion in comparison with the octanol. Moreover, the long and amphiphilic alkyl chains of fatty alcohols and acids allow to shed light on the role of the van der Waals interactions between alkyl tails, which are found to be fundamental, together with the hydrogen bonding between the components, in determining the properties of this kind of systems.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126590"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723862","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}
Filipe Smith Buarque , Mariel Alkindar Soares , Bernardo Dias Ribeiro , Isabel M. Marrucho
{"title":"Development of hydrophobic eutectic solvents composed of DL-menthol and fatty acids/alcohols: Application in the extraction of capsaicinoids and carotenoids from Capsicum frutescens","authors":"Filipe Smith Buarque , Mariel Alkindar Soares , Bernardo Dias Ribeiro , Isabel M. Marrucho","doi":"10.1016/j.molliq.2024.126591","DOIUrl":"10.1016/j.molliq.2024.126591","url":null,"abstract":"<div><div>The aim of this work was to evaluate the use of DL-menthol as a eutectic solvent (ES) forming component with fatty acids (C<sub>8</sub> to C<sub>18</sub> acids) and alcohols fatty (C<sub>8</sub>OH to C<sub>12</sub>OH) and to identify the differences arising from the chirality between the racemic (DL-menthol) and the pure isomer (L-menthol). Moreover, the extraction of metabolite compounds from <em>Capsicum frutescens</em> using dried and water-saturated solvent was also investigated. The results obtained from the solid–liquid phase equilibria (SLE) diagrams showed the same eutectic point (0.2 M fraction for menthol) for both isomers. However, in both diagrams (melting and crystallization temperature) the DL-menthol-based ES exhibited a different solids line than the pure isomer at different temperatures, probably due to the D-isomer in the racemic mixture. The water content for DL-menthol: acids or fatty alcohols was very low, showing a range of 404–1067 ppm for the dried ones. For those water-saturated, values between 17,316 and 29,181 ppm were observed. Thermo-physical properties can provide important insights into intermolecular interactions and the ES structure. The density and viscosity values for these hydrophobic solvents were lower than most hydrophilic analogue solvents. Finally, these hydrophobic ES were applied to the extraction of carotenoids and capsaicinoids. The extraction efficiency values for carotenoids were higher than those for capsaicin due to the higher hydrophobicity of this compound. Furthermore, higher extraction values were also observed for water-saturated ES.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126591"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743409","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":"Molecular-level analysis of alkyl chain dependent voltage-induced microfluidic alcohol droplet actuation on Teflon/Pt/glass substrate: Revealing the unconventional directional movement","authors":"Debopam Bhattacharya , Subhadip Chakraborty , Ditipriya Hazra , Amlan Roychowdhury , Anupam Karmakar , Sanatan Chattopadhyay","doi":"10.1016/j.molliq.2024.126576","DOIUrl":"10.1016/j.molliq.2024.126576","url":null,"abstract":"<div><div>Current study investigates the voltage-induced actuation of alcohol droplets on a Teflon/Pt/Glass substrate, emphasizing the influence of alkyl chain length on microfluidic droplet behavior. The wetting and electrowetting properties of different alcohols with increasing carbon chain length, namely, methanol, ethanol, 1-propanol, and 1-butanol, are examined by using both experimental techniques and the simulations of classical molecular dynamics (MD). An increase in the wetting nature of these alcohol droplets is observed with the increase in carbon chain length. A greater penetration into the Teflon surface is observed for alcohols with longer alkyl chain lengths from MD simulations. The evaporative nature of alcohol droplets and the consequent effect of evaporation on wetting are also examined. Voltage-modified change in contact angle, droplet displacement or spreading, and voltage-induced work of spreading, are investigated to study the actuation of such alcohol droplets. A unique, voltage-triggered directional displacement/spreading of the droplets towards ground electrode is observed, in contrast to the conventional electrowetting behavior. These insights underscore the influence of molecular interactions in voltage-actuated droplet dynamics, having significant implications as a design parameter in the development of digital microfluidics-based lab-on-a-chip devices.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126576"},"PeriodicalIF":5.3,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723907","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":"Supercritical carbon dioxide thickening for enhanced oil recovery: Methods, mechanisms, challenges, and outlook","authors":"Liyuan Zhang , Mkhitar Ovsepian , Chengdong Yuan","doi":"10.1016/j.molliq.2024.126563","DOIUrl":"10.1016/j.molliq.2024.126563","url":null,"abstract":"<div><div>Supercritical carbon dioxide (sc-CO<sub>2</sub>) for enhanced oil recovery has gained increasing importance recently, driven by the growing interest in carbon capture, utilization, and storage, which plays a crucial role in mitigating the greenhouse effect. However, the lower viscosity of sc-CO<sub>2</sub> compared to crude oil has led to challenges such as viscous fingering and gas channeling along high-permeability zones, limiting its widespread application in oilfields. Since the 1990s, researchers have begun utilizing thickeners to increase sc-CO<sub>2</sub> viscosity, and significant progress in both theoretical understanding and technical implementation has been made in recent years. In this work, we review methods for thickening sc-CO<sub>2</sub> using different thickeners, including polymers, surfactants, small molecule compounds, and nanoparticles, outlining their thickening mechanisms and focusing on the differences in thickening processes and intra-molecular interactions. Additionally, we highlight advanced techniques like molecular dynamics simulations and quantum chemical calculations that are used to study these mechanisms. Based on our comprehensive review, we identify challenges in sc-CO<sub>2</sub> thickening and propose promising directions for future development, offering insights to guide the creation of novel technologies.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126563"},"PeriodicalIF":5.3,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723905","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}