Article
Thermodynamics
Max Crowder, Isabel Lizarraga, Joshua D. Patterson, Arun K. Sharma
Summary: Reverse micelles are utilized as nanoreactors for various applications, and their structure and dynamics have been extensively studied. In this study, the arrangement of water and dopants in AOT reverse micelles was investigated using molecular dynamics simulations. The results show that Cl- ions are embedded in the aqueous interior, while K+ ions have a strong affinity for the interface. Multiple layers of water and an ordered multi-layer ionic arrangement driven by the negatively charged surfactant headgroup are confirmed.
FLUID PHASE EQUILIBRIA
(2023)
Article
Chemistry, Multidisciplinary
Ciera M. Wentworth, Alexander C. Castonguay, Pepijn G. Moerman, Caleb H. Meredith, Rebecca Balaj, Seong Ik Cheon, Lauren Zarzar
Summary: This study reports emulsions with a behavior opposite to the typical one where solubilization decreases the interfacial tension and leads to droplet attraction. By adjusting the oil chemical structure, nonionic surfactant structure, and surfactant concentration, three regimes corresponding to droplet attraction, repulsion, or inactivity are identified.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Sunaina, Surinder K. Mehta, Ashok K. Ganguli, Sonalika Vaidya
Summary: This study utilized small-angle X-ray scattering technique to investigate the effect of surfactant structure on the shape, size, and structure of reverse micelles in water-in-oil microemulsions. Different surfactant types formed reverse micelles of different shapes, and appropriate models were selected to fit the SAXS data.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Applied
Carlos E. A. de Melo, Moises Dominguez, Marcos C. Rezende, Vanderlei G. Machado
Summary: Solvatochromic dyes, especially Effenberger's dye (ED), have been used to probe the polarity of the medium. Six imine probes inspired by ED were synthesized and characterized, showing positive solvatochromism similar to ED. The study highlights the importance of polarizability in solvation of the dyes.
Article
Biochemistry & Molecular Biology
Angelica Mero, Luca Guglielmero, Lorenzo Guazzelli, Felicia D'Andrea, Andrea Mezzetta, Christian Silvio Pomelli
Summary: Solvatochromic probes are commonly used to study solvent environments at the molecular scale. The interaction between the cation of ionic liquids and probes can reveal specific properties, which can be elucidated through computational and experimental investigations.
Article
Chemistry, Physical
David Navarro-Aquino, Milton Medeiros
Summary: The Gibbs energy and enthalpy of micellization for C8E5 were successfully predicted using molecular dynamics simulations. The simulation results were in good agreement with experimental data, and could be used to predict critical micelle concentration and mean aggregation number.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Applied
Carlos E. A. de Melo, Celso R. Nicoleti, Misael Ferreira, Miria C. dos Santos, Adrian Kreuz, Felipe S. S. Schneider, Robson da S. Oliboni, Giovanni F. Caramori, Vanderlei G. Machado
Summary: The investigation explored the use of tert-butyl groups in the electron-donor phenolate groups to tune the interactions between the probe and the solvent. The presence of tert-butyl groups increased the lipophilicity of the dyes and hindered hydrogen bonding with hydrogen bond donating solvents. Molecular dynamics simulations demonstrated the hindering effect of tert-butyl groups on hydrogen bonding with methanol and water solvent molecules.
Article
Biochemical Research Methods
Sandeep Dash, Unmesh D. Chowdhury, B. L. Bhargava
Summary: This study investigates how tailoring the molecular design of surfactants affects their aggregation properties. Molecular dynamics simulations are used to explore the influence of external salts on the aggregation properties of multiheaded surfactants. The results show that the addition of external salts, such as potassium bromide and sodium salicylate, leads to differential aggregation properties of the surfactants. The larger salicylate ion masks repulsion between cationic head groups and promotes aggregation.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Chemistry, Multidisciplinary
Beibei Wang, Tan Liu, Hao Chen, Bangqi Yin, Zhao Zhang, Thomas P. Russell, Shaowei Shi
Summary: Using amphiphilic molecular brushes as surfactants can easily stabilize emulsions and produce structured liquids with exceptional mechanical properties at the oil-water interface. The in situ formation, assembly, and jamming of MBSs offer numerous potential applications, including in chemical biphasic reactions and liquid electronics.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Simon Stemplinger, Magali Duvail, Jean-Francois Dufreche
Summary: The spontaneous packing parameter and bending rigidity of small reverse aggregates similar to reverse micelles in different diluents were investigated using molecular dynamics simulations. Different approaches were applied to determine the packing parameter, and umbrella sampling and fluctuation theory were used to obtain the bending rigidity. The most reproducible methodology revealed a spontaneous packing parameter of 4.6 and an effective rigidity constant of 50 k(B)T per extractant molecule.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Maisa Vuorte, Susanna Kuitunen, Paul R. Van Tassel, Maria Sammalkorpi
Summary: An equilibrium state model is presented for the aggregation and adsorption of colloidal assemblies in apolar solvents, based on the step-wise aggregation response of fatty acids and monoglycerides in bio-oils. The model captures surface crowding and demonstrates the sensitivity of key observables to model parameters. Fits to molecular modelling data reveal that the model accurately reproduces chemically specific aggregate exponential distributions. The model provides an easily accessible means to estimate colloidal assembly and adsorption in oil environments.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Min Zhang, Wanli Kang, Hongbin Yang, Zhe Li, Xinxin Li, Bobo Zhou, Xin Kang, Menglan Li, Bauyrzhan Sarsenbekuly
Summary: This study investigates the application of erucic acid amidopropyl-betaine (EDAB) and sodium alkyl sulfate (SDS) in constructing worm-like micelle systems for enhanced oil recovery. The results demonstrate that under specific conditions, the EDAB/SDS system exhibits viscoelastic fluid behavior, forming longer linear worm-like micelles and larger network structures. The rheological properties of the EDAB/SDS system are influenced by pH, temperature, and salt concentration.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Abolfazl Faeli Qadikolae, Sumit Sharma
Summary: Surfactant-metal interactions play a crucial role in corrosion inhibition and synthesis of metallic nanoparticles. In this study, we investigate the adsorption behavior of quaternary ammonium-based surfactant micelles at iron-water interfaces with partially or fully covered adsorbed surfactant molecules using atomistic simulations. We find that a micelle prefers to adsorb on a bare metal patch on a partially covered surface, while on a fully covered surface, it adsorbs on top of already adsorbed molecules and takes on a hemispherical shape. The adsorption free energy decreases with increasing coverage of surfactants on the iron-water interface.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Multidisciplinary
Wang Wan, Lianggang Zeng, Wenhan Jin, Xinxin Chen, Di Shen, Yanan Huang, Mengdie Wang, Yulong Bai, Haochen Lyu, Xuepeng Dong, Zhenming Gao, Lei Wang, Xiaojing Liu, Yu Liu
Summary: A new crystallization-induced emission fluorophore was developed to quantitatively investigate the polarity of aggregated proteins, providing insights into protein status based on changes in solvent polarity; The probe can be used for live cell quantification of aggregated protein polarity, revealing heterogeneity within cellular aggregates and potentially correlating to their biochemical properties and pathogenicity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Biochemistry & Molecular Biology
Lluvia Guerrero-Hernandez, Hector Ivan Melendez-Ortiz, Gladis Y. Cortez-Mazatan, Sandra Vaillant-Sanchez, Rene D. Peralta-Rodriguez
Summary: This paper reviews the importance of surfactants in polymerization reactions, and discusses the synthesis of novel surfactants, micelle formation, and their applications in various fields.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Jorge A. Gutierrez, M. Laura Japas, Juana J. Silber, R. Dario Falcone, N. Mariano Correa
Summary: Through the use of different alcohols in AOT reverse micelles, the study explores the interfacial activity and determines n-pentanol as the best cosurfactant that interacts with SO3- through H-bonds, altering the micellar interface curvature. The findings suggest that F-pentanol forms a polar core in RMs without affecting the AOT RM interface, paving the way for the creation of supercritical RMs without modified surfactants or fluorinated compounds.
Article
Chemistry, Physical
Jessica Otarola, Patricia G. Molina, Mariano Garrido, N. Mariano Correa
Summary: A detailed spectroscopic study was conducted to analyze the interaction between an active principle and a lipid-based drug delivery system. The study found that not all PX molecules were fully incorporated into the carrier system, with some molecules located inside the lipid core and others outside the nanocarrier. Spectroscopic techniques revealed the structural behavior of PX species, indicating that the enolic structure was predominant both inside and outside the NLCs.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Review
Polymer Science
Nahir Dib, Cristian M. O. Lepori, N. Mariano Correa, Juana J. Silber, R. Dario Falcone, Luis Garcia-Rio
Summary: This review discusses the formation and application of biocompatible water-in-oil microemulsions known as reverse micelles (RMs), emphasizing the use of biocompatible non-polar solvents and ionic liquids to create organized systems aligned with Green Chemistry principles. The versatility and importance of RMs in drug delivery and food science are highlighted, with a focus on the modification of properties through changes in surfactant and external solvents. The study emphasizes the need for deep analysis to understand the diverse properties of these novel systems.
Article
Chemistry, Physical
Jorge A. Gutierrez, Juana J. Silber, R. Dario Falcone, N. Mariano Correa
Summary: A simple modified methodology based on cationic reverse micelles was used to obtain gold nanoparticles with different morphologies and surface plasmon resonance. The gold nanoparticles showed clear crystallinity changes on different faces in the same solution, with two well-defined and intense absorption bands, making them potentially useful in cancer treatments through photothermic therapy.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Jhon F. M. Sanchez, Miguel D. Sanchez, R. Dario Falcone, Hernan A. Ritacco
Summary: This study investigated the synthesis of metallic nanoparticles in microemulsions, finding a linear relationship between particle size and reaction rate, rather than a direct correlation with the actual reaction conditions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Analytical
Marcos E. Farias, N. Mariano Correa, Lucas Sosa, Ana M. Niebylski, Patricia G. Molina
Summary: Soybean is the most produced crop in Argentina, with 99% being genetically modified soybean. A new electrochemical immunosensor for detecting CP4 EPSPS in soybean seeds was successfully developed, offering a simple, low-cost, fast, and reproducible device with high sensitivity and a low detection limit.
Review
Chemistry, Multidisciplinary
Nahir Dib, Juana J. Silber, N. Mariano Correa, R. Dario Falcone
Summary: This review describes the latest technology of converting pharmaceutically active ingredients into amphiphilic ionic liquids as alternative drug delivery systems. The compounds generated by ionic exchange show similar or even better surfactant properties compared to their precursors in water. Specific cations and anions have been widely studied as the components of these amphiphiles.
PHARMACEUTICAL RESEARCH
(2022)
Article
Chemistry, Physical
Diana Blach, Valeria R. Girardi, Juana J. Silber, N. Mariano Correa, R. Dario Falcone
Summary: The study investigates the impact of different organized media on the catalytic efficiency of enzyme reactions. It reveals that the catalytic efficiency of an aprotic IL:water mixture is significantly disrupted when confined in a cationic or anionic organized media. This finding holds significant implications for the technological applications of these organized systems.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Physical
Cristian M. O. Lepori, M. Soledad Orellano, N. Mariano Correa, Juana J. Silber, R. Dario Falcone
Summary: In this work, researchers investigated the absorption and emission behavior of a cationic hemicyanine compound in reverse micelles and examined the impact of the microenvironment created by these micelles on their properties as nanoreactors. The results showed significant differences in the photophysical behavior of the compound inside different reverse micelles, highlighting the importance of understanding the interfacial properties for their application as nanoreactors. Furthermore, the researchers evaluated the reverse micelles as reaction media for synthesizing chitosan nanoparticles and found that the microenvironment affected the size and crosslinking of the nanoparticles.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Gustavo A. Monti, R. Dario Falcone, Fernando Moyano, N. Mariano Correa
Summary: In this study, we investigated the influence of water encapsulated in different reverse micelles on the enzymatic hydrolysis of 1-naphthyl phosphate. The results showed that alkaline phosphatase is active in both micellar systems studied, and the Michaelis-Menten kinetic model is applicable. We also found that the behavior of the micelles towards pH and the penetration of external solvents into the interfaces play a crucial role in the enzymatic reaction.
Article
Chemistry, Physical
Soledad Stagnoli, Cintia Garro, Ozlem Ertekin, Susanne Heid, Stefan Seyferth, Gaston Soria, N. Mariano Correa, Aldo Leal-Egana, Aldo R. Boccaccini
Summary: This study developed a system for delivering water-insoluble drugs, which can efficiently load drugs and increase the likelihood of drug uptake by cancer cells instead of healthy cells. The system also demonstrates high efficiency and stability during topical application, and it is less invasive compared to alternative methods.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Organic
Nahir Dib, Valeria R. Girardi, Juana J. Silber, N. Mariano Correa, R. Dario Falcone
Summary: The use of biocompatible solvents instead of toxic solvents in reverse micelles can enhance catalytic efficiency without compromising the performance of the micellar systems. This finding demonstrates that reverse micelles can be a promising alternative for efficient and sustainable chemistry.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2021)
