Article
Engineering, Chemical
Filipa A. Vicente, Leonor S. Castro, Dibyendu Mondal, Joao A. P. Coutinho, Ana P. M. Tavares, Sonia P. M. Ventura, Mara G. Freire
Summary: Immunoglobulin Y (IgY) was purified from egg yolk using a biocompatible and cost-effective downstream process. Thermoresponsive aqueous micellar two-phase systems were applied to achieve high purity extraction of IgY in a single step.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Engineering, Environmental
Maria S. Alvarez, Maria A. Longo, Ana Rodriguez, Francisco J. Deive
Summary: In this research, the suitability of sodium potassium tartrate as an organic salt to promote phase segregation in a model soil washing solution containing biodegradable non-ionic surfactants and heavy metals was demonstrated. The aqueous two-phase systems were characterized and analyzed at room temperature, and high extraction percentages of heavy metals were observed. The extraction process was included in the soil washing process at real scale and simulated using SuperPro Designer software.
JOURNAL OF WATER PROCESS ENGINEERING
(2023)
Article
Engineering, Chemical
Lidia Cristina Alves Camelo, Gabriela de Souza Dias Santos, Ranyere Lucena de Souza, Cleide Mara Faria Soares, Jorge Fernando Brandao Pereira, Alvaro Silva Lima
Summary: A series of new aqueous two-phase systems composed of polymers and protic ionic liquids were developed for the concentration, partition and/or purification of biomolecules, with a focus on pre-purifying genipin from genipap. The optimal system exhibited a purification factor of 6.03 for genipin.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Yuntao Tang, Yige Zhang, Xi Chen, Xiaowen Xie, Ning Zhou, Zhifeng Dai, Yubing Xiong
Summary: Thermally induced reversible up/down migration of poly(ionic liquid)s in aqueous two-phase systems was achieved for the first time in this study. The upper and lower phases of the systems could be easily tuned using the grafting degree of modified poly(ionic liquid)s, and a reversible two-phase/single-phase transition was realized under UV irradiation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Yanrong Cheng, Wenlin Xu, Yaqiong Wang, Xia Guo
Summary: In this study, a water-soluble calixarene, p-sulfonatocalix[4]arene (SC[4]), was used as an adjuvant to improve the performance of the PEG 600/(NH4)(2)SO4 ATPS through multiple interactions. It was found that the formation of the ATPS was enhanced and the transfer of the target molecules into the polymer phase was promoted when SC[4] and SC[4]/imidazole ionic liquid ([C(n)mim]Br) complex were used as the adjuvants.
Review
Biochemistry & Molecular Biology
Lirong Nie, Ziwei Zheng, Mingxia Lu, Shun Yao, Dong Guo
Summary: This article summarizes the phase behavior of IL-based ATPSs in chemical reactions and separation processes, and highlights the possible future directions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Helin Xu, Xueqin Li, Yanyan Hao, Xiaobin Zhao, Yun Cheng, Jinli Zhang
Summary: In this study, efficient separation of acteoside from crude extracts of Cistanche tubulosa was achieved using an ionic liquid-based aqueous two-phase system. The combination of [C4mim]BF4 and (NH4)2SO4 showed excellent extraction performance for acteoside, providing valuable insights for future applications.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Nozomi Watanabe, Shuto Watase, Nanaki Kadonishi, Yukihiro Okamoto, Hiroshi Umakoshi
Summary: A catanionic surfactant system is a self-assembling system composed of cationic and anionic surfactants. This study systematically characterized two types of catanionic surfactant systems and found differences in their phase transition behavior and membrane properties.
Article
Agricultural Engineering
Huang-Fei Jin, Ying Shi, Min-Zhen Shi, Jun Cao, Li-Hong Ye
Summary: In this study, a simple, high-efficiency and eco-friendly enrichment method using an ionic liquid-assisted aqueous two-phase system was proposed for the enrichment of multiple monosaccharides. The optimal conditions for the enrichment were determined by optimizing various parameters. The established method showed good linearity and high sensitivity, and successfully extracted and enriched monosaccharides from jujube.
INDUSTRIAL CROPS AND PRODUCTS
(2023)
Article
Chemistry, Physical
Dong Dai, Bobo Cao, Xiao-Lei Hao, Zhi-Hong Li, Zhi-Wu Yu
Summary: Macroscopic scale freestanding 2DCs were discovered in the aqueous dispersions of [Cnmim]X (X = Br, NO3; n = 14, 16, 18) using synchrotron small-and wide-angle X-ray scattering techniques. This unusual phenomenon is attributed to the weak interactions between imidazole headgroups and counterions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Nuria Mouronte, Francisco J. Deive, Maria A. Longo, Ana Rodriguez, Maria S. Alvarez
Summary: The ability of a biodegradable Deep Eutectic Solvent (DES) to induce phase segregation in aqueous solutions of polymeric non-ionic surfactants has been investigated for assisting a biological degradation process of a model contaminant. The results showed that this approach was highly efficient, with extraction percentages exceeding 99% for two model persistent contaminants. Therefore, it is proposed as an extra-stage to enhance the remediation percentages achieved through biological methods.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Analytical
Yicong Wang, Shanshan Wang, Leilei Liu
Summary: This study developed and studied diverse ILATPS systems for the extraction of geniposidic acid and aucubin, revealing that the alkyl side chains of ILs contribute to ATPS formation. The performance of potential salts in phase separation was compared, and single-factor experiments were conducted to investigate extraction parameters. Under optimal conditions, high extraction efficiency and partition coefficient were achieved. Additionally, recycling of IL without organic solvents and theoretical references for similar extractions were explored.
MICROCHEMICAL JOURNAL
(2021)
Article
Engineering, Chemical
Ana M. Ferreira, Maria V. Quental, Mukesh Sharma, Dibyendu Mondal, Augusto Q. Pedro, Joao A. P. Coutinho, Mara G. Freire
Summary: Early infection diagnosis is essential for reducing morbidity and mortality rates. A study investigated the use of aqueous biphasic systems (ABS) composed of polypropylene glycol 400 and cholinium-based ionic liquids (ILs) at different pH values for pre-treating human serum, aiming to separate DNA from human serum albumin (HSA) to improve the accuracy of DNA quantification. The ABS demonstrated high extraction efficiencies of DNA to the IL-rich phase, with minimal DNA loss. It was found that adjusting the pH allowed for selective isolation of DNA from HSA. The IL-rich phase of the ABS was shown to maintain DNA integrity and could potentially serve as a DNA storage medium.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Ying Li, Xiaoli Li, Xueyan Wang, Jiaojiao Xue, Rui Zhang, Yi Ding, Xiuling Chu, Jianqing Su
Summary: This study developed a new green method for extracting and purifying polyphenols from Acanthopanax senticosus using ionic liquids as aqueous two-phase adjuvants. An ionic liquid-assisted aqueous two-phase system was established, and the purification of the polyphenols was conducted using AB-8 macroporous resin. The results showed that the IL-ATPS system with [OMIM]Br-assisted ethanol/NaH2PO4 as the extraction solvent had the highest extraction rate of polyphenols.
Article
Thermodynamics
Filipe H. B. Sosa, Ilkka Kilpelainen, Joao Rocha, Joao A. P. Coutinho
Summary: This study found that aqueous two-phase systems (ATPS) can be effective in the purification and recovery of ionic liquids (IL). The liquid-liquid phase equilibria of ATPS consisting of [mTBNH][OAc] and potassium salts (K2CO3 and K3PO4) were investigated, and it was found that both systems showed high IL partition coefficients (k) and achieved a high recovery of ionic liquid. The study also discovered a negative impact of potassium salt on IL cellulose dissolution capability and successfully removed potassium salt from the IL using a nanoporous sodium zirconium cyclosilicate (ZS-9 or AV-13).
FLUID PHASE EQUILIBRIA
(2023)
Article
Chemistry, Physical
Laura Gonzalez, Francisco J. Deive, Ana Rodriguez, Maria A. Longo, Maria S. Alvarez
Summary: The study demonstrated the ability of different sodium-based salts to salt out aqueous solutions of biodegradable non-ionic surfactants, and investigated the impact of phase forming components on lipolytic activity. Comparisons were made between the extraction capabilities of the proposed systems and a commercial lipase, showing that a 50% activity decay could be avoided with the use of in-house extreme enzymes.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Chemical
Andrea Fernandez, Maria A. Longo, Francisco J. Deive, Maria S. Alvarez, Ana Rodriguez
Summary: This study demonstrated that a natural deep eutectic solvent (DES) composed of cholinium chloride and glucose is a suitable liquid support for immobilizing lipolytic enzymes, with the ability to efficiently extract enzymes from aqueous solutions. Operating at low water contents can achieve about 70% extraction efficiency to the DES-rich phase.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Biotechnology & Applied Microbiology
Marta A. A. Vargas, Francisco J. J. Deive, Maria S. S. Alvarez, Maria A. A. Longo, Ana Rodriguez, Claudia Bernal, Ronny Martinez
Summary: The production of Human tryptophan hydroxylase (TPH1) in Escherichia coli was studied for the synthesis of 5-hydroxytryptophan (5-HTP) from Tryptophan (Trp). A fluorescence-based microtiter plate assay was established to quantify TPH1 activity. It was found that high agitation and low aeration allowed for maximum enzyme activity, and the addition of Tween 20 expanded the pH operation range of TPH1.
ENZYME AND MICROBIAL TECHNOLOGY
(2022)
Article
Green & Sustainable Science & Technology
Andrea Fernandez, Maria A. Longo, Francisco J. Deive, Maria S. Alvarez, Ana Rodriguez
Summary: The present study demonstrates the suitability of a natural deep eutectic solvent (DES) composed of glucose and cholinium chloride for both lipase extraction and enhancement of biodiesel production. By carefully selecting the feed composition, almost 100% extraction of Candida antarctica lipase B (CALB) to the DES-rich phase was achieved. Furthermore, using DES as a coadjuvant in CALB-catalyzed glycerol-free transesterification resulted in significantly higher biodiesel conversions compared to conventional ionic liquids or control reactions without coadjuvants.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Engineering, Environmental
Nuria Mouronte, Maria S. Alvarez, Francisco J. Deive, Ana Rodriguez
Summary: The use of aqueous solutions of non-ionic surfactants is proposed for the ex-situ remediation of PAH-polluted soils. The effectiveness of potassium-based inorganic salts as PAHs extractants is evaluated and a viable removal strategy is determined using tie-line determination. It is found that combining K3PO4 with Tergitol 15-S9 aqueous solutions is efficient in removing the selected PAH pollutants. The process is simulated at real scale using SuperPro Designer v.8.5.
JOURNAL OF WATER PROCESS ENGINEERING
(2022)
Article
Chemistry, Physical
Laura Gonzalez, Maria A. Longo, Maria S. Alvarez, Ana Rodriguez, Francisco J. Deive
Summary: In this study, biocompatible ionic liquids based on aminoacids were used as extractants to separate extremolipases from aqueous streams. The combination of thermophilic enzyme with cholinium glycinate was found to be the most effective for improving bio-catalytic performance. The salting out capacity of the ionic liquid in aqueous solutions of biodegradable surfactants was discussed, and the extraction of lipases from water was successfully achieved using the ionic liquid.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Maria S. alvarez, Miguel Rivas, Francisco J. Deive, Ana Rodriguez
Summary: The physical properties of choline glycylglycinate (ChGlyGly) were experimentally determined and the empirical values of density, refractive index, speed of sound and dynamic viscosity for aqueous and methanolic mixtures of this ionic liquid were ascertained at different temperatures. The derived values of the neat ChGlyGly and the corresponding mixtures were calculated. Polynomial fittings and Redlich-Kister model were used to describe the obtained and derived data, respectively. It is the first time that the density of the mixtures has been successfully predicted at several temperatures using different models.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Maria S. Alvarez, Francisco J. Deive, Maria A. Longo, Ana Rodriguez, Luisa Segade, Oscar Cabeza
Summary: The biocompatibility of deep eutectic solvents (DESs) based on cholinium dihydrogen phosphate in lipase-catalyzed reactions has been demonstrated. This study focuses on the characterization of DES- methanol cosolvents for transesterification processes. Different physical properties, such as density, refractive index, electrical conductivity, and dynamic viscosity, were measured and analyzed. The study also discovered an unusual peak in ionic conductivity at high methanol concentration, difficult to explain with current theoretical models.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Environmental
Maria S. Alvarez, Maria A. Longo, Ana Rodriguez, Francisco J. Deive
Summary: In this research, the suitability of sodium potassium tartrate as an organic salt to promote phase segregation in a model soil washing solution containing biodegradable non-ionic surfactants and heavy metals was demonstrated. The aqueous two-phase systems were characterized and analyzed at room temperature, and high extraction percentages of heavy metals were observed. The extraction process was included in the soil washing process at real scale and simulated using SuperPro Designer software.
JOURNAL OF WATER PROCESS ENGINEERING
(2023)
Article
Thermodynamics
L. Gonzalez, Maria S. Alvarez, Ana Rodriguez, Maria A. Longo, Francisco J. Deive
Summary: This study focuses on the viability of investing in a novel biocatalytic complex that combines extremophilic lipases and biocompatible ionic liquids. The research demonstrates the effectiveness of immobilized thermophilic lipase in achieving high conversions in transesterification reactions without generating glycerol. This highlights the potential of biocatalytic solutions to revolutionize sustainable energy production.
ENERGY CONVERSION AND MANAGEMENT-X
(2023)
Article
Thermodynamics
Haolei Yang, Xiaoqiang Bian, Lianguo Wang
Summary: A new association model, CPA-MHV1, combining the SRK equation of state with the CPA equation based on Michelsen's improved Huron-Vidal mixing rule, is developed. The model is used to investigate the vapor-liquid equilibrium of binary mixtures involving CH4, CO2, and H2O, as well as ternary mixtures containing NaCl. The results show that considering the solvation between CO2 and H2O yields the best performance, while CH4 with a pseudo-association scheme has the highest comprehensive prediction performance.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Vikas K. Sinha, Atanu K. Metya, Chandan K. Das
Summary: In this study, the solid-liquid coexistence curve for water was developed using coarse-grained mW and machine-learned ML-BOP water models. The ML-BOP model exhibited lower densities, a broader density-temperature hysteresis loop, and higher free energy compared to the mW model. The pressure dependence fusion curve for both models aligned with previous literature. This analysis demonstrates that the free energy method accurately captures the solid-liquid transformation and the thermodynamic melting point of water.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Curtis Hays Whitson
Summary: This article tells the story of an extraordinary individual who made numerous and valued contributions, portrayed through a few images and short stories.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Joe Hajjar, Sabine Enders
Summary: A generalized theoretical framework is introduced for multicomponent reactive nonuniform systems, combining the modified and generalized Cahn-Hilliard equation with a chemical kinetics model. The framework allows for the modelling and investigation of the combined reaction and diffusion in reactive liquid-liquid systems. It is found that for reacting mixtures with much smaller reaction rates than diffusion rates, the mixture will remain in phase equilibrium upon reaction and the interfacial chemical reaction will not affect the overall system dynamics, which are only influenced by the kinetics of the bulk phases.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Keycianne da Cruz Silva, Leticia Daniela de Souza, Vinicius Azevedo Gomes, Leandro Rodrigues de Lemos
Summary: Phase diagrams of four aqueous two-phase systems were determined experimentally, and conclusions were drawn regarding the effect of temperature on system enthalpy change and the influence of macromolecules on phase separation.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Yuanqing Wu, Shuyu Sun
Summary: The sparse-grid guided PINN training method improves the accuracy of the PINN surrogate model by rearranging collocation points and reduces the training time complexity. Experimental results demonstrate its clear advantages in terms of convergence, stability, and accuracy.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Peter Englezos
Summary: This article discusses the research progress and challenges in the field of canonical clathrate or gas hydrate phase equilibria, as well as the application of computational methods and models. It also explores the potential of machine learning techniques in hydrate and thermodynamic calculations.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Ying-Chieh Hung, Shao-Wei Su, Jia-Wei Yan, Gui-Bing Hong
Summary: In this study, VLE data for five binary systems were measured and successfully correlated using models. The predictive models were used to predict the binary VLE phase diagram and explain the mechanism of separation efficiency. The strength of electrostatic interactions and temperature-dependent separation behavior were determined through the analysis of molecular surface charge distribution.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Matevz Turk, Tomaz Urbic
Summary: By molecular dynamics and Monte Carlo simulations, this study determined the regions and hierarchy of anomalies in a purely repulsive core-softened system. It was found that in two dimensional systems, a size of 100 particles is sufficient for obtaining accurate details.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Adnan Jaradat, Rakan Al-Salman, Abdalla Obeidat
Summary: The vapor-liquid equilibrium of six primary alcohols were studied using molecular dynamics simulations and compared with experimental results. The study found that neglecting the Lennard-Jones interaction significantly reduced the critical temperature values and determining the critical temperature using surface tension gave more accurate results. The TraPPE-UA potential field showed good accuracy in predicting the critical temperature.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Michele Valsecchi, Amparo Galindo, George Jackson
Summary: The thermodynamic properties of aqueous mixtures of polyethylene glycol (PEG) are described using the SAFT-gamma Mie group-contribution equation of state. The model successfully predicts the miscibility gaps in a temperature range and shows good agreement with experimental results.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Roman Tomaschitz
Summary: Analytic closed-form expressions for the liquid and vapor saturation densities defining the coexistence curve are obtained. The coexistence curves of nitrogen, ethene, and sulfur hexafluoride are derived using high-precision data, and the critical power-law scaling of the order parameter and coexistence-curve diameter is examined. The Log-Log slopes of various quantities are used to determine the ideal power-law scaling regime and illustrate the slope evolution in the subcritical regime.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nivaar Brijmohan, Kuveneshan Moodley, Caleb Narasigadu
Summary: An artificial neural network-based QSPR model was developed to estimate binary interaction parameters for the temperature-dependant form of the NRTL model. This model serves as a supplement to overcome limitations of group contribution methods in solvent screening and has been proven to be effective in improving the robustness of the screening process.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Marco Campestrini, Paolo Stringari, Salem Hoceini
Summary: In this paper, the solubility of benzene in different phases of methane was predicted using the GERG-2008 equation of state and the Gibbs free energy equation. The obtained results were in good agreement with experimental data and emphasized the significance of accurately representing the density of the fluid phase for predicting the solubility of solids in fluids.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, Ioannis G. Economou
Summary: This paper discusses theoretical considerations on electrolyte thermodynamic models for single and mixed solvent solutions. The authors find that there is no consensus among researchers on many fundamental issues in this field. They point out the need to convert electrolyte terms to the framework of the physical model and emphasize the importance of the Born term for liquid-liquid equilibrium calculations.
FLUID PHASE EQUILIBRIA
(2024)
