Article
Pharmacology & Pharmacy
Sonia N. Pedro, Ana T. P. C. Gomes, Parastu Oskoei, Helena Oliveira, Adelaide Almeida, Mara G. Freire, Armando J. D. Silvestre, Carmen S. R. Freire
Summary: This study demonstrates the promising use of deep eutectic solvents (DES) formulations in improving the solubility, stability, and therapeutic efficacy of antibiotics, specifically ciprofloxacin. The developed formulations significantly enhance the susceptibility of bacteria to the antibiotic without promoting resistance, and decrease the toxicity of ciprofloxacin towards human cells.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Engineering, Chemical
Mauro Andrs Parra, Nestor Enrique Cerquera, Claudia Patricia Ortiz, Rossember Eden Cardenas-Torres, Daniel Ricardo Delgado, Maria Angeles Pena, Fleming Martinez
Summary: This research reports the equilibrium solubility of Ciprofloxacin in 13 solvents at different temperatures. The solubility of Ciprofloxacin increases as the temperature rises in all solvents. Different models were used to analyze the solubility behavior and determine the total Hildebrand solubility parameter of Ciprofloxacin.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Environmental Sciences
Naveed Ahmad, Chung-Feng Jeffrey Kuo, Mujahid Mustaqeem, Arumugam Sangili, Chih-Ching Huang, Huan-Tsung Chang
Summary: In order to address the presence of fluoroquinolone antibiotics in aquatic environments, it is necessary to design a semiconductor photocatalyst with excellent photocatalytic efficiency. This study explored the performance of MnNb2O6/g-C3N4 composites in the photocatalytic degradation of ciprofloxacin and tetracycline-HCl antibiotics. The enhanced photocatalytic activity of MNO/g-CN was found to be due to the electron's shifting between the MNO and g-CN sheets, promoting the formation of photo-generated e(-)/h(+) pairs, indicating the existence of a low-waste, high-performance material for eradicating ciprofloxacin and tetracycline-HCl from wastewater.
Article
Chemistry, Physical
Yuan Gao, Jingkang Wang, Hongxun Hao, Yan Xiao, Xin Huang, Min Xia
Summary: The solubility of ceftiofur hydrochloride in various pure solvents and binary solvent mixtures was determined at different temperatures, showing an increase in solubility with temperature. Different models were successfully used to correlate the experimental solubility data in both pure solvents and mixed solvent systems.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Daniel A. Palacio, Bruno F. Urbano, Bernabe L. Rivas
Summary: In this study, nanocomposite polyelectrolytes were used to eliminate emerging contaminants in water. The effects of pH, ionic strength, and adsorbent dose on the removal process were investigated. The results showed that the adsorption kinetics and isotherm models described the process well.
JOURNAL OF WATER PROCESS ENGINEERING
(2022)
Article
Chemistry, Physical
Fengxin Guo, Qiong Liu, Jiao Sha, Zidan Cao, Yuanhui Chong, Yu Li, Tao Li, Baozeng Ren
Summary: The solubility of amitriptyline hydrochloride (AMT) (Form I) in fourteen mono-solvents was determined by laser detection method, showing an increasing trend with temperature. Various thermodynamic models were used to analyze the solubility and dissolution properties of AMT (Form I) in different solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Md Yeunus Mian, Branka Divovic, Dishary Sharmin, Kamal P. Pandey, Lalit K. . Golani, V. V. N. Phani Babu Tiruveedhula, Rok Cerne, Jodi L. Smith, Xingjie Ping, Xiaoming Jin, Gregory H. Imler, Jeffrey R. Deschamps, Arnold Lippa, James M. Cook, Miroslav M. Savic, James Rowlett, Jeffrey M. Witkin
Summary: KRM-II-81 is an active compound with improved pharmacological properties for seizure and pain models in rodents. Its hydrochloride salt exhibits higher water solubility and lower partition coefficient compared to the free base. Oral administration or intravenous dosing of KRM-II-81 results in high concentrations in the brain and plasma, leading to increased anticonvulsant potency.
Article
Chemistry, Multidisciplinary
Catarina T. Antonio, Antonio O. L. Evora, Carlos E. S. Bernardes, Herminio P. Diogo, Gabriel L. B. de Araujo, Pamela Smith, Stephen R. Byrn, Rui Fausto, Manuel E. Minas da Piedade
Summary: This study quantitatively evaluated the thermodynamic stability of Erlotinib hydrochloride (EtbHCl) polymorphs A and B. The results showed that form B is more stable than form A at ambient temperature, and the stability difference is predominantly determined by thermodynamics. The solubility measurements indicated that form A has a significantly higher solubility than form B, suggesting a potential enhancement in bioavailability. Differential scanning calorimetry and microscopy experiments revealed distinct thermal behaviors and structural differences between the two forms.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Dongxu Yi, Yuhang Dong, Qinglin Wang, Juan Wu, Minghui Qi, Guobin Ren
Summary: In this study, the solubility of RTG in ten solvents was measured using UV spectrophotometry. The results showed that the solubility increased with temperature and carbon chain length of the solvents, except for 2-propanol and isopropyl acetate. Six thermodynamic models were fitted to the solubility data, showing a strong correlation. Simulation calculations indicated that H-H and C-H bonds are dominant among RTG molecules, and the solubility of RTG has a positive trend with the increase in viscosity and carbon chain length of the solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Sajid Ali Ansari, Nazish Parveen, Ghayah M. Alsulaim, Anees A. Ansari, Shada A. Alsharif, Kholoud M. Alnahdi, Hasna Abdullah Alali, V. R. M. Reddy
Summary: In this study, NiO nanocubes and NiO-reduced graphene oxide (rGO) nanohybrids were fabricated using a simple hydrothermal method. The NiO-rGO nanohybrids significantly improved the degradation efficiency of antibiotics and exhibited good reusability and stability, making them potential photocatalysts for energy conversion and environmental cleaning.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Physical
Haixia He, Yameng Wan, Renren Sun, Jiao Sha, Yingge Chang, Gaoliang Jiang, Yu Li, Tao Li, Baozeng Ren
Summary: The solubility values of Guanidine hydrochloride in different solvents were experimentally determined, showing an increase in solubility with temperature. Molecular simulation analysis was used to understand the interactions between solute and solvent molecules. The study highlighted the complexity of the dissolution process and the effectiveness of the Apelblat model in correlating solubility data.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Jingyi Zhang, Zidan Cao, Di Fan, Yu Li, Tao Li, Baozeng Ren
Summary: This study reported the solubility and apparent thermodynamic properties of Adiphenine hydrochloride (ADH) (Form I) in twelve mono-solvents. The solubility of ADH (Form I) decreased with decreasing temperature in the same solvent. The NRTL model and modified Apelblat model showed better fitting to the experimental values of solubility. The dipolarity/polarizability of the solvent and the acidity of the hydrogen bonds positively influenced the solubility of ADH (Form I). The dissolution process of ADH (Form I) was found to be an entropy-driven endothermic process based on the van't Hoff equation.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Chemistry, Physical
Haixia He, Xiaoxi Guo, Yameng Wan, Jingwen Zhang, Xinyu Niu, Ruiai Wang, Qing Liu
Summary: This study investigates the dissolution characteristics of guanidine hydrochloride in organic solvents using experimental and simulation methods. The thermodynamic features of the dissolution process are evaluated through the analysis of enthalpy change, entropy change, and Gibbs free energy change.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Renren Sun, Haixia He, Lei Yuan, Jiao Sha, Liyuan Li, Zidan Cao, Gaoliang Jiang, Yu Li, Tao Li, Baozeng Ren
Summary: This study further investigated the solubility properties of dl-isoprenaline hydrochloride (dl-IPN) in four binary-solvent systems using laser monitoring technique. The results showed that dl-IPN is more soluble at higher temperatures and the solubility is increased with higher mass fraction of co-solvent (methanol). Hansen solubility parameters reasonably explained the solubility order of dl-IPN in these binary-solvent systems. Molecular dynamic simulation revealed that the molecular interactions between solute-solvent and solvent-solvent have significant impact on dl-IPN solubility.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Junfeng Teng, Fang Zong, Zhe Zhang, Lili Wang, Xiaoyan Sun, Shuguang Xiang
Summary: In this study, the solubility of Triethylamine hydrochloride (TEA·HCl) in various solvents was measured and analyzed. The results showed that the modified Apelblat model provided the highest correlation. Furthermore, using the Van't Hoff Equation, the thermodynamic parameters of TEA·HCl dissolution were determined, indicating an endothermic and entropy-driven process. The solubility of TEA·HCl increased with temperature, and the solubility order at 298.15 K was Methanol > VC > 2-Propanol > EC > 1-Octanol > DMSO > PC > DMF > MIBK > DMC. Density functional theory calculations and the KAT-LSER model were employed to study the dissolution mechanism and solvent impact, respectively. This work provides valuable data references for the purification of TEA·HCl by crystallization.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Multidisciplinary
Andreia S. L. Gouveia, Egle Malcaite, Elena I. Lozinskaya, Alexander S. Shaplov, Liliana C. Tome, Isabel M. Marrucho
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2020)
Article
Materials Science, Biomaterials
Akel F. Kanaan, Ana P. Piedade, Herminio C. de Sousa, Ana M. A. Dias
Summary: This study synthesized electro-responsive chitosan/ionic liquid-based hydrogels for the first time, aiming to develop biomaterials for controlled release of charged biomolecules. The prepared semi-IPNs showed high mechanical stability and faster permeation and release rates under external electrical stimulus. These hydrogels also exhibited non-haemolytic and strong haemostatic properties, indicating their potential for biomedical applications such as haemostatic dressings and iontophoretic patches.
MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Ala Bazyleva, Jens Abildskov, Andrzej Anderko, Olivier Baudouin, Yury Chernyak, Jean-Charles de Hemptinne, Vladimir Diky, Ralf Dohrn, J. Richard Elliott, Johan Jacquemin, Jean-Noel Jaubert, Kevin G. Joback, Ursula R. Kattner, Georgios M. Kontogeorgis, Herbert Loria, Paul M. Mathias, John P. O'Connell, Wolffram Schroeer, G. Jeffrey Smith, Ana Soto, Shu Wang, Ronald D. Weir
Summary: This article summarizes the potential value of measured property data in scientific projects and how publishing practices can improve information transfer. It also introduces general principles of Good Reporting Practice and basic elements of Good Research Practice to enhance the quality and usefulness of experimental data in the thermophysical property data domain.
PURE AND APPLIED CHEMISTRY
(2021)
Article
Chemistry, Physical
Usman Taqui Syed, Ana M. A. Dias, Joao Crespo, Carla Brazinha, Herminio C. de Sousa
Summary: The study investigated the production of PFC-based nanoemulsions using a novel surfactant system to overcome challenges faced by PFC-in-Water emulsions. The fluorinated FC8 surfactant-based emulsion droplets were found to be smaller and more stable compared to Tween 80 alone, with improved droplet size distribution. This equimolar mixture of surfactants resulted in safer surfactant system with lower energy and operating costs for emulsions preparation.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Engineering, Chemical
Georgios M. Kontogeorgis, Ralf Dohrn, Ioannis G. Economou, Jean-Charles de Hemptinne, Antoon ten Kate, Susanna Kuitunen, Miranda Mooijer, Ljudmila Fele Zilnik, Velisa Vesovic
Summary: This study conducted an investigation on industrial requirements for thermodynamic and transport properties from 2019 to 2020, aiming to identify advancements, limitations, and future research directions in this area over the past decade. The survey gathered comprehensive responses from 37 companies, mostly in Europe but also from the USA and Japan, with a response rate of about 60%. The paper presents a thematic structure of the results, covering changes, challenges, and further needs in various aspects of interest such as data, models, systems, properties, and computational aspects.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Thermodynamics
Bruna Soares, Francisco Cunha, Ines Silva, Catarina Florindo, Luis C. Branco, Isabel M. Marrucho
Summary: This study presents a new type of deep eutectic solvent based on sodium salts, and explores its physical properties and comparison with commonly used solvents.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2021)
Article
Engineering, Chemical
Andreia S. L. Gouveia, Vitor Oliveira, Ana M. Ferraria, Ana M. B. Do Rego, Maria Joao Ferreira, Liliana C. Tome, Amelia Almeida, Isabel M. Marrucho
Summary: The study successfully created microchannels on the surface of PIL-IL materials using femtosecond laser ablation, leading to the improvement of CO2 separation performance of the membranes.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Biochemistry & Molecular Biology
Bruna F. Soares, Daniil R. Nosov, Jose M. Pires, Andrey A. Tyutyunov, Elena I. Lozinskaya, Dmitrii Y. Antonov, Alexander S. Shaplov, Isabel M. Marrucho
Summary: This work explores the gas permeation performance of two newly-designed ionic liquids in supported ionic liquid membranes (SILM) and compares them with the overall gas permeation performance of functionalized ionic liquids. The results show that one of the ionic liquids exhibits unexpectedly high CO2 permeability, surpassing the others. The prepared membranes have varying selectivities. In addition, the thermophysical properties of the ionic liquids were investigated and compared with others.
Article
Chemistry, Multidisciplinary
Sofia Marceneiro, Irene Lobo, Isabel Dias, Elizabete de Pinho, Ana M. A. Dias, Herminio C. de Sousa
Summary: This study presents a novel natural-based and solvent-free additives for poly(vinyl chloride) (PVC) to enhance its safety and sustainability. The results demonstrate that the additives can reduce the concentration of volatile organic compounds released from PVC films and improve the long-term thermal stability of the materials.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2022)
Article
Environmental Sciences
Roberta Lordelo, Jose Rafael S. Botelho, Paula Morais, Herminio C. de Sousa, Rita Branco, Ana M. A. Dias, Marco S. Reis
Summary: In this study, the effectiveness of three methods for mask decontamination, including contact with nebulized hydrogen peroxide, immersion in commercial bleach, and contact with steam in microwave steam-sanitizing bags, was analyzed. The results demonstrated that these methods can effectively sterilize or disinfect different types of masks without significant impact on filtration efficiency.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL RESEARCH AND PUBLIC HEALTH
(2022)
Article
Green & Sustainable Science & Technology
Usman Taqui Syed, Ana M. A. Dias, Herminio C. de Sousa, Joao Crespo, Carla Brazinha
Summary: This study employed a novel method using polymeric membranes to produce oil-in-water nanoemulsions, resulting in monomodal emulsions with smaller droplet sizes compared to ultrasound emulsification, and a significant reduction in energy expenditure.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Engineering, Chemical
Jean-Charles De Hemptinne, Georgios M. Kontogeorgis, Ralf Dohrn, Ioannis G. Economou, Antoon ten Kate, Susanna Kuitunen, Ljudmila Fele Zilnik, Maria Grazia De Angelis, Velisa Vesovic
Summary: Thermodynamics is essential in solving technological challenges and is often considered complex. This paper highlights through an industrial survey that thermodynamics plays a crucial role in many industrial processes, but there are still many unanswered questions. Some of these questions arise due to a lack of knowledge of the existing tools, unavailability of models or parameters, and the inability to transfer concepts between systems. The paper aims to promote research and encourage professionals to engage in education, laboratory work, fundamental developments, and model validation. Collaboration between academia, industry, and software vendors is crucial for new developments and sustainable goals.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Review
Chemistry, Multidisciplinary
J. Afonso, A. Mezzetta, I. M. Marrucho, L. Guazzelli
Summary: The establishment of Deep Eutectic Solvents (DESs) as a new class of green solvents was initially based on naive comparisons with Ionic Liquids (ILs), but further research has emphasized the need for a thermodynamic definition and differentiation from other solvents. This perspective review presents experimental and computational data to dispel myths about DESs and make fair comparisons with other solvents, such as ILs, eutectic solvents (ESs), and volatile organic compounds (VOCs). The unique potential of DESs in biopolymer dissolution and treatment is highlighted, along with considerations for recycling and techno-economic aspects.
Article
Chemistry, Multidisciplinary
Samuel C. Pestana, Joao N. Machado, R. Domingos Pinto, Bernardo D. Ribeiro, Isabel M. Marrucho
Summary: This study demonstrates a new solution for processing and recycling PET by completely solubilizing it in natural eutectic solvents, ensuring full recovery of PET while retaining its properties and recycling the eutectic solvent.
Article
Chemistry, Inorganic & Nuclear
Andreia Forte, Sandra Gago, Manuela Ribeiro Carrott, Peter Carrott, Celso Alves, Fernando Teodoro, Rui Pedrosa, Isabel M. Marrucho, Luis C. Branco
Summary: Organic salts based on different choline derivative cations and metal ions were immobilized in mesoporous silica nanoparticles through a two-step synthetic method, characterized using various techniques and evaluated for cytotoxicity in different cell lines. The characterization data confirmed successful functionalization and provided insights into the materials' properties, while the cytotoxicity results revealed differences between the metal organic salts and their immobilized analogues.
DALTON TRANSACTIONS
(2021)