Article
Chemistry, Physical
Ruben Santiago, Blanca Saenz de Miera, Maria Gonzalez-Miquel, Emilio J. Gonzalez, Manuel Rodriguez, Ismael Diaz
Summary: The search for new solvents to improve the solubility of active pharmaceutical ingredients (APIs) in water is important for the development of new formulations. In this study, the use of COSMO-RS as a predictive method to anticipate APIs solubility in natural eutectic solvents (NAESs) was presented. The methodology was validated with a collection of 50 APIs-NAESs systems, and four NAESs were identified as good candidates to improve the solubility of lidocaine and caffeine. The experimental characterization of these NAESs showed varying densities and viscosities, with glycerol-based NAESs being the most viscous. Solubility experiments confirmed the efficacy of COSMO-RS predictions, with betaine: lactic acid and betaine: 1,2-propanediol being good candidates for lidocaine solutions, and proline: lactic acid identified as the best candidate for caffeine solubility.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Mohammed Abobakr Al-Maari, Hanee F. Hizaddin, Adeeb Hayyan, Mohamed Kamel Hadj-Kali
Summary: Deep eutectic solvents (DESs) have been recognized as eco-friendly alternatives to conventional solvents. However, reliable methods for selecting task-specific DESs are limited. Using COSMO-RS, 126 DESs were screened based on their solubility capacity to estimate their potential use as plant seed oil extractants. The results showed that DESs with higher linoleic acid solubility had lower solubility for protein, and the similarity of DESs to both linoleic acid and protein was compared through sigma-profiles. DESs with high linoleic acid solubility could be used as individual solvents, while DESs with high protein solubility could be used as co-solvents with organic solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Verena Huber, Johnny Hioe, Didier Touraud, Werner Kunz
Summary: The solubility of curcumin in ethanolic solutions can be significantly increased by the addition of natural deep eutectic solvents (NADES). The study found that the addition of quaternary ammonium compounds can increase solubility, while the presence of functional groups in acids has a significant influence on solubility. The combination of non-specific and directed intermolecular interactions was identified as the key driving force for the enhanced solubility of curcumin. The NADES based on levulinic acid achieved the best results.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Chunjie Liu, Hua Huang, Xiaoyuan Qu, Liang Chen, Haiyan Zhang, Zhong Wei
Summary: This study used three organics and a hydrogen bond acceptor to form deep eutectic solvents (DESs) for freeze-casting super-macroporous materials. The DESs showed smaller pore sizes and higher specific surface area compared to conventional porogens, resulting in hydrophobic cryogels with improved properties. The study also presented a strategy combining computational screening and experimental validation to design DESs with suitable properties, allowing for an adjustable pore structure in hydrophobic cryogels.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Chunjie Liu, Hua Huang, Xiaoyuan Qu, Liang Chen, Haiyan Zhang, Zhong Wei
Summary: In this study, inexpensive and low-toxic deep eutectic solvents (DESs) were successfully synthesized and used as crystallization-induced porogens for preparing super-macroporous materials. Through COSMOtherm-assisted screening and experimental validation, DESs with suitable melting points and cocrystal behavior were designed, which enabled the hydrophobic cryogels to exhibit smaller pore sizes and higher specific surface areas compared to conventional porogens. This research provides a strategy for tailored DES design and expands the potential of achieving adjustable pore structures in hydrophobic cryogels.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Applied
Sile He, Kyung Ho Row, Weiyang Tang
Summary: Essential oils, as complex mixtures of volatile compounds, play a crucial role in improving product quality in various industries. This study proposes an in situ isolation technique using deep eutectic solvents (DESs) for the removal of impurities in essential oils. The deterpenation performance was predicted using COSMO-RS and DFT methods, and important characteristics of relevant compounds were obtained. Tetrabutylammonium chloride (TBAC) was chosen to extract hydroxy-terpenoids based on theoretical analysis and experimental results, and a re-extraction procedure yielded TBAC and terpenoids with a recovery rate of 81.8-84.4%.
Review
Chemistry, Physical
Yanrong Liu, Zhengxing Dai, Zhibo Zhang, Shaojuan Zeng, Fangfang Li, Xiangping Zhang, Yi Nie, Lei Zhang, Suojiang Zhang, Xiaoyan Ji
Summary: This study comprehensively collected and summarized the solubilities of CO2 in physical- and chemical-based ILs/DESs, as well as the COSMO-RS models predicting these properties. Chemical-based ILs/DESs were found to be more effective for CO2 capture, especially those with functionalized cations and anions, and superbase DESs.
GREEN ENERGY & ENVIRONMENT
(2021)
Article
Chemistry, Physical
Jean -Baptiste Chagnoleau, Nicolas Papaiconomou, Xavier Fernandez, Joao A. P. Coutinho
Summary: This study evaluates the potential of the conductor-like screening model for designing biphasic systems for natural compound separation. The model accurately predicts binodal curves and phases composition and shows excellent agreement with experimental data for partition coefficients of natural compounds. The model is able to capture the influence of changes in system composition on partition coefficients.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Juan Wang, Yangyang Guo, Fengmao Liu, Xianzhao Zhang, Wenzhuo Wang, Qingrong Peng
Summary: The solubility of 9 water-insoluble pesticide active ingredients (PAIs) in 133 deep eutectic solvents (DESs) was predicted using a COSMO-RS model based on hydrogen bond acceptors and hydrogen bond donors. Thirteen DESs with superior solubility were screened out and verified through experiments. The study also found that some PAIs can be mutually dissolvable with specific DESs. The research suggests that DESs can be a potential alternative to toxic organic solvents in pesticide formulations.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Fadhila Rabhi, Thomas Di Pietro, Fabrice Mutelet, Hocine Sifaoui
Summary: The study evaluated the performance of three hydrophobic carboxylic acid based Deep Eutectic Solvents for the extraction of 1-butanol and acetonitrile from aqueous solutions. It was found that DL-menthol based DESs are suitable for this type of extraction. NRTL and UNIQUAC models provided a good representation of the phase diagrams measured in the study, while COSMO-RS accurately predicted phase diagrams of systems containing DL-menthol based Deep Eutectic Solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Aditi Prabhune, Ranjan Dey
Summary: Deep Eutectic Solvents (DESs) have emerged as potential alternatives to conventional solvents in many industrial applications due to their safety, greenness, ease of preparation and wide range of applications.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Joaquin Otarola-Sepulveda, Esteban Cea-Klapp, Paulo Aravena, Sebastian Ormazabal-Latorre, Roberto I. Canales, Jose Matias Garrido, Oscar Valerio
Summary: This study compares the solubility predictions of Flory-Huggins based on the Hansen Solubility Parameters (FH-HSP) model with openCOSMO-RS and PC-SAFT, finding good performance in predicting the solubility of thymol and L-menthol but significant deviations for solid solutes in cyclohexanone. For DES solubility predictions compared to experimental data, RMSLD values of FH-HSP, openCOSMO-RS, and PC-SAFT were 0.86, 0.27, and 0.93 respectively. The results suggest that the HSP theory can aid DES screening processes by identifying promising DES-solute pairs.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Chemical
Qian Liu, Xianglan Zhang
Summary: This study proposes a systematic method for screening promising deep eutectic solvents (DESs) as extractive solvents, and verifies the reliability of the conductor-like screening model for real solvents (COSMO-RS) using experimental data. The research identifies chlorocholine chloride (CChC): acetic acid (AA) and choline chloride (ChCl): ethylene glycol (EG) as the optimal DESs for the separation of m-cresol/cumene. Extraction experiments confirm the high separation performance of these DESs.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Physical
Jose L. Trenzado, Cristina Benito, Mert Atilhan, Santiago Aparicio
Summary: This study investigated the hydrophobic Natural Deep Eutectic Solvent formed by cineole and decanoic acid through both experimental and computational approaches. The experimental study measured physicochemical properties and Raman spectra, confirming the formation of hydrogen bonding. The computational analysis using Density Functional Theory and Molecular Dynamics simulation provided nanoscopic characterization and predicted phase equilibria. Moreover, the interaction of the solvent with POPC lipid was studied, revealing its disruptive effects on cell membranes.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Oualid Alioui, Widad Sobhi, Matteo Tiecco, Inas M. Alnashef, Ayoub Attoui, Amel Boudechicha, Krishna Kumar Yadav, Ahmed M. Fallatah, Noureddine Elboughdiri, Byong-Hun Jeon, Yacine Benguerba
Summary: Natural Deep Eutectic Solvents (NADESs) are a novel class of environmentally friendly liquids that can replace traditional organic solvents in industrial applications. This study aimed to determine the thermodynamic properties of eight NADESs and their solubility towards curcumin. The findings revealed the critical structural features of NADESs in H-bonding and curcumin solubilization capabilities.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Food Science & Technology
Gabriela Polmann, Vinicius Badia, Renan Danielski, Sandra Regina Salvador Ferreira, Jane Mara Block
Summary: This review provides information on the nutritional characteristics, extraction techniques, bioactive compounds, bioavailability, and bioaccessibility of nuts, as well as the influence of nut consumption on human health through a meta-analysis.
FOOD REVIEWS INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Simone Schneider Weber, Alessandra Carla Sampaio de Souza, Denise Caroline Luiz Soares, Caroline Carvalho Lima, Ana Carolina Rabello de Moraes, Stephanie Viegas Gkionis, Tanara Arenhart, Luiz Gustavo Goncalves Rodrigues, Sandra Regina Salvador Ferreira, Rozangela Curi Pedrosa, Denise Brentan Silva, Edgar Julian Paredes-Gamero, Renata Trentin Perdomo, Eduardo Benedetti Parisotto
Summary: The study found that A. bisporus extracts obtained by supercritical fluid extraction showed excellent performance in terms of antimicrobial, antiaggregant, and anticoagulant activities.
Article
Chemistry, Physical
Sandra R. S. Ferreira, Guilherme Dallarmi Sorita, Anielle de Oliveira, Thaysa F. M. Moreira, Fernanda V. Leimann
Summary: Extracts obtained from peanut by-products using different extraction methods showed high yields and potential as digestive enzyme inhibitors.
JOURNAL OF SUPERCRITICAL FLUIDS
(2022)
Article
Endocrinology & Metabolism
Milena Monfort-Pires, Giulianna Regeni-Silva, Prince Dadson, Guilherme A. Nogueira, Mueez U-Din, Sandra R. G. Ferreira, Marcelo Tatit Sapienza, Kirsi A. Virtanen, Licio A. Velloso
Summary: This study investigated BAT in individuals living in a tropical area, finding that BAT glucose uptake is not correlated with leanness, but BAT triglyceride content is associated with visceral adiposity and markers of cardiovascular risk.
FRONTIERS IN ENDOCRINOLOGY
(2022)
Review
Food Science & Technology
Jonas da Silva, Edy Sousa de Brito, Sandra Regina Salvador Ferreira
Summary: Cashew production has expanded globally, resulting in the generation of large quantities of by-products with adverse effects on the environment and economy. However, these by-products still contain beneficial compounds, providing an opportunity for increasing the sustainability and profitability of cashew production through their recovery.
FOOD AND BIOPROCESS TECHNOLOGY
(2023)
Review
Food Science & Technology
Guilherme Dallarmi Sorita, Fernanda Vitoria Leimann, Sandra Regina Salvador Ferreira
Summary: This review discusses the benefits of the phenolic fraction recovered from peanut skin, with a focus on proanthocyanin/procyanidin compounds, and explores methods to improve their activity, bioavailability, and protection, such as encapsulation. Different applications for proanthocyanidins in the food and pharmaceutical industries are also explored. High-pressure green extraction methods, combined with micro/nanoencapsulation using wall material derived from peanut industrial processing, may represent a promising biorefinery strategy to enhance the bioavailability of underutilized peanut skins.
FOOD AND BIOPROCESS TECHNOLOGY
(2023)
Article
Chemistry, Physical
Jonatas L. Dias, Evertan A. Rebelatto, Dachamir Hotza, Adailton J. Bortoluzzi, Marcelo Lanza, Sandra R. S. Ferreira
Summary: Gas antisolvent (GAS), based on the antisolvent feature of supercritical CO2, was used to prepare quercetin/nicotinamide (QUE/NIC) cocrystals. The GAS-processed QUE/NIC cocrystals exhibited improved dissolution performance compared to raw quercetin, indicating their potential use in food and pharmaceutical applications.
JOURNAL OF SUPERCRITICAL FLUIDS
(2022)
Article
Chemistry, Physical
Lais Benvenutti, Acacio Antonio Ferreira Zielinski, Sandra Regina Salvador Ferreira
Summary: This study aims to recover pectin from the jaboticaba by-product using subcritical water extraction modified by deep eutectic solvent (SWE-DES). The results showed that the modified extraction method increased the yield, galacturonic acid content, antioxidant activity, and emulsion stability of pectin, indicating its potential application in food formulations.
JOURNAL OF SUPERCRITICAL FLUIDS
(2022)
Article
Endocrinology & Metabolism
Renata Germano Borges de Oliveira Nascimento Freitas, Ana Carolina Junqueira Vasques, Francieli Barreiro Ribeiro, Isabela Solar, Alfredo Shigueo Hanada, Marina Gomes Barbosa, Angelica Marques Martins Valente, Bianca de Almeida Pititto, Ilana Eshriqui, Tito Livio da Cunha Lopes, Bruno Geloneze, Sandra Roberta Gouvea Ferreira
Summary: The intrauterine environment and gestational weight gain could influence offspring's body composition, including lean mass, adiposity, and fat distribution. Maternal preconception BMI was associated with offspring's lean mass, adiposity, and overall fat mass, while gestational weight gain was associated with offspring's body mass index and fat distribution.
ARCHIVES OF ENDOCRINOLOGY METABOLISM
(2023)
Review
Food Science & Technology
Carla Roana Monteiro Rudke, Acacio Antonio Ferreira Zielinski, Sandra Regina Salvador Ferreira
Summary: There is an increasing demand for functional foods with health benefits. This review focuses on the utilization of mostly unexplored peach by-products as alternative sources of valuable components for designing new food products, encouraging the circular bioeconomy approach. It provides an overview of recent peach production data, extraction methods for recovering lipids, proteins, phenolics, and fiber from peach by-products, and reports on in vivo studies of the health benefits associated with peach components and by-products.
FOOD AND BIOPROCESS TECHNOLOGY
(2023)
Review
Nutrition & Dietetics
Lidia Montero, Diego Ballesteros-Vivas, Andres Fernando Gonzalez-Barrios, Andrea del Pilar Sanchez-Camargo
Summary: For many years, Colombia has been a major hub for illegal cannabis cultivation. However, with a new government law, the country is now transitioning towards legalizing and commercializing cannabis. Hemp seeds, with their nutritional value and functional bioactivities, have become an important focus in the study of this biomass and its applications in the food market.
FRONTIERS IN NUTRITION
(2023)
Article
Energy & Fuels
Gabriela Polmann, Gerson Lopes Teixeira, Pedro Henrique Santos, Gerardo Alvarez Rivera, Elena Ibanez, Alejandro Cifuentes, Sandra Regina Salvador Ferreira, Jane Mara Block
Summary: The combination of hydraulic pressing and supercritical fluid extraction techniques was effective in maximizing the oil recovery from gurgueia nut. The resulting oil contained high levels of β-sitosterol, γ- and β-tocopherol, and exhibited significant antioxidant potential. This high-quality oil has potential applications in the food, cosmetic, and pharmaceutical industries.
BIOMASS CONVERSION AND BIOREFINERY
(2023)
Article
Biochemistry & Molecular Biology
Fidias D. Gonzalez Camargo, Mary Santamaria-Torres, Monica P. Cala, Marcela Guevara-Suarez, Silvia Restrepo Restrepo, Andrea Sanchez-Camargo, Miguel Fernandez-Nino, Maria Corujo, Ada Carolina Gallo Molina, Javier Cifuentes, Julian A. Serna, Juan C. Cruz, Carolina Munoz-Camargo, Andres F. Gonzalez Barrios
Summary: Colombia has faced complex social problems due to illicit crops, but efforts have been made to regulate these crops, particularly Cannabis sativa, leading to advancements in medical cannabis, crop improvement, and exploration of alternative uses. A genome-scale metabolic reconstruction of C. sativa was described and contextualized using metabolic data obtained from plants grown in Colombia. The reconstruction revealed pathways related to fatty acid biosynthesis, steroids, amino acids, and various metabolisms. Key metabolites with anticancer properties were identified and their potential applications discussed. Cytotoxicity assays demonstrated high anticancer activity against certain types of cancer cells while having negligible impact on healthy human skin cells.
Article
Endocrinology & Metabolism
Isabela Solar, Francieli Barreiro Ribeiro, Marina Gomes Barbosa, Renata Germano Borges de Oliveira Nascimento Freitas, Alfredo Shigueo Hanada, Camila de Oliveira Ramos, Marcella Ramos Sant'Ana, Thamiris Candreva, Bianca de Almeida-Pititto, Andrea Tura, Dennys Esper Cintra, Bruno Geloneze, Sandra Roberta Gouvea Ferreira, Ana Carolina Junqueira Vasques
Summary: This study investigated the association between the gut microbiome and obesity, specifically focusing on the role of short-chain fatty acids (SCFAs) produced by bacteria. The study compared SCFA concentrations in plasma and feces among women with different metabolic phenotypes and found associations between SCFA and adiposity as well as energy and glucose homeostasis components.
Article
Urology & Nephrology
Julia Ines F. Branda, Bianca de Almeida-Pititto, Isabela Bensenor, Paulo A. Lotufo, Sandra Roberta G. Ferreira
Summary: In this study, the association between low birth weight and prematurity with blood pressure and kidney function markers in non-diabetic, middle-aged adults was examined. The findings showed that low birth weight was associated with higher blood pressure and kidney dysfunction, while prematurity was associated with higher blood pressure.
JOURNAL OF NEPHROLOGY
(2023)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
