Review
Engineering, Chemical
Yan Wang, Shuhang Ren, Yucui Hou, Weize Wu
Summary: This review focuses on the investigation of various deep eutectic solvents (DESs) for capturing acidic gases in flue gases, summarizing non-functionalized and functionalized DESs for SO2, CO2, and NO capture. New strategies for enhancing absorption capacity, such as introducing a third component to form ternary DESs, are introduced, along with the use of halogen salt hydrogen bond acceptors (HBAs) and functionalized hydrogen bond donors (HBDs) for efficient absorption of SO2 and NO.
Review
Nutrition & Dietetics
Ayobami Adebayo, Fahimeh Varzideh, Scott Wilson, Jessica Gambardella, Michael Eacobacci, Stanislovas S. Jankauskas, Kwame Donkor, Urna Kansakar, Valentina Trimarco, Pasquale Mone, Angela Lombardi, Gaetano Santulli
Summary: L-Arginine may play a crucial role in COVID-19 by affecting endothelial cells and the immune system, and could potentially serve as a therapeutic tool based on recent clinical experimentations.
Article
Chemistry, Physical
Patrycja Janicka, Andrzej Przyjazny, Grzegorz Boczkaj
Summary: The paper introduces new types of deep eutectic solvents based on L-proline protonated using different acids, suitable for various technological processes and analytical techniques. These solvents have diverse properties and are applicable in the food and pharmaceutical industry.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Pharmacology & Pharmacy
Yi Hu, Peiyi Liang, Zhuxian Wang, Cuiping Jiang, Quanfu Zeng, Chunyan Shen, Yufan Wu, Li Liu, Yankui Yi, Hongxia Zhu, Qiang Liu
Summary: This study aimed to explore the solubilization and release mechanism of isoliquiritigenin (ISL) using deep eutectic solvents (DESs). It was found that the solubility of ISL in DESs is much higher than that in an aqueous solution. Further molecular dynamics simulations revealed that enhancing the interactions between ISL and solvent molecules can improve its solubility in DESs. This study provides new ideas and methods for the study of poorly soluble drugs.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
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, Multidisciplinary
Huan Zhang, Jose Manuel Vicent-Luna, Shuxia Tao, Sofia Calero, Rafael J. Jimenez Rioboo, Maria Luisa Ferrer, Francisco del Monte, Maria Concepcion Gutierrez
Summary: Ionic liquids (ILs) and deep eutectic solvents (DESs) have emerged as alternatives to conventional solvents, and despite their different interaction types, they can be considered as two sides of the same coin. In this study, a transition from 1-ethyl-3-methylimidazolium chloride (EMIMCl) to EMIMCl·nAcOH-based DESs was promoted by adding stoichiometric amounts of acetic acid (AcOH) to EMIMCl. The transition was confirmed through various spectroscopic and simulation techniques. The resulting DESs exhibited different solvent properties, and the aqueous dilutions deviated from ideality due to the formation of hydrogen bonds between water molecules and the anion.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Pharmacology & Pharmacy
Andjelika Kalezic, Aleksandra Korac, Bato Korac, Aleksandra Jankovic
Summary: L-arginine supplementation induces browning of white adipose tissue, characterized by the appearance of multilocular adipocytes and increased expression of thermogenic and beige adipocyte-specific genes. This browning effect is associated with increased inducible nitric oxide protein expression and NO signaling. Additionally, L-arginine treatment also decreases white adipose tissue mass and body weight.
Article
Biochemistry & Molecular Biology
Akshatha Hebbar, Poulumi Dey, Anoop Kishore Vatti
Summary: This study investigated the impact of six different mixed solvents on the structure of lysozyme using molecular dynamics simulations. The results showed that most mixed solvents led to a more compact and rigid lysozyme structure, while two solvents caused structural expansion. The interactions between lysozyme and solvents as well as the increase in surface area were also analyzed, providing insights into the overall stability of lysozyme.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Engineering, Chemical
Xinyu Wang, Keyang Zheng, Zhixiao Peng, Baoyou Liu, Xiaoqiao Jia, Jie Tian
Summary: This study investigated the effect of HBD modification of L-Arg DESs and preparation and modification of L-Lys DESs on CO2 capture. The experimental results showed that both systems had high CO2 loading capability at specific ratios and exhibited good regeneration ability. Additionally, it was found through various spectroscopic techniques that the reaction mechanisms differed between the two systems, with L-Arg directing CO2 attack towards the imino site and L-Lys undergoing phase change due to internal salt formation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Maninder Meenu, Vasudha Bansal, Sudha Rana, Nitya Sharma, Vinod Kumar, Vaishali Arora, Monika Garg
Summary: Anthocyanins are extracted using alternative solvents such as ionic liquids, deep eutectic solvents, and natural deep eutectic solvents, which are more environmentally friendly and efficient compared to conventional solvents. Acid-based deep eutectic solvents with 20-30% water content showed the highest anthocyanin extraction yield. Ultrasonic-assisted extraction was the most common and efficient method, and DES-based extracts exhibited the highest stability and antioxidant activity. Fruits and their by-products are the most commonly used samples, while cereal and legumes are less explored.
SUSTAINABLE CHEMISTRY AND PHARMACY
(2023)
Article
Chemistry, Multidisciplinary
Jennifer Noro, Joana Cabo, David S. Freitas, Catarina S. Roque, Mariana de Castro, Artur Cavaco-Paulo, Carla Silva
Summary: In this study, three deep eutectic mixtures (DES) were used as mediums to synthesize glucose laurate and glucose acetate. Lipases from Aspergillus oryzae (LAO), Candida rugosa (LCR), and porcine pancreas (LPP) were employed as catalysts. The results showed that DES did not deactivate the lipases when used as medium. For transesterification reactions, combining LAO or LCR with DES 3 resulted in efficient production of glucose laurate, while LPP performed best in DES 2 for glucose acetate synthesis. Substituting vinyl laurate with vinyl acetate led to different behaviors, with LCR and LPP showing better catalytic activity in DES 1 for glucose acetate production. LAO had lower activity, with only around 40% product yield in DES 3. These findings highlight the potential of biocatalysis combined with greener solvents for the synthesis of differentiated sugar fatty acid esters.
Article
Materials Science, Paper & Wood
Xuerong Bi, Jiansheng Guo, Jin Wen, Chongwen Yu
Summary: Clean energy and green solvents, such as deep eutectic solvents (DES), have attracted attention for their non-toxic and recyclable properties. This study compares different carboxylic acid DESs for the preparation of cellulose nanocrystals (CNCs) and finds that oxalic acid (OA) DESs have higher yield and crystalline index. The presence of crystal water molecules in DESs enhances the reaction activity. Molecular dynamics simulations and quantum chemical calculations reveal strong non-covalent interactions between DESs and cellulose, which are further enhanced by crystal waters. Computational simulations show that OA is more reactive with cellulose in esterification and acidolysis reactions, confirming the beneficial effects of OA DESs in CNC production.
Article
Materials Science, Paper & Wood
Xuerong Bi, Jiansheng Guo, Jin Wen, Chongwen Yu
Summary: Clean energy and green solvents, such as deep eutectic solvent (DES), have attracted attention for their non-toxic and recyclable properties. Experimental and computational studies have shown that oxalic acid (OA) DESs have advantages in the formation of cellulose nanocrystals (CNCs) compared to citric acid DESs. The interactions between DESs and cellulose, as well as the reaction pathways, have been investigated to understand the formation mechanism of CNCs.
Article
Polymer Science
Dorota Skowronska, Katarzyna Wilpiszewska
Summary: This review describes the application of deep eutectic solvents (DESs) for dissolving starch, plasticizing it, and making other modifications. DES can be a good alternative to common starch plasticizers and ionic liquids, and the wide range of DES component combinations allows for materials with specific properties for different applications.
Article
Chemistry, Multidisciplinary
Henrik Palmelund, Jukka Rantanen, Korbinian Lobmann
Summary: Deep eutectic solvents (DESs) are composed of a hydrogen bond donor and acceptor, and the interactions between them significantly lower the melting point of the mixture. Despite having eutectic melting temperatures above room temperature, all investigated DESs were able to appear liquid at room temperature under ambient conditions due to low RH0.
APPLIED SCIENCES-BASEL
(2021)
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)