Article
Engineering, Chemical
Ali Reza Harifi-Mood, Marzieh Sarafrazi, Hamed Akbarzadeh, Mahnaz Alinejad
Summary: Deep eutectic solvents (DESs), as new green solvents, have found wide applications in various chemical and physical processes. The capture of carbon dioxide (CO2) by solvents has been a topic of interest, with recent studies focusing on DESs. This study presents experimental results and molecular dynamics (MD) simulation data on the solubility of CO2 in Thymol-Decanol, a hydrophobic DES, and its binary mixtures with ethylene glycol (EG). The solubility of CO2 was found to increase with higher DES molar fractions. The preferential solvation model was used to investigate the dependency of Henry's constant on solvent composition, revealing that CO2 was preferentially solvated by DES molecules in the binary solvent mixtures. The MD simulations confirmed the experimental findings and preferential solvation model.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Chemical
Shuainan Ni, Guisu Yu, Yun Gao, Sijia Zhang, Hao Su, Xiaoqi Sun
Summary: This paper reports a novel strategy for separating Al3+ and Gd3+ based on hydrophobic deep eutectic solvent (HDES). The results show that HDES can effectively remove Al3+ from GdCl3 solution, with good separation performance and high purity of GdCl3 product.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Analytical
Yu Xu, Ang Li, Song Xue, Sihui Ding, Qi Zhang
Summary: This study demonstrates the use of hydrophobic deep eutectic solvents (HDESs) in capillary electrophoresis (CE) for chiral separations. The HDES N8881Cl:OctA can form nano-sized microdroplets in CE background electrolyte solutions and acts as a new type of pseudo-stationary phase (PSP) exhibiting hydrophobic effects. The presence of N8881Cl:OctA significantly improves the enantioresolutions of model drugs with various cyclodextrin (CD)-type chiral selectors, and the migration time of enantiomers can be reduced using an anionic CD.
Article
Engineering, Environmental
Yifan Wang, Yonghui Song, Yifan Li, Jin Li, Jin Bao, Xinwei Zhang, Bo Li
Summary: Efficient and sustainable recovery of precious metals from acidic leaching solution can be achieved using a hydrophobic deep eutectic solvent (HDES) synthesized from trioctylmethylammonium chloride (N263) and oleic acid (OA). The study investigated the effects of different experimental conditions on the extraction process and analyzed the reaction mechanisms using various characterization techniques. The results demonstrated that HDES has a high saturation extraction capacity and can effectively recover precious metals.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Engineering, Environmental
Qianqian Chen, Meng Zhou, Jun Yuan, Jiaqian Cai, Hongxia Xie, Mengxiang Zhu, Libing Cai, Peng Wei, Chunyu Chang
Summary: In this study, a vacuum-assisted filtration method was used to prepare high-strength and recyclable hydroplastic cellulose nanofiber films. Hydrophobic cellulose nanofibers were obtained by esterification of natural cellulose and dissolved in a recyclable deep eutectic solvent to form films. The films exhibited high tensile strength and could be programmed into various shapes. They could also be reversibly engineered by kirigami, origami, and embossing. The waste films could be recycled.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biochemical Research Methods
Xuelian Wang, Mei Liu, Feixia Peng, Xueqin Ding
Summary: In this study, four hydrophobic magnetic deep eutectic solvents (HMDESs) were designed and prepared for DNA extraction, with the conformations of HMDESs simulated and their H-bonding interactions investigated using density functional theory (DFT) calculations. The physical and thermal properties of HMDESs were characterized, and DNA extracted by HMDESs could be quickly collected by an external magnet. Three auxiliary extraction methods were introduced, and factors impacting the DNA extraction process were systematically investigated through single-factor experimental analysis. The proposed extraction method successfully extracted DNA from complex matrices and E. coli cell lysate, and the binding sites between HMDESs and DNA were studied.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Article
Engineering, Environmental
Shuainan Ni, Yun Gao, Guisu Yu, Sijia Zhang, Zhiyuan Zeng, Xiaoqi Sun
Summary: In this study, new hydrophobic deep eutectic solvents (HDESs) were used to selectively enrich trace Th from radioactive waste leach solution. These HDESs showed exceptional selectivity for Th extraction, along with high loading capacity and easy stripping. A short flow closed-loop recovery process was developed to efficiently extract Th from the leach solution of radioactive waste residue.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Chemistry, Physical
Victor Hernandez-Serrano, Jose Munoz-Embid, Fernando Bergua, Carlos Lafuente, Manuela Artal
Summary: One of the basic principles of green chemistry is to find less harmful alternative solvents. This study provides density data for two hydrophilic deep eutectic solvents (choline chloride + ethylene glycol or glycerol) and two hydrophobic eutectic solvents (camphor + thymol or menthol) at various pressures and temperatures. The Tait equation of state and the PC-SAFT equation of state are used to correlate the data and calculate derived properties. The results show that the hydrophilic solvents are more compact and exhibit abnormal thermal behavior.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Environmental
Wang Chen, Xiaowei Li, Linlin Chen, Guolang Zhou, Qingqiang Lu, Yan Huang, Yanhong Chao, Wenshuai Zhu
Summary: This study successfully extracted high concentration Li+ from the mother liquor using a hydrophobic deep eutectic solvent as a novel coextraction reagent, showing good selectivity, stability, and reusability.
CHEMICAL ENGINEERING JOURNAL
(2021)
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
Jun Zhang, Kuiyuan Zhang, Xishun Hao, Ting Wan, Youguo Yan
Summary: The two-dimensional material supported deep eutectic solvent membrane has good CO2 separation performance, and the separation performance can be modulated by changing the composition ratio of the deep eutectic solvent.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Analytical
Ang Li, Song Xue, Yu Xu, Sihui Ding, Di Wen, Qi Zhang
Summary: The study explores the feasibility of using hydrophobic eutectic solvents (HESs) as pseudo-stationary phases (PSPs) in capillary electrophoresis (CE) for chiral separations. It demonstrates that there is a potential synergistic effect between HESs and traditional chiral selectors, improving enantioseparations of basic drugs.
ANALYTICA CHIMICA ACTA
(2023)
Article
Metallurgy & Metallurgical Engineering
Guisu Yu, Shuainan Ni, Yun Gao, Ditang Mo, Zhiyuan Zeng, Xiaoqi Sun
Summary: This research proposes a novel green process for the selective recovery of rare earth elements (RE) from spent NdFeB permanent magnet using hydrophobic deep eutectic solvent (HDES). Through optimization of extraction conditions and stripping method, efficient and clean separation and recovery have been achieved.
Article
Engineering, Chemical
Haiyan Luo, Haoyu Yao, Xiaotian Wang, Xiangfeng Liang, Bo Li, Huizhou Liu, Yingbo Li
Summary: A series of synergistic hydrophobic deep eutectic solvents (HDESs) coupling beta-diketones and neutral extractants were developed for efficient recovery of Li+ from aqueous solution, exhibiting low viscosity and high hydrophobicity, and demonstrating excellent extraction capacity and selectivity towards Li+.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
Divya Dhingra, Kamalakanta Behera, Bhawna, Siddharth Pandey
Summary: Hydrophobic deep eutectic solvents can form water-in-DES microemulsions with the aid of a common non-ionic surfactant, leading to the formation of water pools within the DES. The average aggregate sizes of these microemulsions range from 72 to 122 nm, indicating their potential in various aggregation processes as replacements for toxic organic solvents.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Medicinal
Rabindranath Paul, Siddhartha Bera, Madhusmita Devi, Sandip Paul
Summary: Alzheimer's Disease is a neurodegenerative disorder without effective therapeutic treatment. This study investigated the inhibitory effect of an indanone-carbamate-based molecule on Afi16-22 peptide aggregation. The results showed that the inhibitor molecules interacted with the peptide and destabilized its arranged conformer. Additionally, the study examined the effect of inhibitors on amyloid aggregation and their permeability through lipid bilayers.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Physical
Rituparna Roy, Sandip Paul
Summary: The misfolding and aggregation of proteins are associated with the onset of amyloidogenic diseases. Currently, there is no effective treatment available for these chronic degenerative diseases. However, targeting the aggregation of disease-specific proteins shows promise as a new approach for treatment. In recent years, significant progress has been made in generating potential drug candidates, including small molecules, polymers, and nanoparticles. Natural small molecular probes derived from natural sources have been particularly interesting as amyloid inhibitors. This review summarizes important natural small molecular probes that can inhibit the aggregation of A beta, hIAPP, and alpha-syn peptides and discusses how their efficacy and preference vary with their structure and conformation, providing insights for the design of novel drug candidates for the treatment of amyloid diseases.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Aritra Mitra, Krishna Gopal Chattaraj, Sandip Paul
Summary: PPh4Cl is a potential hydrotropic agent that assists in the solubility of dye molecules. Molecular dynamics simulations reveal that dye molecules aggregate into clusters, causing the accumulation of PPh4+ ions in their vicinity and exclusion of water molecules. The preferential interaction between dye molecules and PPh4Cl, attributed to the difference in ir-ir and CH-ir interaction, plays a crucial role in the structural organization. The low propensity of PPh4Cl for cluster formation enhances its hydrotropic behavior. The thermodynamically favored process of dye dissolution occurs through a cooperative mechanism, providing insights for the design of novel hydrotropes.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Rimjhim Moral, Sandip Paul
Summary: It has been observed in literature that cyclic peptides can self-assemble in water to form cyclic peptide nanotubes, making them valuable in nanotechnology. This study aimed to investigate the influence of temperature and salt concentration on the self-assembly behavior of cyclic peptides. Molecular dynamics simulations were performed at different temperatures and in the presence of NaCl. The results showed that salt concentration and temperature both had significant effects on the association propensity of cyclic peptides. Low NaCl concentration and low temperature hindered the self-assembly, while high NaCl concentration and low temperature facilitated it.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Review
Chemistry, Multidisciplinary
Madhusmita Devi, Rimjhim Moral, Sanjib Thakuria, Aritra Mitra, Sandip Paul
Summary: Deep eutectic solvents (DESs) are a type of multicomponent designer solvents that remain stable as liquids over a wide range of temperatures. Most DESs formulated before are hydrophilic and dissolve when in contact with water, but hydrophobic DESs (HDESs) have been developed as an alternative. HDESs can induce phase segregation in an aqueous solution and can be used as extracting mediums for various compounds. This review discusses the usage of HDESs for extraction, including organic compounds, metal ions, and gases like CO2, along with the techniques employed in the extraction processes.
Article
Nanoscience & Nanotechnology
Srijita Paul, Titas Kumar Mukhopadhyay, Sandip Paul
Summary: Inspired by the urge to determine the underlying mechanism of toxic effects induced by two-dimensional nanomaterials, this study investigates the interactions between graphene, h-BN, and a model protein HEWL. It is found that the protein can be easily adsorbed on both graphene and h-BN, but h-BN exhibits a stronger adsorption affinity. Aromatic and aliphatic residues play a significant role in the adsorption process. The disruption of intraprotein hydrogen bonds by h-BN leads to changes in the protein's secondary structure. The study highlights the importance of understanding nanotoxicity for the design of biocompatible 2D materials.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Physical
Rituparna Roy, Sandip Paul
Summary: Nanoparticles, especially boron nitride nanoparticles, have shown potential in anti-aggregation research and have become a new frontier in the development of drugs against human amyloid diseases. The curvature of nanoparticles also plays a significant role in their interaction with amyloid peptides.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Aritra Mitra, Sandip Paul
Summary: This study reveals the aggregation pathways of alpha-amyloids in hLL-37(17-29) using molecular dynamics simulations. Larger oligomers are found to be formed through the association of smaller and intermediate oligomers. The peptides retain their helical structure during aggregation with transient occurrences of 3-10 helix and turns. Hydrophobic interactions play a vital role in the aggregation of these peptides.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Aritra Mitra, Krishna Gopal Chattaraj, Sandip Paul
Summary: PPh4Cl is a promising hydrotropic agent and its solubility-assisting mechanism for dye molecules was investigated using molecular dynamics simulations. The research revealed that dye molecules aggregate into clusters, leading to the accumulation of PPh4+ ions around them and exclusion of water molecules. This structural organization is attributed to the preferential interaction between dye molecules and PPh4Cl, which arises from differences in Jr-Jr and CH-Jr interactions. The low propensity for cluster formation indicated by the hydrodynamic radius of PPh4Cl enhances its hydrotropic behavior. The dissolution of dye molecules occurs cooperatively and is thermodynamically favored. These findings provide valuable molecular insights for the design of novel hydrotropes with enhanced solubilizing properties.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Rituparna Roy, Sandip Paul
Summary: The onset of amyloidogenic diseases is caused by the misfolding and aggregation of proteins. There is currently no effective treatment for these chronic degenerative diseases. However, targeting the aggregation of disease-specific proteins shows promise as a new approach. Recent progress has been made in generating potential drug candidates that can inhibit protein aggregation, including small molecules derived from natural sources. Understanding the factors that affect the binding efficacy and preference of these small molecules can guide the future design of novel drugs for amyloid diseases.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Madhusmita Devi, Sandip Paul
Summary: The addition of aluminum salt solutions, especially ClO4- and SCN- ions at high concentrations, weakens the self-aggregation tendency of molecular tweezers, thus improving their therapeutic effect.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)