Article
Chemistry, Physical
Vinicius Piccoli, Leandro Martinez
Summary: Ionic liquids (ILs) are widely used in biotechnological applications for their interactions with proteins. In this study, we investigated the solvation of different ubiquitin folding states in IL aqueous solutions and found that ILs preferentially solvate protein structures and are considered denaturants. The exposure of low-polarity residues during protein denaturation allows favorable interactions with ILs, stabilizing the protein core.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Chemical
Lie Ma, Chi Zhang, Saisai Lin, Shengfu Chen, Zhikan Yao, Zhilin Sun, Congjie Gao, Lin Zhang
Summary: This study enhanced the antifouling property of polyamide reverse osmosis membranes by tethering the aminated imidazolium cation of ionic liquids onto the membrane surface, resulting in balanced charge, strong hydrophilicity, low protein adsorption, and excellent antifouling behavior. The integration of high performance ionic liquids and mild conditions is expected to expand the application of superb antifouling materials in various biofouling areas.
Article
Nanoscience & Nanotechnology
Betul Uralcan, Irem Beyza Uralcan
Summary: This study investigates the effect of solvation and micropore structure on the energy storage performance of electrical double layer capacitors. The results show that electrodes with larger pores have faster charging profiles and the charging time depends nonmonotonically on ion concentration. When the average pore size of the electrode is similar to or slightly larger than the size of a solvated ion, solvation enhances ion electrosorption into nanopores. Additionally, the capacitance exhibits a nonmonotonic dependence on ion concentration, increasing with the introduction of solvent in the concentrated regime and decreasing with further dilution. These findings provide novel insights on the charging kinetics and equilibrium behavior of electrical double layer capacitors and can facilitate the optimization of material properties for such applications.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Teresa Poblete, Daniela Millan, Marcos Caroli Rezende
Summary: The preferential solvation of two perichromic dyes, 4-AMP and Nile Red, in binary mixtures of ionic liquids with protic or non-protic solvents was studied. Synergism was observed in mixtures where the pure components had similar polarity values. Ionic liquids can act as solvatotropes, promoting dye solvation by forming solute-specific aggregates and generating a hyperpolar milieu. Solvatotropism offers a more realistic picture of preferential solvation in binary mixtures with ionic liquids compared to the solvent-exchange model.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Yevheniia Smortsova, Francois-Alexandre Miannay, Oleg Kalugin, Toshiyuki Takamuku, Abdenacer Idrissi
Summary: We investigated the solvation structure of coumarin 153 in a mixture of 1-butyl-3-methylimidazolium terafluoroborate and propylene carbonate using molecular dynamics simulation. Our results show that in the neat ionic liquid, the anion is located close to the hydrogen atoms of coumarin 153, while the cation is located close to the F and O atoms of coumarin 153. In neat propylene carbonate, the O atoms of propylene carbonate are located near the H atoms of coumarin 153. The behavior of the solvation structure changes at a mixture composition of 0.20, indicating a crossover between ion-dominated and solvent-dominated solvation.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Kateryna Goloviznina, Luiz Fernando Lepre, Stephane Sabelle, Agilio A. H. Padua, Margarida Costa Gomes
Summary: Natural dyes with poor water solubility can be improved by accurately designed solvents such as ionic liquids and deep eutectic solvents. These solvents are capable of dissolving compounds of different nature and polarity. Adding water and surfactants to these solvents can enhance their suitability and cost-effectiveness for industrial use.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Mohammed Arab Ait Tayeb, Noureddine Tchouar, Francois Alexandre Miannay, Abdenacer Idrissi
Summary: In this study, the impact of C(4)mimBF(4)/acetonitrile mixture composition on charge transfer in Coumarin 153 after photoexcitation was investigated using DFT and TD-DFT. The results suggest that the effect of the mixture composition on the charge transfer in C153 is weak, as indicated by small changes in descriptors.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Electrochemistry
Laura Garcia-Quintana, Fangfang Chen, Nagore Ortiz-Vitoriano, Yafei Zhang, Luke A. O'Dell, Douglas R. MacFarlane, Maria Forsyth, Alan M. Bond, Patrick C. Howlett, Cristina Pozo-Gonzalo
Summary: This study reports a framework designed to understand solvation and coordination in hybrid electrolytes based on glyme and a pyrrolidinium ionic liquid. Experimental and computational methods were combined to analyze the performance factors of these systems, providing new insights for the further design of hybrid electrolytes and other metal-O-2 chemistries and electrochemical systems.
BATTERIES & SUPERCAPS
(2021)
Article
Chemistry, Physical
Simone Morales, Camila Pastenes, Vanderlei G. Machado, Marcos C. Rezende
Summary: The study discusses the applications of a preferential-solvation index in comparing analogous binary mixtures with ILs, analyzing over sixty examples from the literature. Interesting trends and patterns are revealed, questioning the meaning of fitting parameters from classic models and the existence of postulated entities in binary mixtures of ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Nanigopal Bera, Meghna Ghosh, Sourav Nandi, Nilmoni Sarkar
Summary: The positions of hydrophobic and hydrophilic probes in RTILs containing microemulsions were investigated using femtosecond solvation dynamics study, as limitations of TCSPC measurement were observed for detecting relaxation times less than 100 ps. The choice of two different RTILs revealed information about the impact of acyclic and cyclic hydrocarbon chains on solvation dynamics. Exclusive information from DLS measurement, anisotropy study, and FCS helped in performing detailed analysis of these systems.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Rima Biswas
Summary: Through molecular dynamics simulations, it was found that solvation energy is closely related to the liquid phase exfoliation of graphene sheet, allowing the prediction and screening of suitable ionic liquids for experimental studies.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Kai Ding, Elijah J. Begin, Shouyi Yuan, Mingyang Zhong, Yang Wang, Yingjie Zhang, Xiaoyuan Zeng, Junwei Lucas Bao, Yonggang Wang
Summary: In this study, a diluted ethereal electrolyte with an anion-enriched solvation sheath is developed for high-voltage Li metal batteries. The electrolyte enables long-term cycling and high-rate performance.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Applied
Alessandro Triolo, Fabrizio Lo Celso, Javier Perez, Olga Russina
Summary: The mechanism of efficient solvation of cyclodextrins in green solvents was investigated, and it was found that 1-ethyl-3-methylimidazolium acetate is an excellent solvent for native cyclodextrins. Simulation techniques revealed the intimate interactions between the ionic species and cyclodextrins, providing an excellent solvation environment.
CARBOHYDRATE POLYMERS
(2022)
Article
Chemistry, Physical
Yevheniia Smortsova, Francois-Alexandre Miannay, Thomas Gustavsson, Frederic Sauvage, Francesca Ingrosso, Oleg Kalugin, Abdenacer Idrissi
Summary: This article investigates the solvation in IL/MS mixtures using steady-state and time-resolved measurements of coumarin 153 in BmimBF(4)/propylene carbonate. The experimental results showed a lengthening of solvation times with increasing IL molar fraction, with IL dominating the slow portion of the solvation response. MD simulations provided a deep understanding and excellent agreement with experimental data, shedding light on the molecular rearrangements in different IL/MS mixture regimes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Siying Che, Qijia Shou, Yao Fan, Xiutan Peng, ChunSong Zhou, Haiyan Fu, Yuanbin She
Summary: A novel design strategy using anion-functionalized ionic liquids was presented for the real-time detection of gaseous SO2. The sensor exhibited high sensitivity, selectivity, and reusability.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Physical
Huaning Zhu, Yang Li, Jun Chen, Meng Zhou, Yingli Niu, Xinxing Zhang, Qianjin Guo, Shuangqing Wang, Guoqiang Yang, Andong Xia
Article
Chemistry, Physical
Min Liang, Sufia Khatun, Edward W. Castner
JOURNAL OF CHEMICAL PHYSICS
(2015)
Article
Chemistry, Physical
Boning Wu, Min Liang, Mark Maroncelli, Edward W. Castner
JOURNAL OF PHYSICAL CHEMISTRY B
(2015)
Article
Chemistry, Physical
Xin-Xing Zhang, Jens Breffke, Nikolaus P. Ernsting, Mark Maroncelli
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2015)
Article
Chemistry, Physical
Kamal B. Dhungana, Luiz F. O. Faria, Boning Wu, Min Liang, Mauro C. C. Ribeiro, Claudio J. Margulis, Edward W. Castner
JOURNAL OF CHEMICAL PHYSICS
(2016)
Article
Chemistry, Physical
Xin-Xing Zhang, Kevin C. Jones, Ann Fitzpatrick, Chunte Sam Peng, Chi-Jui Feng, Carlos R. Baiz, Andrei Tokmakoff
JOURNAL OF PHYSICAL CHEMISTRY B
(2016)
Article
Chemistry, Physical
Min Liang, Xin-Xing Zhang, Anne Kaintz, Nikolaus P. Ernsting, Mark Maroncelli
JOURNAL OF PHYSICAL CHEMISTRY B
(2014)
Article
Chemistry, Physical
Xin-Xing Zhang, Min Liang, Nikolaus P. Ernsting, Mark Maroncelli
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2013)
Article
Chemistry, Physical
Xin-Xing Zhang, Andrei Tokmakoff
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2020)
Article
Biology
Xin-Xing Zhang, Shelby L. Brantley, Steven A. Corcelli, Andrei Tokmakoff
COMMUNICATIONS BIOLOGY
(2020)
Article
Nanoscience & Nanotechnology
Jilei Wang, Nan Zhang, Yurong Tan, Fanfan Fu, Gengxin Liu, Yin Fang, Xin-Xing Zhang, Minsu Liu, Yuan Cheng, Jing Yu
Summary: We report a silk fibroin-polyacrylamide double network hydrogel adhesive with excellent biocompatibility, strong and durable adhesion on wet surfaces, and tunable adhesive properties. The hydrogel exhibits excellent adhesive properties across a wide range of humidity conditions and can be easily integrated with different epidermal sensor arrays, performing well in real-time sweat sensing.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Biochemistry & Molecular Biology
Qiuyu Gong, Lei Chen, Jining Wang, Fenghou Yuan, Zhiming Ma, Guoxin Chen, Yinjuan Huang, Yansong Miao, Tian Liu, Xin-Xing Zhang, Qing Yang, Jing Yu
Summary: This study reports that a highly abundant cuticular protein OfCPH-1 from the Asian corn borer has the ability to form gel-like droplets in the presence of chitosan. The transition from liquid-like to gel-like state is driven by hydrogen-bonding interactions and is associated with the induced beta-sheet structure of OfCPH-1. This liquid-liquid phase separation process and its aging behavior may play critical roles in the formation of the insect cuticle.
Article
Polymer Science
Evan Angelo Quimada Mondarte, Yuchen Shi, Xue Qi Koh, Xueyu Feng, Dan Daniel, Xin-Xing Zhang, Jing Yu
Summary: In this study, two atomic force microscopy (AFM) modes were used to reveal the layered structure of poly(sulfobetaine methacrylate) brushes synthesized by surface-initiated atom-transfer radical polymerization. The AFM amplitude-modulation mode probed the stable condensed layer near the substrate, while the force-spectroscopic mode accurately detected the diffused layer and determined the total brush thickness. The results showed the ion-screening effect and higher brush hydration propensity of multivalent ions, and how different cation valencies affected the dimensionality of the layered structure. This study highlights the utility of AFM in revealing contextual phenomena arising from the unique properties of zwitterionic polymers.
Meeting Abstract
Chemistry, Multidisciplinary
Brian Conway, Min Liang, Xin-Xing Zhang, Mark Maroncelli
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)