Article
Chemistry, Physical
Jie Wang, Zongchun Gao, Xianhua Jin, Donglin Fang, Jin Xu, Xuerong Fan
Summary: This study focused on the effects of two hydrophilic groups on the aggregation behavior of WPET, as well as the effects of concentration, temperature, and electrolytes. The results showed that a higher sulfonate group content in WPET leads to higher stability, while the effect of PEG content on dispersion stability is unclear. These findings can effectively control and improve the stability of WPET solutions and provide guidance for the prediction of dispersion and stability for molecules not yet synthesized.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Multidisciplinary Sciences
Yige Zhang, Xiaowen Xie, Jianliang Liu, Boyuan Tang, Can Fang, Xiaoming Liu, Zhifeng Dai, Yubing Xiong
Summary: This study designed and synthesized azobenzimidazole ionic liquids with reversible photo-induced conductivity regulation. The change of electrical conductivity under UV/visible light irradiation was investigated, and the effect of chemical structure and concentration of the ionic liquids on the photoresponse conductivity regulation was discussed. The results showed that UV light significantly increased the conductivity of the ionic liquid, with longer alkyl chains leading to even greater increases. Visible light irradiation returned the electrical conductivity to its initial value. The reversible photo-induced conductivity regulation was attributed to the formation/dissociation of ionic liquid aggregates induced by the isomerization of azobenzene under light irradiation.
SCIENTIFIC REPORTS
(2023)
Article
Polymer Science
Takuya Mabuchi, Junko Kijima, Yukino Yamashita, Erika Miura, Takahiro Muraoka
Summary: In this study, coarse-grained molecular dynamics simulations were used to investigate the formation and properties of elastin-like polypeptide (ELP) coacervates. It was found that coacervate formation was enhanced with increasing polymer concentration and length, while the internal structure and dynamics properties inside the coacervate phase remained similar. The ion and water concentrations as well as the diffusion coefficients of water inside a coacervate were reduced compared to bulk water. The simulations also demonstrated the preferential partitioning of RNA polymers inside coacervates based on their hydrophobic modification. These findings provide insights into controlling coacervate formation and stability under various conditions and have implications for the design of new biopolymers with desired properties.
Article
Polymer Science
Takuya Mabuchi, Junko Kijima, Yukino Yamashita, Erika Miura, Takahiro Muraoka
Summary: We investigated the formation, internal structural and dynamics properties of elastin-like polypeptide (ELP) coacervates using coarse-grained molecular dynamics simulations. Coacervate formation was enhanced with higher polymer concentration and length. The structural and dynamic properties inside the coacervate phase remained unchanged for coacervates of different polymer concentrations and lengths. The ion and water concentrations as well as the diffusion coefficients of water inside a coacervate were reduced compared with bulk water. Experimental observations of ELP phase separation behaviors were qualitatively consistent with the simulation results. Additionally, our simulations showed that hydrophobic modification of an RNA polymer favored its localization inside a coacervate and led to a larger radius of gyration.
Article
Biochemistry & Molecular Biology
Li Wang, Rui Xu, Ruohua Liu, Peng Ge, Wei Sun, Mengjie Tian
Summary: The study revealed that mixed systems of DDA and NaOL more easily formed aggregates and exhibited higher surface activity, with stronger interactions in the 1:1 molar ratio mixed system. Electrostatic interactions were found to be the main contributors to improved aggregation in the mixed systems, along with hydrogen bonds between NaOL and DDA. These findings suggest that mixed NaOL/DDA surfactants have great potential in mineral flotation applications.
Article
Chemistry, Multidisciplinary
Guohui Zhou, Kun Jiang
Summary: Molecular dynamics simulations were used to study the tubular cluster aggregations formed by 1-dodecyl-3-methylimidazolium salicylate, revealing a nanotube structure enclosed by a bilayer membrane with distinct distributions of imidazolium ring and anions near the water interface. Electrostatic interactions played a key role in stabilizing the structure, while long alkyl chains in aqueous solution could lead to the formation of various aggregation structures.
Article
Multidisciplinary Sciences
Sabarish Radoor, Jasila Karayil, Aswathy Jayakumar, Jyotishkumar Parameswaranpillai, Jaewoo Lee, Suchart Siengchin
Summary: A novel bio adsorbent was developed by incorporating turmeric into polyvinyl alcohol and carboxymethyl cellulose film, which exhibited enhanced biodegradability, antibacterial activity, and thermomechanical properties. The resulting PVA/CMC/TUR film showed a high adsorption capacity for MB dye and could be potentially used as a cheap adsorbent for water treatment.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Multidisciplinary
Lina Meng, Wenyu Wang, Lei Li, Shengyu Feng
Summary: A series of sulfonate silicone surfactants with different hydrophobic groups were synthesized and their adsorption and thermodynamic parameters in aqueous solutions were investigated. These anionic sulfonate-based silicone surfactants exhibited significant surface activity and could reduce the surface tension of water to 19.6 mN m(-1) at critical micelle concentration. TEM and DLS results revealed that these three sulfonated silicone surfactants self-assembled into homogeneous vesicle-like aggregates in aqueous solution, with the size ranging from 80 to 400 nm at 0.05 mol L-1.
Article
Polymer Science
Zhukang Du, Tao Guan, Jintian Luo, Ning Sun, Biye Ren
Summary: Telechelic associative polymers (TAPs) can form a dynamic physical network in water and exhibit interesting solution viscoelastic behavior. In this work, two benzophenone (BP) end-functionalized poly(ethylene glycol) TAPs (BPC(n)TAPs, n = 6, 10) were designed and prepared, with BP moieties performing typical hydrogen abstraction reactions and consequent radical recombination under UV light irradiation. Particularly, BPC(10)TAP shows in situ chain extension and even crosslinking reactions in the core of micelles under light irradiation, leading to critical gelation behavior and a sol-gel transition.
Article
Chemistry, Physical
Arifa Shaheen, Arun Dhanagar, Rabia Arif
Summary: The interaction between anionic quantum dots (QDs) and a gemini surfactant [C(16)Im-3OH-ImC(16)]Br-2 in water resulted in luminescent self-assemblies. The surfactant self-associates into micelles before engaging with the QDs. The addition of the surfactant to the QD solution led to the formation of supramolecular and vesicle structures, with self-assembled QDs inside the spherical vesicles exhibiting luminescence.
Article
Chemistry, Multidisciplinary
Pan Huang, Han Jia, Tingyi Wang, Yingbiao Xu, Lingyu Zhang, Xin Wei, Haidong Jia, Shijie Wen, Kaihe Lv, Dexin Liu
Summary: This study investigated the impact of modification degrees on the colloidal stability of graphene-based amphiphilic Janus nanosheets, revealing a direct relation between modification degree and various properties of the nanosheets. The results showed that the nanosheets should be modeled differently in pure water and electrolyte solutions for prediction with the extended DLVO theory.
Article
Chemistry, Physical
Lina Meng, Wenyu Wang, Lei Li, Shengyu Feng
Summary: Three anionic silicone surfactants were synthesized from dichloromethylvinylsilane using hydrolysis-condensation, thiol-ene photochemical, and salting reaction. Their surface activity at the gas/liquid interface was investigated, and they were found to significantly reduce the surface tension of water. Transmission electron microscopy revealed the self-assembly of the surfactants into uniform-sized spherical aggregates in aqueous solution. Dynamic light scattering results showed that the size of the aggregates ranged from 60 to 300 nm at 0.05 mol L^-1, with the order of aggregate size being (Me3SiO)3SiCO2Li < (Me3SiO)3SiCO2Na < (Me3SiO)3SiCO2K.
Article
Chemistry, Multidisciplinary
Hiroya Nakauchi, Mizuo Maeda, Naoki Kanayama
Summary: DNA duplex-carrying polystyrene microparticles exhibited a specific interparticle attraction based on the duplex terminal sequences in high-salt aqueous solutions.
Article
Chemistry, Physical
Ishana Kathuria, Anupama Datta, Satish Kumar
Summary: A benzothiazolinic bromide salt of merocyanine form of spiropyran was synthesized and showed selective detection of HSO4- ion through color change and spectral shift. Aggregation studies revealed light-controlled aggregation, and 1H NMR confirmed the displacement of bromide by HSO4- ion. Computational studies provided details of complex stability, and electronic excitation parameters were calculated using TD-DFT for further explanation of observed absorption spectra.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Niloufar Safari, Farhad Shirini, Hassan Tajik, Giacomo Saielli
Summary: In this study, different derivatives of salts were synthesized and their aggregation behavior in different solvents and concentrations were investigated. The results showed that aggregation is less favored in methanol and more favored in acetone, demonstrating a strong dependency on the solvent polarity and concentration.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
