Article
Polymer Science
Harnoor Singh Sachar, Bhargav Sai Chava, Turash Haque Pial, Siddhartha Das
Summary: The nanoconfinement induced by PE brushes significantly weakens hydrogen bonds between water molecules; as the degree of brush-induced confinement increases, water-water hydrogen bonds weaken. In addition, rotational motion of water molecules becomes sluggish inside highly grafted PE brushes.
Article
Chemistry, Multidisciplinary
Yuan Gao, Mengtian Yin, Haozhe Zhang, Baoxing Xu
Summary: This study presents a method of suppressing the outflow of liquid confined in hydrophobic nanopores by using an electric field. Molecular dynamics simulations demonstrate that the presence of an electric field can strengthen hydrogen bonds and delay degradations of the associated networks during the outflow process. The extracted outflow deformation and strength quantitatively characterize the electrical suppression effect and agree well with the simulations. This research proposes a practical means of impeding fast liquid outflow in hydrophobic nanopores, potentially useful for devising nanofluidics-based functional structures and devices with controllable performance.
Article
Chemistry, Multidisciplinary
Hangchao Wang, Jin Song, Kun Zhang, Qiu Fang, Yuxuan Zuo, Tonghuan Yang, Yali Yang, Chuan Gao, Xuefeng Wang, Quanquan Pang, Dingguo Xia
Summary: This study presents a solid-state electrolyte based on polyglycol oxide with a wide electrochemical window, high ionic conductivity, and anti-dendritic growth properties, showing promising results for safe, high-energy, and long-life solid-state Li metal batteries.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Physical
Brahmananda Chakraborty, Dhanadeep Dutta
Summary: The low temperature behavior of water confined in MCM41 mesopores with sub-monolayer of hydration levels has been studied using Molecular Dynamics (MD) simulations. It was found that water molecules at the lowest hydration level undergo a first order-like discontinuous structural phase transition at around 230 K.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Harnoor Singh Sachar, Turash Haque Pial, Vishal Sankar Sivasankar, Siddhartha Das
Summary: Energy generation through nanofluidics using charged polyelectrolyte (PE) brushes in nanochannels can lead to simultaneous electrokinetic energy generation and flow enhancement, known as the electroslippage effect.
Article
Chemistry, Multidisciplinary
Badri Narayanan Narasimhan, Gerrit Sjoerd Deijs, Sesha Manuguri, Matthew Sheng Hao Ting, M. A. K. Williams, Jenny Malmstrom
Summary: Hydrogels with tunable dissipative properties were produced by photopolymerizing a second polymer within a preformed cross-linked hydrogel network of poly(acrylamide). Gels incorporating a second network made with poly(tannic acid) showed excellent stiffness and toughness compared to counterparts made with poly(acrylic acid), demonstrating a modular design approach for tailored substrates in cell culture studies and load bearing tissue engineering applications.
NANOSCALE ADVANCES
(2021)
Article
Chemistry, Multidisciplinary
Wei Fang, Kastur M. Meyer Auf Der Heide, Christopher Zaum, Angelos Michaelides, Karina Morgenstern
Summary: The study observed the diffusion of water trimers on a copper surface at unexpectedly low temperatures (<10 K) using scanning tunneling microscopy, revealing a unique diffusion process involving structural rearrangements. Density functional theory calculations showed that the diffusion of hydrogen-bonded clusters can occur at exceedingly low temperatures without the need for hydrogen bond breakage or exchange, impacting the Ostwald ripening of ice nanoclusters and hydrogen bonded clusters.
Article
Biochemistry & Molecular Biology
Andrea Correa, Antonio De Nicola, Giuseppe Scherillo, Valerio Loianno, Domenico Mallamace, Francesco Mallamace, Hiroshi Ito, Pellegrino Musto, Giuseppe Mensitieri
Summary: The diffusion process of water molecules within a polyetherimide (PEI) glassy matrix has been analyzed through experimental analysis of water sorption kinetics by FTIR spectroscopy, combined with theoretical information from Molecular Dynamics simulations, and with the expression of water chemical potential provided by a non-equilibrium lattice fluid model. This analysis allowed for a convincing description of the diffusion mechanism of water in PEI, providing molecular details of the process related to the effects of the cross- and self-hydrogen bonding established in the system on the dynamics of water mass transport.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Jakob Heller, Wai Kit Tang, Ethan M. Cunningham, Ephrem G. Demissie, Christian van der Linde, Wing Ka Lam, Milan Oncak, Chi-Kit Siu, Martin K. Beyer
Summary: Infrared multiple photon spectroscopy was used to probe the structure of hydrated singly charged aluminum ions. The Al-H vibration frequency is highly sensitive to the hydrogen bonding network, and the hydride can act as a double hydrogen bond acceptor. The onset of hydrogen bonding and disappearance of the free Al-H stretch coincides with the onset of hydrogen evolution.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Faiz-Ur Rahman, Rui Wang, Hui-Bin Zhang, Oriana Brea, Fahmi Himo, Julius Rebek, Yang Yu
Summary: This article describes a water-soluble cavitand with a benzotriazole upper rim, and investigates its complexation with different types of molecules.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Yaqi Hou, Miao Wang, Xinyu Chen, Xu Hou
Summary: The continuous water-water hydrogen bonding network across the rims of carbon nanotubes plays a key role in facilitating water transport, with the water flux being two times higher than without the continuous hydrogen bonding network. Utilizing densely packed thin carbon nanotubes in arrays is the most advisable strategy for evaporation desalination, providing high transport flux and maintaining high salt rejection.
Article
Polymer Science
Jing Lu, Amirjalal Jalali, Jianqi Yao, Qin Ma, Jiajie Yin, Ruiyan Zhang, Faliang Luo
Summary: Establishing intermolecular hydrogen bonding can enhance the brittleness of polyamide 6,12 (PA6,12) and improve toughness and notched impact strength in composite materials.
JOURNAL OF APPLIED POLYMER SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Ke Zhang, Ling-Ya Peng, Xin-Xin Liu, Xin Xu, Wei-Hai Fang, Ganglong Cui, Yu-Zhe Chen, Chen-Ho Tung, Li-Zhu Wu
Summary: In this study, we present an aromatic amide skeleton that can manipulate triplet excited states to achieve bright and long-lived blue phosphorescence. The aromatic amides promote strong spin-orbit coupling and enable multiple channels for emitting states. By forming robust hydrogen bonding with polyvinyl alcohol, non-radiative relaxations are suppressed, resulting in high quantum yields of phosphorescence in confined films. The blue afterglow of the films can be used in various applications such as information display and anti-counterfeiting. The smart aromatic amide skeleton provides a potential molecular design prototype for controlling triplet excited states and achieving ultralong phosphorescence with different colors.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Analytical
Teng Zhou, Juncheng Zhao, Xiaohan He, Liuyong Shi, Liping Wen
Summary: Functionalized nanoparticles and nanochannels are widely used in various fields due to their unique properties. In this study, we established a theoretical model to investigate the impact of brush layer roughness on the charge density of nanoparticles. Our results show that as roughness increases, the charge density decreases, and as the concentration increases, the charge density tends to normalize. Additionally, the grafting density has little effect on the charge density. These findings provide valuable theoretical support for the application of nano-modification technology.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Engineering, Chemical
X. Ren, E. Gobrogge, F. L. Beyer
Summary: The amount and states of water in a polymer electrolyte significantly affect the material's performance in applications such as fuel cells and electrolyzers. The study investigated the effect of thermal annealing on water-ionic cluster networks, confirming the formation of a robust polymer matrix with restricted water-ionic clusters. Additionally, fuel cell performance tests showed improved stability in cathode catalyst layers when the catalyst was annealed, highlighting the importance of thermal history in electrochemical energy conversion device fabrication.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Daiki Ihara, Yuji Higaki, Norifumi L. Yamada, Fumiya Nemoto, Yasuhiro Matsuda, Ken Kojio, Atsushi Takahara
Summary: The molecular mechanisms underlying the cononsolvency of PMPC in ethanol-water mixtures were studied through a combination of statistical mechanical models and neutron reflectivity experiments. The preferential interaction of water and the strong cooperativity of ethanol were identified, resulting in the collapsed PMPC chains being more solvated with water than the bulk mixed solvent at an ethanol volume fraction of 0.90.
Article
Chemistry, Multidisciplinary
Daiki Murakami, Kosuke Yamazoe, Shin-nosuke Nishimura, Naoya Kurahashi, Tomoya Ueda, Jun Miyawaki, Yuka Ikemoto, Masaru Tanaka, Yoshihisa Harada
Summary: In this study, the local hydrogen-bonded configuration of water on blood-compatible and non-blood-compatible materials was investigated. The presence of water induced phase separation in the materials, facilitating further water uptake. The amount of intermediate water was influenced by functional groups, polymer configuration, and morphology. These complex water/polymer interactions are crucial for blood compatibility.
Editorial Material
Chemistry, Multidisciplinary
Atsushi Takahara, Walter Richtering, Gilbert C. Walker
Article
Chemistry, Multidisciplinary
Kosuke Yamazoe, Yuji Higaki, Yoshihiro Inutsuka, Jun Miyawaki, Atsushi Takahara, Yoshihisa Harada
Summary: By adjusting the in-plane spacing of polymer brush chains, the researchers studied how it affects the hydrogen bond configuration of water molecules. They found that at a certain in-plane density, water molecules transitioned from tetrahedral coordination to distorted or broken hydrogen-bonded configurations.
Article
Multidisciplinary Sciences
Zan Li, Yin Zhang, Zhibo Zhang, Yi-Tao Cui, Qiang Guo, Pan Liu, Shenbao Jin, Gang Sha, Kunqing Ding, Zhiqiang Li, Tongxiang Fan, Herbert M. Urbassek, Qian Yu, Ting Zhu, Di Zhang, Y. Morris Wang
Summary: This study reports a strategy of dispersing nanoparticles in nanograins to simultaneously enhance and stabilize the properties of certain metals, such as strength, ductility, thermal stability, and electrical conductivity.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Wenxiong Zhang, Eiji Hosono, Daisuke Asakura, Shingo Tanaka, Masaki Kobayashi, Naoka Nagamura, Masaharu Oshima, Jun Miyawaki, Hisao Kiuchi, Yoshihisa Harada
Summary: This study used microscopic resonant photoelectron spectroscopy to reveal the electronic structure differences of different crystal facets in LiCoO2 cathode particles, finding that the (012) facet is more reactive compared to other facets.
Article
Polymer Science
Yuji Higaki, Masaya Takahashi, Takumi Masuda
Summary: The phase behavior of double zwitterionic diblock copolymers composed of PCB2 and PSB4 has been investigated in aqueous solutions. Phase diagrams were constructed for different polymer concentrations and PSB4 volume fractions, showing symmetric characteristics above a certain concentration. The morphology transitions from columnar to lamellar to columnar with decreasing polymer concentration, and the phase boundaries exhibit a negative slope below a certain concentration. The unique molecular compartment formed by the lyotropic mesophase of double hydrophilic block copolymers provides a low interfacial tension environment for hydrophilic molecules.
MACROMOLECULAR CHEMISTRY AND PHYSICS
(2023)
Article
Polymer Science
Yuji Higaki, Naoki Kuraoka, Takumi Masuda, Mai Nakamura, Emi Hifumi
Summary: English Summary: Cononsolvency refers to the phenomenon where a polymer collapses in specific compositions of good solvent mixtures. In this study, the coil-globule-coil transitions of two zwitterionic polymers, PCB2 and PMPC, were investigated and compared in water, ethanol, and water-ethanol mixed solvents. PCB2 exhibited cononsolvency in water-ethanol mixed solvents with specific ethanol volume fractions. A statistical mechanical model involving competitive hydrogen bonding and cooperative hydration explained the reentrant square well-type sharp coil-globule transition observed in PCB2. PCB2 showed a broader cononsolvency range than PMPC due to its lower association constants of water and ethanol and stronger competition for hydrogen bonding. The zwitterion-specific cononsolvency characteristics were explained based on electrostatic potentials and van der Waals energies.
Editorial Material
Chemistry, Multidisciplinary
Hendrik Heinz, Yogesh M. Joshi, Hongbo Zeng, Heng-Kwong Tsao, Sissi J. A. de Beer, Erin Koos, Atsushi Takahara, Gilbert C. Walker
Article
Polymer Science
Yuji Higaki, Takumi Masuda, Mai Nakamura, Masaya Takahashi
Summary: The cononsolvency-induced solvent composition-specific self-assembly of a double hydrophilic diblock copolymer was studied. The copolymer dissolved in water and ethanol but aggregated in mixtures with a specific ethanol volume fraction range due to the cononsolvency of one of its components. The copolymer produced well-ordered mesoscopic lattice structures in water-ethanol mixed solvents, and the morphology depended on the ethanol fraction and polymer concentration.
Article
Polymer Science
Yuji Higaki, Honoka Toyama, Takumi Masuda, Shingo Kobayashi, Masaru Tanaka
Summary: This study synthesized double-hydrophilic block copolymers composed of a water-soluble zwitterionic polymer and a water-insoluble nonionic polymer. The assembly characteristics of these copolymers in water were investigated, and it was found that the size of particles and microphase-separated structures depended on the composition and degree of polymerization of the copolymer. Furthermore, the assembly behavior was not affected by the concentration of salt.
Article
Materials Science, Multidisciplinary
Yucheng Zhang, Koichi Hasegawa, Sota Kamo, Kiyoka Takagi, Atsushi Takahara
Summary: Epoxy adhesives are crucial in the manufacturing of various components and products in industrial and daily use. Modifying the surface of adherents with PGMA greatly improves the lap shear strength of epoxy adhesive-bonded joints. The effect of PGMA layer thickness on reinforcement is still uncertain.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Sinan Feng, Yokajaksusri Nutthon, Hiroyasu Masunaga, Sono Sasaki, Roman Selyanchyn, Shigenori Fujikawa, Shinichi Murata, Atsushi Takahara
Summary: This study investigated the impact of morphology on the gas transport properties of a poly-(ether-block-amide) (PEBA) multiblock copolymer. Annealing temperature was varied to evaluate changes in microstructure and gas transport properties of PEBA. Time-resolved attenuated total reflection Fourier transform infrared spectroscopy was used to determine the diffusion coefficient of CO2 in PEBA. The findings revealed a 38% increase in CO2 permeability in the annealed sample, while maintaining a high CO2/N-2 permselectivity.
Article
Chemistry, Applied
Makoto Uyama, Atsushi Takahara, Yuji Higaki, Norifumi L. Yamada, Hiroki Iwase
Summary: The structural changes of PEG-12 dimethicone caused by water contents and shear flow were evaluated, revealing a reorientation of plate-like lamellar structures at high concentrations and a lack of lamella-to-vesicle transitions. PEG-12 dimethicone was found to form a bi-layer structure on hydrophilized Si-wafer in a similar manner to that in bulk.
JOURNAL OF OLEO SCIENCE
(2022)
Article
Chemistry, Physical
Ken Kojio, Aya Fujimoto, Chigusa Nagano, Shuhei Nozaki, Kazutoshi Yokomachi, Kazutaka Kamitani, Hirohmi Watanabe, Atsushi Takahara
Summary: In this study, the specific deformation behavior of crystalline polymer films under a multiaxial stress field was investigated. The experiments revealed that the string-shaped crystalline polymer chain structure produces local anisotropic uniaxial stress, leading to changes in the aggregation structure of the films.
