Article
Biochemistry & Molecular Biology
Lee E. Hunt, Susan A. Bourne, Mino R. Caira
Summary: The study investigates the formation of eight new crystalline complexes between methylated cyclodextrins and bioactive phenolic acids. The complexes were classified based on the extent of inclusion of the guest molecules within the cavity of the cyclodextrin molecules. The results revealed three full guest encapsulation compounds, three partial guest inclusion compounds, and two rare 'non-inclusion' compounds.
Article
Chemistry, Multidisciplinary
Sangmin Lee, Thi Vo, Sharon C. Glotzer
Summary: In this study, hard truncated triangular bipyramids self-assemble into seven different colloidal clathrate crystals, consisting of cages that are either empty or occupied by guest particles. Monte Carlo simulations reveal that the crystallization occurs through the compartmentalization of entropy between low- and high-entropy subsystems for the host and guest particles. The researchers also use entropic bonding theory to design host-guest colloidal clathrates with explicit interparticle attraction for experimental realization.
Article
Chemistry, Physical
Chengyang Yuan, Zhongyin Zhang, Jie Zhu, Jiafei Zhao, Lunxiang Zhang, Lei Yang, Yongchen Song, Dawei Tang
Summary: The underlying mechanism of limited lattice thermal conductivity in energy-related host-guest crystalline compounds has been studied. By using the time domain thermoreflectance technique and theoretical calculations, the ultralow thermal conductivity of xenon clathrate hydrate was investigated. It was found that localized guest modes hybridize with acoustic branches and severely limit the acoustic contribution. Additionally, guest fillers were found to cause significant phonon scattering in a wide range of frequencies.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Benita Barton, Brandon Barnardo, Eric C. Hosten
Summary: In this study, it was found that compound H1 exhibited selective crystallization behavior when forming a complex with o-Xy, while H2 formed complexes with all four aromatic compounds. H1 showed high selectivity for o-Xy in binary mixtures and failed to crystallize from other mixtures, whereas H2 showed mixed complex formation but did not exhibit remarkable selectivity for any guest.
Article
Chemistry, Multidisciplinary
Clement Falaise, Soumaya Khlifi, Pierre Bauduin, Philipp Schmid, William Shepard, Anton A. Ivanov, Maxim N. Sokolov, Michael A. Shestopalov, Pavel A. Abramov, Stephane Cordier, Jerome Marrot, Mohamed Haouas, Emmanuel Cadot
Summary: In this study, the chaotropic effect of reduced molybdate ions in acidified aqueous solution was shown to significantly amplify weak supramolecular interactions, leading to the formation of large aggregates of molybdenum-blue oligomeric species and gamma-cyclodextrin. Time-resolved Small Angle X-ray Scattering (SAXS) analysis revealed the rapid formation of nanoscopic {Mo-154}-based host-guest species, while X-ray diffraction analysis showed the formation of an unprecedented three-component well-ordered core-shell-like motif. This work provides insights into self-assembly processes and offers new opportunities for designing complex multicomponent materials through non-covalent chemistry simplicity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Biochemistry & Molecular Biology
Antia Gonzalez Pereira, Maria Carpena, Paula Garcia Oliveira, Juan Carlos Mejuto, Miguel Angel Prieto, Jesus Simal Gandara
Summary: Cyclodextrins are widely used in food manufacturing as additives to improve sensory qualities and prolong shelf life. Studies show that they are harmless and have a promising future due to consumer demand for healthy products.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Ngoc N. Nguyen, Ruediger Berger, Manfred Wagner, Juergen Thiel, Hans-Juergen Butt, Robert Graf
Summary: This study uncovered the presence of liquid-like water molecules in (polar) tetrahydrofuran clathrates and demonstrated a two-stage dissociation process in these structures. In contrast, no liquid-like water molecules were found in (nonpolar) cyclopentane clathrates.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Food Science & Technology
Xingran Kou, Yaqi Zhang, Dongdong Su, Hui Wang, Xin Huang, Yunwei Niu, Qinfei Ke, Zuobing Xiao, Qingran Meng
Summary: This study characterized the inclusion complexes (ICs) of α-cyclodextrin (α-CD) with 13 aroma compounds and explored the host-guest interaction and stabilization mechanisms using various techniques. The results showed that aroma compounds weakened or disappeared after inclusion, and all ICs were crystalline. The molecular dynamics simulations revealed the preferential entry of the benzene ring and methyl group/double bond of α-terpineol into the hydrophobic cavity. The study aimed to provide a theoretical basis for the stable and controllable preparation of aroma embedding systems.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2023)
Article
Energy & Fuels
Hao Chen, Ke-Feng Yan, Zhao-Yang Chen, Xiao-Sen Li, Yu Zhang, Chun-Gang Xu
Summary: This study systematically investigated the characteristics of host-guest interactions in gas hydrates using quantum mechanics calculations. It highlighted the significant impact of electrostatic interactions on stability, with molecules with higher maximum ESP values showing higher stabilization. The findings suggest that van der Waals volumes/surface areas and V-s,V-max values of guest molecules are key factors for gas hydrate stability.
Article
Chemistry, Multidisciplinary
Xian-Jiang Song, Tie Zhang, Zhu-Xiao Gu, Zhi-Xu Zhang, Da-Wei Fu, Xiao-Gang Chen, Han-Yue Zhang, Ren-Gen Xiong
Summary: By controlling momentum matching in the crystal structure, a high-temperature multiaxial host-guest inclusion ferroelectric was successfully designed, with a T-c of 415 K. Compared to the parent uniaxial ferroelectric with a T-c of 127 K, this design achieved a record temperature enhancement of 288 K, providing a wide working temperature range for applications.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Nicole M. Sykes, Hong Su, Susan A. Bourne, Luigi R. Nassimbeni
Summary: This study found that the host tetrakis (p-bromophenyl) ethylene can form inclusion compounds with 1,4-dioxane, cyclohexanone, dimethyl sulfoxide, and 3-pentanone, with their nonbonded host-guest interactions analyzed. The thermal decomposition of the two host center · dioxane polymorphs yielded different activation energies, and guest exchange kinetics were measured for different host-guest pairs. The reaction between host center · cyclohexanone and host · 3-pentanone was found to be deceleratory and follow the decreasing area law.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Sergey Titov, Vitaly G. Avakyan
Summary: The method of molecular dynamics was used to model crystal structures based on dimers and trimers of beta-cyclodextrin containing luminescent complexes. A novel technique was developed to construct these crystals. The obtained structures are stable and allow for the explanation of the observable luminescence properties. This technique is promising for the prediction of new crystal structures and obtaining important supramolecular crystals.
Article
Chemistry, Multidisciplinary
Shanshan Li, Dongxu Lv, Jia Chu, Ning Ai
Summary: This research introduces a simple approach to prepare polymeric supramolecular microstructures through non-covalent self-assembly induced by host-guest co-crystallization. The morphology of the inclusion compounds can be converted from particles to platelets, providing a new avenue for the design and construction of polymeric supramolecular complexes.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Biochemical Research Methods
Guang Li, Wen Gong, Lei Yang, Ming Cheng, Hewei Yan, Jiaxin Quan, Fan Zhang, Zhiyan Lu, Haibing Li
Summary: The study successfully fabricated a planar-chiral NH2pillar[5]arene modified silicon surface for highly enantioselective adsorption of proteins, providing deeper insights into the chiral influence of protein adsorption on biointerfaces.
BIOCONJUGATE CHEMISTRY
(2022)
Article
Chemistry, Physical
Chang Yeop Oh, Sol Geo Lim, Sun Ha Kim, Jong-Won Lee, Ji-Ho Yoon
Summary: Hydroquinone (HQ) clathrates prepared by a gas-phase synthesis between HQ host molecules and CO2 gas were characterized via various techniques. The results revealed the transformation of α-HQ to β-HQ clathrate compounds and the trapping of CO2 molecules in the HQ clathrate frameworks. Temperature-dependent experiments showed the release of CO2 molecules from the β-HQ clathrates and the structural transition from β-HQ to α-HQ. The reactivity of CO2 in forming β-HQ clathrates was found to be faster than that of N-2 and CH(4).
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Satoshi Takeya, Sanehiro Muromachi, Akio Yoneyama, Keiichi Hirano, Kazuyuki Hyodo, John A. Ripmeester
Summary: Methane hydrate in the superheated state can be stored for a long time, and by coating it with other hydrates, the need for a defect-free interface between different hydrates can be eliminated. This study found that liquid cyclopentane can keep gas hydrate crystals intact and convert the outer layer of methane hydrate into cyclopentane hydrate.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Energy & Fuels
Satoshi Takeya, Sanehiro Muromachi, Akio Yoneyama
Summary: Monochromatic X-rays can provide better contrast for differentiating clathrate hydrates and water in absorption contrast X-ray images. This is significant for analyzing co-existing low-density materials.
Article
Energy & Fuels
Meku Maruyama, Shun Kao, Hitoshi Kiyokawa, Satoshi Takeya, Ryo Ohmura
Summary: In this study, clathrate-hydrate-based continuous CO2 capture was experimentally investigated, and it was found that the CO2 concentration rate and recovery ratio were lower compared to pre-combustion systems. However, it was revealed that improving the geometry of mixing impellers could enhance the CO2 recovery ratio for continuous operation.
Article
Chemistry, Organic
Hiroto Miyabe, Mizuha Ujita, Masaki Nishio, Toyotaka Nakae, Tsukasa Usuki, Minako Ikeya, Chika Nishimoto, Suguru Ito, Mineyuki Hattori, Satoshi Takeya, Shigenobu Hayashi, Daisuke Saito, Masako Kato, Hiroshi Nishihara, Teppei Yamada, Yoshinori Yamanoi
Summary: A series of octamethyltetrasilanes with different donor and acceptor groups were prepared and their optical properties were studied. Two compounds showed dual emission behavior in solution and reversible photoluminescent change under mechanical and thermal stimuli in the solid state.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Satoshi Takeya, Daisuke Yahagi, Akihiro Hachikubo
Summary: The crystallographic structure and dissociation kinetics of thermodynamically unstable structure I carbon monoxide (CO) hydrate were investigated, along with the dissociation of binary gas hydrates involving CO and other gases. The phase transition of ice formed by CO hydrate dissociation was found to be crucial for the kinetic stability of the hydrate.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Engineering, Chemical
Akari Gibo, Seiya Nakao, Sayaka Shiraishi, Satoshi Takeya, Shigeo Tomura, Ryo Ohmura, Keita Yasuda
Summary: A dual functional methodology for seawater desalination and salt manufacture using carbon dioxide clathrate hydrate was proposed in this study, demonstrated by visual observation of clathrate hydrate formation and salt precipitation along with PXRD analysis.
Article
Chemistry, Physical
Yong Chen, Satoshi Takeya, Amadeu K. Sum
Summary: This study reports the observation of a hidden clathrate structure, the tetragonal structure (TS-I), in gas hydrates. The TS-I forms as a cocrystal when two or more sI crystal grains with different growth directions come into contact or when the growth of an sI crystal encounters geometrical frustration. The results imply that TS-I may play an important role in the combination and/or transition between sI and sII.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Thermodynamics
Akihiro Hachikubo, Go Fuseya, Emi Sugimori, Satoshi Takeya
Summary: In this study, the pressure dependence of the hydration number of argon hydrate and the equilibrium pressure at different temperatures were measured. The hydration number of argon hydrate decreased with increasing formation pressure and approached the value of the ideal hydration number of sII hydrate. The results of both measurements were consistent with each other.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2022)
Article
Multidisciplinary Sciences
Yong Chen, Satoshi Takeya, Amadeu K. Sum
Summary: Clathrate hydrates are ordered structures stabilized by hydrophobic interactions between water and guest molecules. In this study, an alternative method is proposed to understand the complex structures of clathrate hydrates, revealing the diverse crystalline hydrogen-bonded networks that can be formed. The topological dual relations between clathrate hydrate networks and tetrahedrally close-packed structures provide insights into their nucleation, phase transition, and co-existence mechanisms. Molecular dynamics simulations are employed to explore the intrinsic structural relationships of clathrate hydrates and other unrelated ordered materials.
NATURE COMMUNICATIONS
(2023)
Article
Thermodynamics
Akihiro Hachikubo, Kaede Takizawa, Satoshi Takeya
Summary: The stable isotope fractionation between nitrogen gas and hydrate phases during nitrogen hydrate formation was investigated. It was found that nitrogen hydrate was slightly more susceptible to 14N15N inclusion, indicating a slightly lower equilibrium pressure for 14N15N hydrate compared to 14N2 hydrate.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Chemistry, Physical
Satoshi Takeya, Hiroshi Fujihisa, Saman Alavi, Ryo Ohmura
Summary: We report a thermally induced phase transition of cubic structure II hydrates of tetrahydropyran (THP) and CO2 below about 140 K. The phase transition was characterized by powder X-ray diffraction measurements at variable temperatures. A dynamical ordering of the CO2 guests in small pentagonal dodecahedral 512 host water cages, not previously observed in the simple CO2 hydrate, occurs simultaneously with the symmetry lowering transition from a cubic structure II to a tetragonal unit cell.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Akio Yoneyama, Daiko Takamatsu, Thet-Thet Lwin, Shigehito Yamada, Tetsuya Takakuwa, Kazuyuki Hyodo, Keiichi Hirano, Satoshi Takeya
Summary: Crystal-based X-ray interferometry (CXI) detects X-ray phase shifts with the highest sensitivity among the X-ray phase-detecting methods. Phase-contrast X-ray imaging (PCXI) using CXI has the highest density resolution and has been widely applied in various fields. Novel imaging methods have also been developed to take advantage of CXI's high sensitivity, such as visualization of the effective atomic number and the three-dimensional temperature. This article reviews the principles, history, and potential applications of PCXI and CXI systems.
APPLIED SCIENCES-BASEL
(2023)
Article
Materials Science, Multidisciplinary
Sol Geo Lim, Jong-Won Lee, Hiroshi Fujihisa, Chang Yeop Oh, Jiyeong Jang, Dohyun Moon, Satoshi Takeya, Michihiro Muraoka, Yoshitaka Yamamoto, Ji-Ho Yoon
Summary: Researchers have successfully synthesized a hydroquinone clathrate structure that can stably capture neon gas at room temperature and atmospheric pressure, and release it at high temperatures. The structure allows for encapsulation of neon gas in the one-dimensional channels of the clathrate framework, with inter-cage migration through the hexagonal entrance. This study has important implications for the storage and controlled release of noble gases in solid materials.
COMMUNICATIONS MATERIALS
(2023)
Article
Energy & Fuels
Takashi Morimoto, Rikuto Suzuki, Sho Kuromatsu, Takeshi Watanabe, Shinji Koh, Satoshi Takeya, Takaaki Inada, Hiroyuki Kumano
Summary: The addition of Zn-ZnO to TBAB aqueous solution was found to significantly promote nucleation of TBAB hydrate. However, the nucleation-promoting mechanism of Zn-ZnO is still unclear.
GAS SCIENCE AND ENGINEERING
(2023)
Article
Chemistry, Physical
Yoshiharu Suzuki, Satoshi Takeya
Summary: Metastable forms of ice and their crystal growth are crucial in various areas. This study investigates the effects of solute on the crystal growth of ice in dilute solution and reveals the inhibitory effect of trehalose on ice crystal growth, which results in easier sublimation of ice.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
