Article
Polymer Science
Bo Kyung Park, In Chul Um
Summary: The study found that as the relative humidity increased, the electrospinning rate of silk solution and the fiber diameter of the silk web decreased, leading to the formation of beads. FTIR results showed that the electrospun silk web was partially beta-sheet crystallized, and the relative humidity did not affect the molecular conformation of silk.
Article
Biochemistry & Molecular Biology
Brataraj Ghosh, Neelanjana Sengupta
Summary: This study reveals the impact of glucose as a molecular crowder on the solvent environment around protein surfaces in folded and intrinsically disordered states, showing differences in structural responses between the two states and the influence of glucose-induced crowding on hydration layers.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
(2021)
Article
Biotechnology & Applied Microbiology
He Yang, Zhiqiang Dong, Hongya Wang, Zicheng Liu, Wenbo Sun, Kun Wang, Xinfeng Xu, Wei Wen, Jun Wang, Liang Chen, Quan Zhu
Summary: This study designed a new method using oxidized regenerated cellulose and fibrin glue to cover the intersegmental plane in lung segmentectomy and prevent air leakage. The adhesive strength and effect on reducing air leakage were validated in an excised porcine lung segmentectomy model. The results showed that the combination of fibrin glue and oxidized regenerated cellulose had good sealing performance.
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY
(2022)
Article
Chemistry, Physical
P. P. Kobchikova, S. Efimov, I. A. Khodov, V. V. Klochkov
Summary: In this study, cyclosporins D, E, and G were characterized by NMR spectroscopy and molecular dynamics simulation to investigate their structure features and backbone flexibility. It was found that these peptides share common characteristics, with the exception of CsE, which lacks backbone dynamics at the nanosecond timescale, raising questions about its biological activity.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Applied
Emilia Heinonen, Gunnar Henriksson, Mikael E. Lindstrom, Francisco Vilaplana, Jakob Wohlert
Summary: This study used molecular dynamics simulations to investigate the adsorption of xylan onto cellulose fibrils. The results showed that xylan forms a rigid and ordered layer, serving as a transition phase to more flexible and disordered polysaccharide and lignin domains.
CARBOHYDRATE POLYMERS
(2022)
Article
Polymer Science
Kang Xie, Hu Tu, Zhengli Dou, Dingyao Liu, Kai Wu, Yuhang Liu, Feng Chen, Lina Zhang, Qiang Fu
Summary: The study reveals that the molecular weight of cellulose affects solubility, orientation, and mechanical properties of the fibers. When the molecular weight of cellulose is low, the fibers exhibit high orientation and crystallinity, leading to excellent mechanical properties. However, as the molecular weight increases, solubility decreases while the orientation and crystallinity reduce, ultimately affecting mechanical properties.
Article
Chemistry, Physical
Zainab Al-Maqdasi, Roberts Joffe, Ayoub Ouarga, Nazanin Emami, Shailesh Singh Chouhan, Anton Landstrom, Abdelghani Hajlane
Summary: The study found that the final copper plating step in the electroless process has a negative impact on the mechanical properties of the regenerated cellulose fibers, causing them to lose structural integrity and develop surface defects, leading to a substantial loss in mechanical strength. However, repeating the process or extending the plating time can increase the copper coating thickness and subsequently enhance the stiffness of the fibers.
Article
Polymer Science
Jie Yang, Xiaohu Yao, Zhaoxu Meng
Summary: This study investigates the molecular mechanisms of polyvinylidene fluoride (PVDF) influenced by temperature, electric poling, and mechanical stretching using molecular dynamics simulations. The results show that electric field and uniaxial deformation can induce the transformation from alpha-to beta-phase in PVDF and affect the dipole moment of the system. Mechanical stretching, on the other hand, significantly changes the chain conformations. The study also explores the synergistic effect of electric poling and mechanical stretching and provides molecular-level mechanisms for this effect.
Article
Materials Science, Multidisciplinary
Minh-Quy Le, Romesh C. Batra
Summary: In linear elastic fracture mechanics, the critical stress intensity factor is related to the surface energy calculated from the bond energy in the reference configuration. For nanomaterials, the difference in the computed critical stress intensity factor and other methods is attributed to lattice trapping. However, the energy release rate determined from the bond energy on the crack surface in the current configuration agrees with the results estimated by traditional methods.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Weizhi Zhu, Jilun Guan, Wenjing Li, Huayang Fang, Mei He, Jianping Sun, Yiqiang Wu, Yanqiu Zhu, Fangchao Cheng
Summary: The dissolution of cellulose allows for a wider range of processing properties and enhances its advantages as a basic material. However, its unsatisfactory mechanical performance and functionality limit its practical application. This study developed a molecular orientation strategy to obtain high-performance cellulose films with improved mechanical and optical properties.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Biochemistry & Molecular Biology
Shen Song, Xiaoyuan Liu, Ling Ding, Mohamed Aamer Abubaker, Ji Zhang, Yulong Huang, Shengrong Yang, Zengjie Fan
Summary: The study prepared a water-soluble bacterial cellulose sulfate using sulfur trioxide pyridine complex and bacterial cellulose, which exhibited shear thinning behavior and temperature-sensitive weak elastic gel characteristics based on rheological properties. The modified bacterial cellulose existed in linear polymer form in aqueous solution and could potentially be used as a renewable material in the field of biological tissue engineering.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Green & Sustainable Science & Technology
Hui Yao, Junfu Liu, Yiran Wang, Xin Li, Jiani Zeng, Jianrong Li, Jie Ji, Qingli Dai, Zhanping You
Summary: This paper explores the foaming mechanism and basic properties of foamed asphalt, using expansion rate, half-life, and microscopic images to describe the foaming properties. Molecular Dynamics simulations are applied to investigate the mechanism and performance of foamed asphalt. A molecular model of foamed asphalt is established, providing valuable references for industry and fundamental research.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Chemistry, Physical
Alessandro Ruda, Goran Widmalm, Jakob Wohlert
Summary: The study compared molecular conformations and solvation free energies of methylated carbohydrates using simulations and experimental data, validating the effectiveness of interaction potentials for specialized purposes. It revealed that 6-O-methylation has minimal impact on exocyclic torsion, with consistent solvation free energies between nonmethylated and methylated molecules.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Multidisciplinary
Jieying Lin, Jinfeng Deng, Zhenyin Huang, Hanyu Dong, Aiping Chang, Hu Zhu
Summary: The solubility of Sphingan WL gum (WL) was investigated in this study. Alkali treatment was found to improve the solubility of WL but also worsen its rheological properties. The alkali caused hydrolysis and deprotonation of acetyl and carboxyl groups, and destroyed the ordered arrangement and entanglement of polysaccharide chains. The results suggest that the alkali-treated WL could be more suitable for postmodification and application.
Article
Chemistry, Multidisciplinary
Xiaoyu Wang, Wenqiu Zheng, Zongwei Guo, Haq Nawaz, Tingting You, Xin Li, Feng Xu
Summary: A sustainable superbase-derived ionic liquid (SIL) with excellent solubility in dissolving wood pulp (DWP) was demonstrated. The solution showed temperature-sensitive properties and resulted in regenerated cellulose films with high transparency and outstanding mechanical properties.
Article
Chemistry, Medicinal
Satoyuki Takahara, Kiyomi Nakagawa, Tsugumi Uchiyama, Tomoyuki Yoshida, Kazunori Matsumoto, Yasuo Kawasumi, Mineyuki Mizuguchi, Takayuki Obita, Yurie Watanabe, Daichi Hayakawa, Hiroaki Gouda, Hisashi Mori, Naoki Toyooka
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2018)
Article
Chemistry, Medicinal
Sayaka Ohrui, Naoshi Yamamoto, Tsuyoshi Saitoh, Noriki Kutsumura, Yasuyuki Nagumo, Yoko Irukayama-Tomobe, Yasuhiro Ogawa, Yukiko Ishikawa, Yurie Watanabe, Daichi Hayakawa, Hiroaki Gouda, Masashi Yanagisawa, Hiroshi Nagase
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2018)
Article
Chemistry, Inorganic & Nuclear
Erika Asano, Yuki Hatayama, Nobutaka Kurisu, Atsufumi Ohtani, Toru Hashimoto, Youji Kurihara, Kazuyoshi Ueda, Shinji Ishihara, Hirotaka Nagao, Yoshitaka Yamaguchi
DALTON TRANSACTIONS
(2018)
Article
Pharmacology & Pharmacy
Ichiro Takasaki, Ai Watanabe, Masafumi Yokai, Yurie Watanabe, Daichi Hayakawa, Ryota Nagashima, Mamoru Fukuchi, Takuya Okada, Naoki Toyooka, Atsuro Miyata, Hiroaki Gouda, Takashi Kurihara
JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS
(2018)
Article
Chemistry, Inorganic & Nuclear
Nobutaka Kurisu, Erika Asano, Yuki Hatayama, Youji Kurihara, Toru Hashimoto, Kei Funatsu, Kazuyoshi Ueda, Yoshitaka Yamaguchi
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2019)
Article
Biochemistry & Molecular Biology
Naoshi Yamamoto, Sayaka Ohrui, Takahiro Okada, Tsuyoshi Saitoh, Noriki Kutsumura, Yasuyuki Nagumo, Yoko Irukayama-Tomobe, Yasuhiro Ogawa, Yukiko Ishikawa, Yurie Watanabe, Daichi Hayakawa, Hiroaki Gouda, Masashi Yanagisawa, Hiroshi Nagase
BIOORGANIC & MEDICINAL CHEMISTRY
(2019)
Article
Chemistry, Applied
Daichi Hayakawa, Hiroaki Gouda, Shuichi Hirono, Kazuyoshi Ueda
CARBOHYDRATE POLYMERS
(2019)
Article
Chemistry, Organic
Katsuki Takashima, Daichi Hayakawa, Hiroaki Gouda, Naoki Toyooka
JOURNAL OF ORGANIC CHEMISTRY
(2019)
Article
Chemistry, Medicinal
Ichiro Takasaki, Haruna Ogashi, Takuya Okada, Ayaka Shimodaira, Daichi Hayakawa, Ai Watanabe, Atsuro Miyata, Takashi Kurihara, Hiroaki Gouda, Naoki Toyooka
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2020)
Article
Nanoscience & Nanotechnology
Masaru Sakomura, Yuya Yokokura, Yusuke Takagi, Kazuyoshi Ueda
Article
Biochemical Research Methods
Daichi Hayakawa, Nahoko Sawada, Yurie Watanabe, Hiroaki Gouda
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2020)
Article
Biochemistry & Molecular Biology
Chiharu Iwamatsu, Daichi Hayakawa, Tomomi Kono, Ayaka Honjo, Saki Ishizaki, Shigeto Hirayama, Hiroaki Gouda, Hideaki Fujii
Article
Chemistry, Physical
Daichi Hayakawa, Yurie Watanabe, Hiroaki Gouda
Summary: This paper introduces an unpolarizable molecular model that explicitly describes electron distributions for halogen bonds, accurately describing the sigma-hole of halogens and the total interaction energy of the halogen bonds in halogen/H2O systems.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Medicinal
Naoshi Yamamoto, Sayaka Ohrui, Takahiro Okada, Masahiro Yata, Tsuyoshi Saitoh, Noriki Kutsumura, Yasuyuki Nagumo, Yoko Irukayama-Tomobe, Yasuhiro Ogawa, Yukiko Ishikawa, Yurie Watanabe, Daichi Hayakawa, Hiroaki Gouda, Masashi Yanagisawa, Hiroshi Nagase
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2017)
