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排序方式: 共有337条查询结果,搜索用时 15 毫秒
21.
Takuya Uto Takashi Hosoya Sachio Hayashi Toshifumi Yui 《Cellulose (London, England)》2013,20(2):605-612
In hot-water molecular dynamics simulation at 370 K, four cellulose IIII crystal models, with different lattice planes and dimensions, exhibited partial crystalline transformations of (1 ?1 0) chain sheets, in which hydroxymethyl groups were irreversibly rotated from gt into tg conformations, accompanied by hydrogen-bond exchange from the original O3–O6 to cellulose-I-like O2–O6 bonds. The final hydrogen-bond exchange ratio was about 95 % for some of the crystal models after 50 ns simulation. The corrugated (1 ?1 0) chain sheet was converted to a cellulose-I-like flat chain sheet with a slightly right-handed twist. The 3D structures of the three types of isolated chain sheet models were optimized using density functional theory calculations to compare their stabilities without crystal packing forces. The cellulose Iβ (1 0 0) models were more stable than the cellulose IIII (1 ?1 0) models. The optimized structure of cellulose IIII (1 0 0) models deviated largely from the initial sheet form. It was proposed to the crystalline transformation from cellulose IIII to Iβ that conversion of the chain sheet structure first take place, followed by sliding of the chain sheet along the fiber axis. 相似文献
22.
Synthesis and Characterization of Aminoporphyrin‐End‐Functionalized Poly(N‐isopropylacrylamide) with Photodynamic and Thermoresponsive Effects
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Yang Yang Yanhui Li Nannan Qiu Guihua Cui Prof. Toshifumi Satoh Prof. Qian Duan 《化学:亚洲杂志》2014,9(5):1379-1387
The novel aminoporphyrin‐end‐functionalized poly(N‐isopropylacrylamide) (PNIPAM) polymer H2N‐TPP‐PNIPAM (TPP=5,10,15,20‐tetraphenyl‐21H,23H‐porphyrin) behaves as a multifunctional platform that displays a photodynamic effect, thermosensitivity, and fluorescence properties. The polymer was designed by using an asymmetrical aminoporphyrin (i.e., H2N‐TPP‐Cl) as the initiator for the atom‐transfer radical polymerization of N‐isopropylacrylamide (NIPAM). The polydispersity index (PDI) obtained by gel‐permeation chromatography indicated that the molecular‐weight distribution was narrow (1.09<PDI<1.27). The lower critical solution temperatures of H2N‐TPP‐PNIPAM showed a decreasing trend as the molecular weight was increased as a result of the incorporation of the porphyrin group at the end of the chain. The fluorescence spectra revealed the luminescent properties of the materials. The results of confocal laser scanning microscopy showed that the polymer could enter the cytoplasm through endocytosis. In addition, the multifunctional platform exhibited low toxicity against normal cells (L929) and cancer cells (Hela) and enhanced photodynamic activity towards HeLa cells, without significant necrocytosis towards L929 cells; as a result this material may be useful in the future for practical photodynamic therapy. 相似文献
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Cellulose - Cellulose I crystals swell on exposure to ethylenediamine (EDA) molecules to form a cellulose I–EDA complex, and successive extraction of EDA molecules converts the complex... 相似文献
25.
Tajima Kenji Imai Tomoya Yui Toshifumi Yao Min Saxena Inder 《Cellulose (London, England)》2022,29(5):2755-2777
Cellulose - Cellulose is produced by all plants and a number of other organisms, including bacteria. The most representative cellulose-producing bacterial species is Gluconacetobacter xylinus, an... 相似文献
26.
Hideyasu China Nami Kageyama Hotaka Yatabe Naoko Takenaga Toshifumi Dohi 《Molecules (Basel, Switzerland)》2021,26(7)
We report a convenient and practical method for the preparation of nonexplosive cyclic hypervalent iodine(III) oxidants as efficient organocatalysts and reagents for various reactions using Oxone® in aqueous solution under mild conditions at room temperature. The thus obtained 2-iodosobenzoic acids (IBAs) could be used as precursors of other cyclic organoiodine(III) derivatives by the solvolytic derivatization of the hydroxy group under mild conditions of 80 °C or lower temperature. These sequential procedures are highly reliable to selectively afford cyclic hypervalent iodine compounds in excellent yields without contamination by hazardous pentavalent iodine(III) compound. 相似文献
27.
Dual Catalysis with Copper and Rhenium for Trifluoromethylation of Propargylic Alcohols: Efficient Synthesis of α‐Trifluoromethylated Enones
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Dr. Hiromichi Egami Takafumi Ide Masashi Fujita Toshifumi Tojo Prof.Dr. Yoshitaka Hamashima Prof.Dr. Mikiko Sodeoka 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(38):12061-12065
Trifluoromethylation of propargylic alcohols to provide (Z)‐α‐trifluoromethylated enones and β‐unsubstituted α‐trifluoromethylated enones proceeded with high yield and selectivity in the presence of CuI/Re2O7. The Z isomer was formed under kinetic control, though it is less stable than the E isomer in terms of steric repulsion. 相似文献
28.
We report the generation of a nano-scale tubular structure of cellulose molecules (CelNT), through density functional theory (DFT) calculations. When a cellulose IIII (1 0 0) chain sheet model is optimized by DFT calculations, the sheet models spontaneously roll into tubes. The oligomers arrange in a right-handed, four-fold helix with one-quarter chain staggering, oriented with parallel polarity similar to the original crystal structure. Based on a one-quarter chain staggering relationship, six large CelNT models, consisting of 16 cellulose chains with DP = 80, are constructed by combinations of two types of chain polarities and three types of symmetry operations to generate a circular arrangement of molecular chains. All six CelNT models are examined by molecular dynamics (MD) calculations in chloroform. While four CelNT models retain a tubular form throughout MD calculations, the remaining two deform. 3D-RISM theory model is used to estimate the solvation free energies of the four CelNT models. The results suggest that the CelNT model with a chain arrangement of parallel polarity and right-handed helical symmetry forms the most stable tube structure. 相似文献
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30.
Taniguchi T Yamanaka K Sumioka H Yamazaki T Tabata Y Kawarazaki S 《Physical review letters》2004,93(24):246605
The extraordinary Hall resistivity rho(xy) and the magnetization M of a canonical spin glass AuFe (8 at.% Fe) were measured simultaneously as functions of temperature with the best care to the thermal and the magnetic field hysteresis. The data of rho(xy) show an anomaly at the spin glass transition temperature T(g) and have different zero field cooling (ZFC) and field cooling (FC) measurements below T(g). Moreover, the value of rho(xy)/M, which represents the chiral susceptibility of the system in the present case, also shows the difference between ZFC and FC measurements. The results are consistent with the predictions of the chirality scenario of canonical spin glasses by Kawamura. 相似文献