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121.
Miwatashi S Arikawa Y Naruo K Igaki K Watanabe Y Kimura H Kawamoto T Ohkawa S 《Chemical & pharmaceutical bulletin》2005,53(4):410-418
A novel series of 4-phenyl-5-pyridyl-1,3-thiazole analogues possessing potent in vitro inhibitory activity against p38 mitogen-activated protein kinase and the release of tumor necrosis factor-alpha (TNF-alpha) from human monocytic THP-1 cells stimulated by lipopolysaccharide has been identified. Subsequent structure-activity relationship (SAR) studies and optimization for absorption, distribution, metabolism, and elimination (ADME) profiles led to the identification of compounds 7 g and 10b as orally active lead candidates that block the in vivo production of proinflammatory cytokine (TNF-alpha). In pharmacokinetic studies, compound 10b showed good oral administration in mice and demonstrated significant in vivo anti-inflammatory activity in an anti-collagen monoclonal antibody-induced arthritis mouse model (minimum effective dose (MED)=30 mg/kg). Further elucidation of this class of compounds may provide novel anti-inflammatory agents, such as anti-rheumatoid arthritis drugs. 相似文献
122.
Iwata T Fukuzawa K Nakajima K Aida-Hyugaji S Mochizuki Y Watanabe H Tanaka S 《Computational Biology and Chemistry》2008,32(3):198-211
The hemagglutinin (HA) protein of the influenza virus binds to the host cell receptor in the early stage of viral infection. A change in binding specificity from avian 2-3 to human 2-6 receptor is essential for optimal human-to-human transmission and pandemics. Therefore, it is important to reveal the key factors governing the binding affinity of HA-receptor complex at the molecular level for the understanding and prediction of influenza pandemics. In this work, on the basis of ab initio fragment molecular orbital (FMO) method, we have carried out the interaction energy analysis of HA-receptor complexes to quantitatively elucidate the binding specificity of HAs to avian and human receptors. To discuss the binding property of influenza HA comprehensively, a number of HAs from human H1, swine H1, avian H3 and avian H5 viruses were analyzed. We performed detailed investigations about the interaction patterns of complexes of various HAs and receptor analogues, and revealed that intra-molecular interactions between conserved residues in HA play an important role for HA-receptor binding. These results may provide a hint to understand the role of conserved acidic residues at the receptor binding site which are destabilized by the electrostatic repulsion with sialic acid. The calculated binding energies and interaction patterns between receptor and HAs are consistent with the binding specificities of each HA and thus explain the receptor binding mechanism. The calculated results in the present analysis have provided a number of viewpoints regarding the models for the HA-receptor binding specificity associated with mutated residues. Examples include the role of Glu190 and Gln226 for the binding specificity of H5 HA. Since H5 HA has not yet been adapted to human receptor and the mechanism of the specificity change is unknown, this result is helpful for the prediction of the change in receptor specificity associated with forthcoming possible pandemics. 相似文献
123.
Furutachi H Hashimoto K Nagatomo S Endo T Fujinami S Watanabe Y Kitagawa T Suzuki M 《Journal of the American Chemical Society》2005,127(13):4550-4551
A mononuclear iron(III) complex containing a peroxocarbonate ligand, [Fe(qn)2(O2C(O)O)]- (qn = quinaldinate), underwent the reversible O-O bond cleavage and reformation of the peroxo group via the formation of FeIV=O or FeV=O species, which was confirmed by the resonance Raman and ESI-TOF/MS measurements. 相似文献
124.
Mengmeng Zhao Shigenori Kuga Shidong Jiang Min Wu Yong Huang 《Cellulose (London, England)》2016,23(5):2809-2818
The nanoscale structural changes of crystalline cellulose by mechanical milling was studied by high-resolution microscopy (AFM, SEM, TEM). We examined influence of environment [dry, water, silicone oil (PDMS)] on cellulose milling, finding their characteristic effects on microscopic morphology of the products. Dry milling of cellulose gave aggregated globular particles with fast decrystallization. Milling with water or PDMS caused partial dispersion of nanofibers. Milling with PDMS formed micro-platelets <1 µm thick with slight decrystallization. Remarkably, nanoscale particles isolated from PDMS-milled cellulose by sonication in ethanol contained cellulose nanosheets, typically 0.1–10 µm wide and 4.2 nm thick, apparently formed by monolayer association of elementary fibrils. TEM and electron diffraction revealed crystalline nature of nanosheets, with specific orientation of (110) plane or (200) plane perpendicular to the sheet plane. A possible mechanism of the nanosheets formation is proposed, in which the elementary fibrils are aligned parallel by mechanical impacts. 相似文献
125.
A new molecule-based magnetic material [Mn2(Saloph)2(μ-OH)][Ni(bdt)2](CH3CN)2 was prepared by the metathesis of [Mn(Saloph)(H2O)(ClO4)] (S = 2) and TBA[Ni(bdt)2] (S = 1/2). In the crystal, [Ni(bdt)2]? anions form square lattices which are separated from each other by the layers of antiferromagnetically coupled binuclear cations [Mn2(Saloph)2(μ-OH)]+. The magnetic susceptibility of the material coincides with the sum of the S = 2 van Vleck dimer model and S = 1/2 Heisenberg ferromagnetic square lattice model with 2J = ?92.4 and +4.5 K, respectively. The origin of the ferromagnetic interaction can be explained by the T-shaped intermolecular overlap mode of SOMOs which spreads to the ends of [Ni(bdt)2]? molecules. 相似文献
126.
Toshio Nakayama Shigenori Tanaka Shin-Ya Aoki 《Molecular Crystals and Liquid Crystals》2013,570(1-2):267-271
Abstract Strained lattice organic thin film which possessed distinct lattice structure from the bulk crystal was formed by molecular beam epitaxy (MBE). In situ infrared (IR) spectroscopic characterization was carried out to clarify the as-grown film structure under several growth conditions. The growth condition for parallel orientation of the flat molecules was discussed under the interrelation between the molecule-substrate interactions and the intermolecular interactions. 相似文献
127.
Dae-Young Kim Yoshiharu Nishiyama Masahisa Wada Shigenori Kuga 《Cellulose (London, England)》2001,8(1):29-33
The carbonization of cellulose with sulfuric acid impregnation was studied by thermogravimetric analysis and scanning electron microscopy. The mass yield of carbon after 800°C treatment in nitrogen increased to 2–3 times by addition of small amounts of sulfuric acid. The sulfuric acid is considered to work as dehydration catalyst, thus suppressing the release of volatile organic substances. The shrinkage of the sample during carbonization was also significantly reduced by the addition of sulfuric acid. 相似文献
128.
Yasuyuki Nagatomo 《Transactions of the American Mathematical Society》2001,353(11):4333-4355
We determine all irreducible homogeneous bundles with anti-self-dual canonical connections on compact quaternion symmetric spaces. To deform the canonical connections, we give a relation between the representation theory and the theory of monads on the twistor space. The moduli spaces are described via the Bott-Borel-Weil Thereom. The Horrocks bundle is also generalized to higher-dimensional projective spaces.
129.
S Itoh H Kumei S Nagatomo T Kitagawa S Fukuzumi 《Journal of the American Chemical Society》2001,123(10):2165-2175
Phenolate and phenoxyl radical complexes of a series of alkaline earth metal ions as well as monovalent cations such as Na+ and K+ have been prepared by using 2,4-di-tert-butyl-6-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-ylmethyl)phenol (L1H) and 2,4-di-tert-butyl-6-(1,4,7,10,13-pentaoxa-16-aza-cyclooctadec-16-ylmethyl)phenol (L2H) to examine the effects of the cations on the structure, physicochemical properties and redox reactivity of the phenolate and phenoxyl radical complexes. Crystal structures of the Mg2+- and Ca2+-complexes of L1- as well as the Ca2+- and Sr2+-complexes of L2- were determined by X-ray crystallographic analysis, showing that the crown ether rings in the Ca2+-complexes are significantly distorted from planarity, whereas those in the Mg2+- and Sr2+-complexes are fairly flat. The spectral features (UV-vis) as well as the redox potentials of the phenolate complexes are also influenced by the metal ions, depending on the Lewis acidity of the metal ions. The phenoxyl radical complexes are successfully generated in situ by the oxidation of the phenolate complexes with (NH4)(2)[Ce4+(NO3)6] (CAN). They exhibited strong absorption bands around 400 nm together with a broad one around 600-900 nm, the latter of which is also affected by the metal ions. The phenoxyl radical-metal complexes are characterized by resonance Raman, ESI-MS, and ESR spectra, and the metal ion effects on those spectroscopic features are also discussed. Stability and reactivity of the phenoxyl radical-metal complexes are significantly different, depending on the type of metal ions. The disproportionation of the phenoxyl radicals is significantly retarded by the electronic repulsion between the metal cation and a generated organic cation (Ln+), leading to stabilization of the radicals. On the other hand, divalent cations decelerate the rate of hydrogen atom abstraction from 10-methyl-9,10-dihydroacridine (AcrH2) and its 9-substituted derivatives (AcrHR) by the phenoxyl radicals. On the basis of primary kinetic deuterium isotope effects and energetic consideration of the electron-transfer step from AcrH2 to the phenoxyl radical-metal complexes, we propose that the hydrogen atom abstraction by the phenoxyl radical-alkaline earth metal complexes proceeds via electron transfer followed by proton transfer. 相似文献
130.
Ogura M. Minamisono K. Sumikama T. Nagatomo T. Iwakoshi T. Miyake T. Hashimoto K. Kudo S. Arimura K. Ota M. Akutsu K. Sato K. Mihara M. Fukuda M. Matsuta K. Akai H. Minamisono T. 《Hyperfine Interactions》2001,136(3-8):195-199
It was confirmed by detecting the β-NMR of 12B (I
π=1+, T
1/2=20.2 ms) in a TiO2 (rutile) crystal that the nuclear spin polarization of 12B was totally maintained in the crystal as produced through a nuclear reaction before implantation. Two locations, site 1
and site 2, were found with the relative populations 9 and 1, respectively, and the electric field gradients (EFGs) at those
sites were obtained to be q(site 1)=+(37.1±0.5)1015 V/cm2, η(site 1)<0.03, q(site 2)=+(185±5)1015 V/cm2 and η(site 2)=0.62±0.02. We also found that about 30% of the initial polarization of 8Li (I
π=2+, T
1/2=838 ms) was maintained in the crystal. Since the polarizations of other β emitting nuclei, 12,16N, 13,19O, and 41Sc were also totally maintained in the crystal, the crystal can be a “Spin Dewar” in which many short-lived nuclides can be
implanted with their polarizations totally maintained during their lifetimes for the studies not only on the electronic structure
of impurities in it but also on the nuclear properties.
This revised version was published online in September 2006 with corrections to the Cover Date. 相似文献