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141.
In the present article we demonstrate that the conclusion on the case of equality for the estimate of Schwarz–Pick type is a property of a distance-nonincreasing holomorphic mapping which is locally defined. Also, while considering existence of branch points, we deal with the topics in terms of the pseudo-hyperbolic distance. 相似文献
142.
This study describes the framework of the quantum mechanical (QM)/Monte Carlo (MC)/free‐energy perturbation (FEP) method, a FEP method based on MC simulations using quantum chemical calculations. Because a series of structures generated by interpolating internal coordinates between transition state and reactant did not produce smooth free‐energy profiles, we used structures from the intrinsic reaction coordinate calculations. This method was first applied to the Diels–Alder reaction between methyl vinyl ketone and cyclopentadiene and produced ΔG values of 20.1 and 21.4 kcal mol?1 in aqueous and methanol solutions, respectively. They are very consistent with the experimentally observed values. The other two applications were the free‐energy surfaces for the Cope elimination of N,N‐dimethyl‐3‐phenylbutan‐2‐amine oxide in aqueous, dimethyl sulfoxide, and tetrahydrofuran solutions, and the Kemp decarboxylation of 6‐hydroxybenzo‐isoxazole‐3‐carboxylic acid in aqueous, dimethyl sulfoxide, and CH3CN solutions. The calculated activation free energies differed by less than 1.8 kcal mol?1 from the experimental values for these reactions. Although we used droplet models for the QM/MC/FEP simulations, the calculated results for three reactions are very close to the experimental data. It was confirmed that most of the interactions between the solute and solvents can be described using small numbers of solvent molecules. This is because a few solvent molecules can produce large portions of the solute–solvent interaction energies at the reaction centers. When we confirmed the dependency on the droplet sizes of solvents, the QM/MC/FEP for a large droplet with 106 water molecules produced a ΔG value similar to the experimental values, as well as that for a small droplet with 34 molecules. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011 相似文献
143.
Watanabe M Yamamoto T Yamamoto A Obana E Niiyama K Hada T Ooie T Kataoka M Hori T Houchi H Shinohara Y 《Applied biochemistry and biotechnology》2011,165(2):538-547
The thermogenic function of brown adipose tissue (BAT) is known to be markedly elevated when animals are exposed to the cold, and intensive studies have been carried out to understand the molecular basis enabling effective thermogenesis in cold-exposed animals. In this study, we used microarray analysis to examine the effects of cold exposure of animals on their gene expression profiles in white adipose tissue (WAT), which seems to function as a counterpart tissue of BAT. The results indicate that the effects of cold exposure on the gene expression profiles of WAT were much more moderate than the effects on those of BAT. Possible reasons for the different responses of BAT and WAT to cold exposure are discussed. 相似文献
144.
Matsumoto J Sugiura Y Yuki D Hayasaka T Goto-Inoue N Zaima N Kunii Y Wada A Yang Q Nishiura K Akatsu H Hori A Hashizume Y Yamamoto T Ikemoto K Setou M Niwa S 《Analytical and bioanalytical chemistry》2011,400(7):1933-1943
Schizophrenia is one of the major psychiatric disorders, and lipids have focused on the important roles in this disorder. In fact, lipids related to various functions in the brain. Previous studies have indicated that phospholipids, particularly ones containing polyunsaturated fatty acyl residues, are deficient in postmortem brains from patients with schizophrenia. However, due to the difficulties in handling human postmortem brains, particularly the large size and complex structures of the human brain, there is little agreement regarding the qualitative and quantitative abnormalities of phospholipids in brains from patients with schizophrenia, particularly if corresponding brain regions are not used. In this study, to overcome these problems, we employed matrix-assisted laser desorption/ionization imaging mass spectrometry (IMS), enabling direct microregion analysis of phospholipids in the postmortem brain of a patient with schizophrenia via brain sections prepared on glass slides. With integration of traditional histochemical examination, we could analyze regions of interest in the brain at the micrometric level. We found abnormal phospholipid distributions within internal brain structures, namely, the frontal cortex and occipital cortex. IMS revealed abnormal distributions of phosphatidylcholine molecular species particularly in the cortical layer of frontal cortex region. In addition, the combined use of liquid chromatography/electrospray ionization tandem mass spectrometry strengthened the capability for identification of numerous lipid molecular species. Our results are expected to further elucidate various metabolic processes in the neural system. 相似文献
145.
Tachi T Hase T Okamoto Y Kaji N Arima T Matsumoto H Kondo M Tokeshi M Hasegawa Y Baba Y 《Analytical and bioanalytical chemistry》2011,401(7):2301-2305
Microchip analysis is a promising method for therapeutic drug monitoring. This led us to evaluate a microchip-based fluorescence
polarization immunoassay (FPIA) system for point-of-care testing on patients being treated with theophylline. The sera were
collected from 20 patients being treated with theophylline. Fluorescence polarization was measured on the microchip and theophylline
concentrations in serum were obtained. Regression analysis of the correlations was done between the results given by the microchip-based
FPIA and the conventional cloned enzyme donor immunoassay (CEDIA), and between the results given by the microchip-based FPIA
and the conventional particle-enhanced turbidimetric inhibition immunoassay (PETINIA). We successfully carried out a quantitative
analysis of theophylline in serum at values near its therapeutic range in 65 s. The results obtained by the microchip-based
FPIA correlated well with CEDIA and PETINIA results; the correlation coefficients (R
2) were 0.986 and 0.989, respectively. The FPIA system is a simple and rapid method for point-of-care testing of drugs in serum,
and its accuracy is the same as the conventional CEDIA and PETINIA. It is essential to use real samples from patients and
to confirm good correlations with conventional methods for a study on the realization of microchip. 相似文献
146.
Manabu Naito 《Journal of Mathematical Analysis and Applications》2011,381(1):315-327
In this paper second order quasilinear ordinary differential equations are considered, and a necessary and sufficient condition for the existence of a slowly growing positive solution is established. Moreover, the precise asymptotic forms as t→∞ of slowly growing positive solutions and slowly decaying positive solutions are obtained. 相似文献
147.
Tanaka M Fukasawa K Nishino E Yamaguchi S Yamada K Tanaka H Bae B Miyatake K Watanabe M 《Journal of the American Chemical Society》2011,133(27):10646-10654
Anion conductive aromatic multiblock copolymers, poly(arylene ether)s containing quaternized ammonio-substituted fluorene groups, were synthesized via block copolycondensation of fluorene-containing (later hydrophilic) oligomers and linear hydrophobic oligomers, chloromethylation, quaternization, and ion-exchange reactions. The ammonio groups were selectively introduced onto the fluorene-containing units. The quaternized multiblock copolymers (QPEs) produced ductile, transparent membranes. A well-controlled multiblock structure was responsible for the developed hydrophobic/hydrophilic phase separation and interconnected ion transporting pathway, as confirmed by scanning transmission electron microscopic (STEM) observation. The ionomer membranes showed considerably higher hydroxide ion conductivities, up to 144 mS/cm at 80 °C, than those of existing anion conductive ionomer membranes. The durabilities of the QPE membranes were evaluated under severe, accelerated-aging conditions, and minor degradation was recognized by (1)H NMR spectra. The QPE membrane retained high conductivity in hot water at 80 °C for 5000 h. A noble metal-free direct hydrazine fuel cell was operated with the QPE membrane at 80 °C. The maximum power density, 297 mW/cm(2), was achieved at a current density of 826 mA/cm(2). 相似文献
148.
Akiko Hori Yuta Inoue Hidetaka Yuge 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):o154-o156
4‐Chloro‐5‐(2‐phenoxyethoxy)phthalonitrile, C16H11ClN2O2, (I), and 4‐chloro‐5‐[2‐(pentafluorophenoxy)ethoxy]phthalonitrile, C16H6ClF5N2O2, (II), show different types of electrostatic interaction. In (I), the phenoxy and phthalonitrile (benzene‐1,2‐dicarbonitrile) moieties are well separated in an open conformation and intermolecular C—H...π interactions are observed in the crystal packing. On the other hand, in (II), the pentafluorophenoxy moiety interacts closely with the Cl atom to form a folded conformation containing an intramolecular halogen–π interaction. 相似文献
149.
Five types of non-symmetric calamitic dimers were synthesized to investigate the effect of the core structure and length of the spacer on mesomorphic properties. Two non-symmetric dimers containing a troponoid and benzenoid unit showed smectic A and C phases whereas the corresponding benzenoid dimers showed no mesophase. Non-symmetric dimers with a three-ring system showed smectic A and C phases with higher transition temperatures than the two-ring system. We propose packing models for these non-symmetric dimers by considering the direction of the dipole moments of the ring structures and microsegregation between the polar units and the non-polar chains. 相似文献