Ab initio molecular orbital study of the geometries of biologically important ions in water clusters

Thesis (Ph. D. in Science)--University of Tsukuba, (B), no. 1611, 2000.3.24Includes bibliographical referencesTitlepage,Contents -- General Introduction -- Chapter 1. The Structures of RCOO- and CH_3O- by Resonance Theory -- Chapter 2. The Structures of RCOO- in Water Clusters -- Chapter 3. The Structures of CH_3O- and CH_3S- in Water Clusters -- Chapter 4. The Structures of CH_3NH_3+ and CH_3PH_3+ in Water Clusters -- Chapter 5. The Structures of CH_3OH_2+ and CH_3SH_2+ in Water Clusters -- Summary -- Acknowledgement

タマネギ催涙因子合成酵素に関する分子生物学および生化学研究

筑波大学（University of Tsukuba）201

Phase field model of premelting of grain boundaries

We present a phase field model of solidification which includes the effects of the crystalline orientation in the solid phase. This model describes grain boundaries as well as solid-liquid boundaries within a unified framework. With an appropriate choice of coupling of the phase field variable to the gradient of the crystalline orientation variable in the free energy, we find that high angle boundaries undergo a premelting transition. As the melting temperature is approached from below, low angle grain boundaries remain narrow. The width of the liquid layer at high angle grain boundaries diverges logarithmically. In addition, for some choices of model coupling, there may be a discontinuous jump in the width of the fluid layer as function of temperature.Comment: 6 pages, 9 figures, RevTeX

A single consumption of curry improved postprandial endothelial function in healthy male subjects: a randomized, controlled crossover trial

BACKGROUND: Curry, one of the most popular foods in Japan, contains spices that are rich in potentially antioxidative compounds, such as curcumin and eugenol. Oxidative stress is thought to impair endothelial function associated with atherosclerosis, a leading cause of cardiovascular events. The aim of this study was to determine whether a single consumption of curry meal would improve endothelial function in healthy men. METHODS: Fourteen healthy male subjects (BMI 23.7 ± 2.7 kg/m(2); age 45 ± 9 years) were given a single serving of curry meal or spice-free control meal (180 g of curry or control and 200 g of cooked rice; approximately 500 kcal in total) in a randomized, controlled crossover design. Before and 1 hr after the consumption, fasting and postprandial flow-mediated vasodilation (FMD) responses and other parameters were measured. RESULTS: The consumption of the control meal decreased FMD from 5.8 ± 2.4% to 5.1 ± 2.3% (P = 0.039). On the other hand, the consumption of the curry meal increased FMD from 5.2 ± 2.5% to 6.6 ± 2.0% (P = 0.001), and the postprandial FMD after the curry meal was higher than that after the control meal (P = 0.002). Presence of spices in the curry did not alter significantly the systemic and forearm hemodynamics, or any biochemical parameters including oxidative stress markers measured. CONCLUSIONS: These findings suggest that the consumption of curry ameliorates postprandial endothelial function in healthy male subjects and may be beneficial for improving cardiovascular health. TRIAL REGISTRATION: UMIN Clinical Trials Registry 000012012

Identification of chemokine receptors as potential modulators of endocrine resistance in oestrogen receptor–positive breast cancers

Introduction Endocrine therapies target oestrogenic stimulation of breast cancer (BC) growth, but resistance remains problematic. Our aims in this study were (1) to identify genes most strongly associated with resistance to endocrine therapy by intersecting global gene transcription data from patients treated presurgically with the aromatase inhibitor anastrazole with those from MCF7 cells adapted to long-term oestrogen deprivation (LTED) (2) to assess the clinical value of selected genes in public clinical data sets and (3) to determine the impact of targeting these genes with novel agents. Methods Gene expression and Ki67 data were available from 69 postmenopausal women with oestrogen receptor–positive (ER+) early BC, at baseline and 2 weeks after anastrazole treatment, and from cell lines adapted to LTED. The functional consequences of target genes on proliferation, ER-mediated transcription and downstream cell signalling were assessed. Results By intersecting genes predictive of a poor change in Ki67 with those upregulated in LTED cells, we identified 32 genes strongly correlated with poor antiproliferative response that were associated with inflammation and/or immunity. In a panel of LTED cell lines, C-X-C chemokine receptor type 7 (CXCR7) and CXCR4 were upregulated compared to their wild types (wt), and CXCR7, but not CXCR4, was associated with reduced relapse-free survival in patients with ER+ BC. The CXCR4 small interfering RNA variant (siCXCR4) had no specific effect on the proliferation of wt-SUM44, wt-MCF7 and their LTED derivatives. In contrast, siCXCR7, as well as CCX733, a CXCR7 antagonist, specifically suppressed the proliferation of MCF7-LTED cells. siCXCR7 suppressed proteins associated with G1/S transition and inhibited ER transactivation in MCF7-LTED, but not wt-MCF7, by impeding association between ER and proline-, glutamic acid– and leucine-rich protein 1, an ER coactivator. Conclusions These data highlight CXCR7 as a potential therapeutic target warranting clinical investigation in endocrine-resistant BC

A Methodology for Near-Field Tsunami Inundation Forecasting: Application to the 2011 Tohoku Tsunami

Existing tsunami early warning systems in the world can give either one or a combination of estimated tsunami arrival times, heights, or qualitative tsunami forecasts before the tsunami hits near-field coastlines. A future tsunami early warning system should be able to provide a reliable near-field tsunami inundation forecast on high-resolution topography within a short time period. Here we describe a new methodology for near-field tsunami inundation forecasting. In this method, a precomputed tsunami inundation and precomputed tsunami waveform database is required. After information about a tsunami source is estimated, tsunami waveforms at nearshore points can be simulated in real time. A scenario that gives the most similar tsunami waveforms is selected as the site-specific best scenario and the tsunami inundation from that scenario is selected as the tsunami inundation forecast. To test the algorithm, tsunami inundation along the Sanriku Coast is forecasted by using source models for the 2011 Tohoku earthquake estimated from GPS, W phase, or offshore tsunami waveform data. The forecasting algorithm is capable of providing a tsunami inundation forecast that is similar to that obtained by numerical forward modeling but with remarkably smaller CPU time. The time required to forecast tsunami inundation in coastal sites from the Sendai Plain to Miyako City is approximately 3 min after information about the tsunami source is obtained. We found that the tsunami inundation forecasts from the 5 min GPS, 5 min W phase, 10 min W phase fault models, and 35 min tsunami source model are all reliable for tsunami early warning purposes and quantitatively match the observations well, although the latter model gives tsunami forecasts with highest overall accuracy. The required times to obtain tsunami forecast from the above four models are 8 min, 9 min, 14 min, and 39 min after the earthquake, respectively, or in other words 3 min after receiving the source model. This method can be useful in developing future tsunami forecasting systems with a capability of providing tsunami inundation forecasts for locations near the tsunami source area

Humid-Air and Aqueous Corrosion Models for Corrosion-allowance Barrier Material

Humid-air and aqueous general and pitting corrosion models (including their uncertainties) for the carbon steel outer containment barrier were developed using the corrosion data from literature for a suite of cast irons and carbon steels which have similar corrosion behaviors to the outer barrier material. The corrosion data include the potential effects of various chemical species present in the testing environments. The atmospheric corrosion data also embed any effects of cyclic wetting and drying and salts that may form on the corroding specimen surface. The humid-air and aqueous general corrosion models are consistent in that the predicted humid-air general corrosion rates at relative humidities between 85 and 100% RH are close to the predicted aqueous general corrosion rates. Using the expected values of the model parameters, the model predicts that aqueous pitting corrosion is the most likely failure mode for the carbon steel outer barrier, and an earliest failure (or initial pit penetration) of the 100-mm thick barrier may occur as early as about 500 years if it is exposed continuously to an aqueous condition at between 60 and 70{degrees}C

Chromosomal Organization and Sequence Diversity of Genes Encoding Lachrymatory Factor Synthase in Allium cepa L.

Lachrymatory factor synthase (LFS) catalyzes the formation of lachrymatory factor, one of the most distinctive traits of bulb onion (Allium cepa L.). Therefore, we used LFS as a model for a functional gene in a huge genome, and we examined the chromosomal organization of LFS in A. cepa by multiple approaches. The first-level analysis completed the chromosomal assignment of LFS gene to chromosome 5 of A. cepa via the use of a complete set of A. fistulosum–shallot (A. cepa L. Aggregatum group) monosomic addition lines. Subsequent use of an F2 mapping population from the interspecific cross A. cepa × A. roylei confirmed the assignment of an LFS locus to this chromosome. Sequence comparison of two BAC clones bearing LFS genes, LFS amplicons from diverse germplasm, and expressed sequences from a doubled haploid line revealed variation consistent with duplicated LFS genes. Furthermore, the BAC-FISH study using the two BAC clones as a probe showed that LFS genes are localized in the proximal region of the long arm of the chromosome. These results suggested that LFS in A. cepa is transcribed from at least two loci and that they are localized on chromosome 5