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Journal Articles

Pressure responses of portlandite and H-D isotope effects on pressure-induced phase transitions

Iizuka, Riko*; Kagi, Hiroyuki*; Komatsu, Kazuki*; Ushijima, Daichi*; Nakano, Satoshi*; Sano, Asami; Nagai, Takaya*; Yagi, Takehiko*

Physics and Chemistry of Minerals, 38(10), p.777 - 785, 2011/12

 Times Cited Count:10 Percentile:33.32(Materials Science, Multidisciplinary)

The pressure responses of portlandite and the isotope effect on the phase transition were investigated at room temperature from single-crystal Raman and IR spectra and from powder X-ray diffraction using diamond anvil cells under quasi-hydrostatic conditions in a helium pressure-transmitting medium. Phase transformation and subsequent peak broadening observed from the Raman and IR spectra of Ca(OH)$$_{2}$$ occurred at lower pressures than those of Ca(OD)$$_{2}$$. In contrast, no isotope effect was found on the volume and axial compressions observed from powder X-ray diffraction patterns. X-ray diffraction lines attributable to the high-pressure phase remained up to 28.5 GPa, suggesting no total amorphization in a helium pressure medium within the examined pressure region. These results suggest that the H-D isotope effect is engendered in the local environment surrounding H(D) atoms.

Journal Articles

A Neutron crystallographic analysis of phosphate-free ribonuclease A at 1.7 ${AA}$ resolution

Yagi, Daichi*; Yamada, Taro*; Kurihara, Kazuo; Onishi, Yuki*; Yamashita, Masahiro*; Tamada, Taro; Tanaka, Ichiro*; Kuroki, Ryota; Niimura, Nobuo*

Acta Crystallographica Section D, 65(9), p.892 - 899, 2009/09

 Times Cited Count:17 Percentile:80.39(Biochemical Research Methods)

A neutron crystallographic analysis of phosphate-free bovine pancreatic RNase A has been carried out at 1.7 ${AA}$ resolution using the BIX-4 single-crystal diffractometer at the JRR-3 reactor of the Japan Atomic Energy Agency. The high resolution structural model allowed us to determine that His12 acts mainly as a general base in the catalytic process of RNase A. Numerous other distinctive structural features such as the hydrogen positions of methyl groups, hydroxyl groups, prolines, asparagines and glutamines were also determined at 1.7 ${AA}$ resolution. The protonation and deprotonation states of all of the charged amino-acid residues allowed us to provide a definitive description of the hydrogen-bonding network around the active site and the H atoms of the key His48 residue. Differences in hydrogen-bond strengths for the $$alpha$$-helices and $$beta$$-sheets were inferred from determination of the hydrogen-bond lengths and the H/D-exchange ratios of the backbone amide H atoms. The correlation between the B factors and hydrogen-bond lengths of the hydration water molecules was also determined.

Oral presentation

Crystallization of $$beta$$-lactoglobulin, $$alpha$$-amylase, 2Zn-insulin, cubic-insulin and RNase a for neutron diffraction experiment

Yagi, Daichi*; Ebata, Toshinobu*; Ichige, Toshikatsu*; Kobayashi, Yoichiro*; Ishikawa, Takuya*; Yamashita, Masahiro*; Onishi, Yuki*; Tanaka, Ichiro*; Kurihara, Kazuo; Niimura, Nobuo*

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