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Journal Articles

Molecular geochemistry of radium; A key to understanding cation adsorption reaction on clay minerals

Yamaguchi, Akiko; Kurihara, Yuichi*; Nagata, Kojiro*; Tanaka, Kazuya; Higaki, Shogo*; Kobayashi, Toru; Tanida, Hajime; Ohara, Yoshiyuki*; Yokoyama, Keiichi; Yaita, Tsuyoshi; et al.

Journal of Colloid and Interface Science, 661, p.317 - 332, 2024/05

 Times Cited Count:0

no abstracts in English

Journal Articles

The First observation of hydrated radium at the molecular level

Yamaguchi, Akiko; Okumura, Masahiko; Takahashi, Yoshio*

Isotope News, (789), p.20 - 23, 2023/10

Radium is a radioactive element produced from uranium and thorium and is important for environmental contamination issues around uranium mines and for geological disposal. In addition, radium is used in radiometric dating and cancer therapy, making it important not only in environmental chemistry but also in many other fields, including geochemistry and nuclear medicine. However, because radium is a radioactive element with no stable isotopes, spectroscopic measurement of radium is difficult, and little information at the molecular level has been obtained so far. In this study, we have clarified the molecular-level information of hydrated radium for the first time in the world by combining extended X-ray absorption fine structure (EXAFS) measurements and first-principles molecular dynamics simulations.

Journal Articles

Mineralogical factors causing underestimation of $$K$$$$_{rm d}$$ values calculated from radiocesium interception potential

Uno, Koichiro*; Nakao, Atsushi*; Okumura, Masahiko; Yamaguchi, Akiko; Kogure, Toshihiro*; Yanai, Junta*

Nihon Dojo Hiryo Gaku Zasshi, 94(5), p.376 - 384, 2023/10

Radiocesium interception potential (RIP) has been widely used as a quantitative indicator of cesium (Cs) adsorption capacity of soil, but it has been found that RIP does not always correlate with the distribution coefficient ($$K$$$$_{rm d}$$) of Cs in the actual environment. In order to clarify the cause of this discrepancy, we measured Kd using more realistic solutions, compared it with RIP, and evaluated the mineral structure. As a result, it was found that the concentration of competing cations, such as potassium and ammonium ions, and the structural change of the mineral itself are important.

Journal Articles

Investigation of the environmental behavior of radium based on information at the molecular level

Yamaguchi, Akiko

Hosha Kagaku, (47), p.41 - 42, 2023/03

Radium (Ra) is essential for various fields, such as environmental chemistry and nuclear medicine. However, even the hydration structure of Ra remains unclear due to the difficulty in the Ra treatment, caused by the fact that Ra has no stable isotopes and forms radon, noble gas. This study measured the extended X-ray absorption fine structure (EXAFS) of Ra to investigate its hydration structure and adsorption structures on clay minerals. The EXAFS results were consistent with our environmental analysis of core samples in a uranium mine.

Journal Articles

High-sensitive XANES analysis at Ce L$$_{2}$$-edge for Ce in bauxites using transition-edge sensors; Implications for Ti-rich geological samples

Li, W.*; Yamada, Shinya*; Hashimoto, Tadashi; Okumura, Takuma*; Hayakawa, Ryota*; Nitta, Kiyofumi*; Sekizawa, Oki*; Suga, Hiroki*; Uruga, Tomoya*; Ichinohe, Yuto*; et al.

Analytica Chimica Acta, 1240, p.340755_1 - 340755_9, 2023/02

 Times Cited Count:2 Percentile:31.9(Chemistry, Analytical)

no abstracts in English

Journal Articles

Machine learning potentials of kaolinite based on the potential energy surfaces of GGA and meta-GGA density functional theory

Kobayashi, Keita; Yamaguchi, Akiko; Okumura, Masahiko

Applied Clay Science, 228, p.106596_1 - 106596_11, 2022/10

 Times Cited Count:6 Percentile:77.65(Chemistry, Physical)

no abstracts in English

Journal Articles

Extended X-ray absorption fine structure spectroscopy measurements and ${it ab initio}$ molecular dynamics simulations reveal the hydration structure of the radium(II) ion

Yamaguchi, Akiko; Nagata, Kojiro*; Kobayashi, Keita; Tanaka, Kazuya; Kobayashi, Toru; Tanida, Hajime; Shimojo, Kojiro; Sekiguchi, Tetsuhiro; Kaneta, Yui; Matsuda, Shohei; et al.

iScience (Internet), 25(8), p.104763_1 - 104763_12, 2022/08

 Times Cited Count:9 Percentile:68.46(Multidisciplinary Sciences)

no abstracts in English

Journal Articles

Investigation of hydration and adsorption structures on clay minerals of radium by EXAFS

Yamaguchi, Akiko; Nagata, Kojiro*; Tanaka, Kazuya; Kobayashi, Keita; Kobayashi, Toru; Shimojo, Kojiro; Tanida, Hajime; Sekiguchi, Tetsuhiro; Kaneta, Yui; Matsuda, Shohei; et al.

Hosha Kagaku, (45), p.28 - 30, 2022/03

no abstracts in English

Journal Articles

Hydration structures of barium ions; ${it Ab initio}$ molecular dynamics simulations using the SCAN meta-GGA density functional and EXAFS spectroscopy studies

Yamaguchi, Akiko; Kobayashi, Keita; Takahashi, Yoshio*; Machida, Masahiko; Okumura, Masahiko

Chemical Physics Letters, 780, p.138945_1 - 138945_5, 2021/10

 Times Cited Count:5 Percentile:44.89(Chemistry, Physical)

no abstracts in English

Journal Articles

Highly-sensitive analysis of fluorescence XANES at Europium (Eu) L$$_{rm III}$$-edge for the determination of oxidation state for trace amount of Eu in natural samples by bragg-type crystal analyzer system

Konagaya, Rimi*; Kawamura, Naomi*; Yamaguchi, Akiko; Takahashi, Yoshio*

Chemistry Letters, 50(8), p.1570 - 1572, 2021/08

 Times Cited Count:3 Percentile:22.95(Chemistry, Multidisciplinary)

no abstracts in English

Journal Articles

Machine learning potentials for tobermorite minerals

Kobayashi, Keita; Nakamura, Hiroki; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Okumura, Masahiko

Computational Materials Science, 188, p.110173_1 - 110173_14, 2021/02

 Times Cited Count:14 Percentile:73.11(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Quantitative evaluation of effects of isomorphic substitutions on delamination energies of clay minerals

Yamaguchi, Akiko; Asano, Ikumi*; Kitagawa, Yuri*; Meng, C.*; Nakao, Atsushi*; Okumura, Masahiko

Proceedings of Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo 2020 (SNA + MC 2020), p.127 - 130, 2020/10

no abstracts in English

Journal Articles

Local structure of rare earth elements (REE) in marine ferromanganese oxides by extended X-ray absorption fine structure and its comparison with REE in ion-adsorption type deposits

Nagasawa, Makoto*; Qin, H.-B.*; Yamaguchi, Akiko; Takahashi, Yoshio*

Chemistry Letters, 49(8), p.909 - 911, 2020/08

 Times Cited Count:3 Percentile:10.1(Chemistry, Multidisciplinary)

Journal Articles

Discovery of ion-adsorption type deposits of rare earth elements (REE) in Southwest Japan with speciation of REE by extended X-ray absorption fine structure spectroscopy

Yamaguchi, Akiko*; Honda, Tasuku*; Tanaka, Masato*; Tanaka, Kazuya; Takahashi, Yoshio*

Geochemical Journal, 52(5), p.415 - 425, 2018/00

 Times Cited Count:18 Percentile:61.41(Geochemistry & Geophysics)

Ion-adsorption type REE deposits in weathered granite are main sources of REE essential for high-technology industries. However, these type deposits have not been searched in Japan. In this study, Bulk REE abundances (= REE$$_{TOT}$$), ion-exchangeable REE (= REE$$_{EX}$$) by ammonium chloride solution, and percentage of REE$$_{EX}$$ relative to REE$$_{TOT}$$ (= REE$$_{PER}$$) in fresh and weathered granite samples in Southwest Japan (i.e., Hiroshima and Shimane Prefectures) were determined. The REE$$_{TOT}$$ and REE$$_{PER}$$ were comparable to those of ion-adsorption type REE deposits in China. Extended X-ray adsorption fine structure (EXAFS) spectra of REE in original samples and samples after the extraction of ion-exchangeable REE showed that (i) REE in samples with high REE$$_{PER}$$ mainly forms outer-sphere complexes and (ii) the remaining REE in the rocks after the extraction forms inter-sphere complexes.

Oral presentation

Fixation of radium by weathered granite from the view point of dependence of ionic size on adsorption reaction

Yamaguchi, Akiko*; Kurihara, Yuichi*; Tanaka, Kazuya; Ohara, Yoshiyuki; Kozai, Naofumi; Takahashi, Yoshio*

no journal, , 

Oral presentation

Fixation of radium in weathered granite

Kuribara, Yuichi; Yamaguchi, Akiko*; Higaki, Shogo*; Ohara, Yoshiyuki; Takahashi, Yoshio*

no journal, , 

In order to investigate the behavior of radium in the Ningyo-toge Environmental Engineering Center, radium in the core sample in the center was analyzed with HPGe semiconductordetector. As a result, concentrate of radium was observed in the weathered granite in the lower part of the core sample.

Oral presentation

Fixation of radium by adsorption on clay minerals based on analyses of core samples around Ningyo-toge uranium mine

Yamaguchi, Akiko; Kuribara, Yuichi; Okumura, Masahiko; Takahashi, Yoshio*

no journal, , 

no abstracts in English

Oral presentation

Oral presentation

Behavior of radium in Ningyo-toge Environmental Engineering Center

Kuribara, Yuichi; Yamaguchi, Akiko*; Higaki, Shogo*; Ohara, Yoshiyuki; Takahashi, Yoshio*

no journal, , 

In order to investigate the behavior of radium (Ra) in the Ningyo-toge Environmental Engineering Center, $$^{226}$$Ra/$$^{238}$$U activity ratio in two boring core samples in the center was analyzed with HPGe semiconductor detector. The $$^{226}$$Ra/$$^{238}$$U ratio was below 1 and over 1 in the U enriched and contained clay mineral layers, respectively. Based on the radioactive equilibrium and mass balance calculation, it was suggested that Ra and U eluted to groundwater migrated from the U enriched layer to the contained clay minerals layer when Ra was selectivity fixed on the contained clay mineral layer. EXAFS and micro-XRF-XANES-XRD for Ba, used as an analog of Ra, confirmed that Ba$$^{2+}$$ was adsorbed on clay minerals as IS complex, and Ra was expected to show similar behavior. Therefore, it was indicated that Ra migrated from U concentrated layer was adsorbed and fixed on clay minerals in the environment of the Ningyo-toge Environmental Engineering Center.

Oral presentation

Development of machine learning force fields of clay minerals

Okumura, Masahiko; Kobayashi, Keita*; Yamaguchi, Akiko

no journal, , 

no abstracts in English

55 (Records 1-20 displayed on this page)