Publications by authors named "Shingo Urata"

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Comparison of quantitative PCR values and antigenemia for CMV monitoring in hematopoietic cell transplant recipients.
Yasuo Mori, Kentaro Kohno, Toshiyuki Ueno, Jun Odawara, Noriaki Kawano, Shingo Urata

Int J Hematol· December 2025

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Hydrophobicity-Governed Protein Adsorption on Poly(ω-methoxyalkyl acrylate) Surfaces: A Coarse-Grained Molecular Dynamics Study.
Hari O S Yadav, An-Tsung Kuo, Shingo Urata, Kosuke Funahashi, Yutaka Imamura

J Chem Theory Comput· October 2025

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Li diffusion in oxygen-chlorine mixed anion borosilicate glasses using a machine-learning simulation.
Shingo Urata, Noriyoshi Kayaba

J Chem Phys· October 2024

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Effect of three-body interaction on structural features of phosphate glasses from molecular dynamics simulations.
Navid Marchin, Shingo Urata, Jincheng Du

J Chem Phys· October 2024

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Impact of Atomic Defects on Ceria Surfaces on Chemical Mechanical Polishing of Silica Glass Surfaces.
Mirko Di Biase, Luca Brugnoli, Katsuaki Miyatani, Masatoshi Akaji, Takumi Yoshida, Shingo Urata

Langmuir· April 2024

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Atomistic mechanism of structural and volume relaxation below glass transition temperature in a soda-lime silicate glass revealed by Raman spectroscopy and its DFT calculations.
Taisuke Suzuki, Yuya Hamada, Masahiro Shimizu, Shingo Urata, Yasuhiko Shimotsuma

J Chem Phys· January 2024

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Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses.
Keita Kobayashi, Masahiko Okumura, Hiroki Nakamura, Mitsuhiro Itakura, Masahiko Machida, Shingo Urata

Sci Rep· November 2023

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Three-dimensional ordering of water molecules reflecting hydroxyl groups on sapphire (001) and α-quartz (100) surfaces.
Sho Nagai, Shingo Urata, Kent Suga, Takeshi Fukuma, Yasuo Hayashi

Nanoscale· August 2023

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New Atomistic Insights on the Chemical Mechanical Polishing of Silica Glass with Ceria Nanoparticles.
Luca Brugnoli, Katsuaki Miyatani, Masatoshi Akaji, Shingo Urata, Alfonso Pedone

Langmuir· April 2023

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Evidence of Multiple Crystallization Pathways in Lithium Disilicate: A Metadynamics Investigation.
Federica Lodesani, Maria Cristina Menziani, Shingo Urata, Alfonso Pedone

J Phys Chem Lett· February 2023

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Composition Effect on Interfacial Reactions of Sodium Aluminosilicate Glasses in Aqueous Solution.
Jayani Kalahe, Thiruvilla S Mahadevan, Madoka Ono, Katsuaki Miyatani, Shingo Urata

J Phys Chem B· January 2023

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Prognostic value of pre-transplantation total metabolic tumor volume on fluoro-2-deoxy-D-glucose positron emission tomography-computed tomography in relapsed and refractory aggressive lymphoma.
Takeshi Sugio, Shingo Baba, Yasuo Mori, Goichi Yoshimoto, Kenjiro Kamesaki, Shingo Urata

Int J Hematol· October 2022

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Composition Dependence of the Atomic Structures and Properties of Sodium Aluminosilicate Glasses: Molecular Dynamics Simulations with Reactive and Nonreactive Potentials.
Jayani Kalahe, Madoka Ono, Shingo Urata, Jincheng Du

J Phys Chem B· July 2022

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Adsorption characteristics of peptides on ω-functionalized self-assembled monolayers: a molecular dynamics study.
Hari O S Yadav, An-Tsung Kuo, Shingo Urata, Kosuke Funahashi, Yutaka Imamura

Phys Chem Chem Phys· June 2022

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Biasing crystallization in fused silica: An assessment of optimal metadynamics parameters.
Federica Lodesani, Maria Cristina Menziani, Shingo Urata, Alfonso Pedone

J Chem Phys· May 2022

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HOadsorption and dissociation on various CeO(111) surface models: a first-principles study.
Luca Brugnoli, Shingo Urata, Alfonso Pedone

J Phys Condens Matter· February 2022

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A new universal force-field for the LiS-PS system.
Shunsuke Ariga, Takahiro Ohkubo, Shingo Urata, Yutaka Imamura, Taketoshi Taniguchi

Phys Chem Chem Phys· January 2022

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Simulation of Catastrophic Failure in a Residual Stress Field.
Sayako Hirobe, Kenji Imakita, Haruo Aizawa, Yasumasa Kato, Shingo Urata

Phys Rev Lett· August 2021

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Mathematical model and numerical analysis method for dynamic fracture in a residual stress field.
Sayako Hirobe, Kenji Imakita, Haruo Aizawa, Yasumasa Kato, Shingo Urata

Phys Rev E· August 2021

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Outcomes of methotrexate-associated lymphoproliferative disorders in rheumatoid arthritis patients treated with disease-modifying anti-rheumatic drugs.
Takuya Harada, Hiromi Iwasaki, Tsuyoshi Muta, Shingo Urata, Aiko Sakamoto

Br J Haematol· July 2021

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Development and Application of a ReaxFF Reactive Force Field for Cerium Oxide/Water Interfaces.
Luca Brugnoli, Maria Cristina Menziani, Shingo Urata, Alfonso Pedone

J Phys Chem A· July 2021

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Self-assembly of the cationic surfactant -hexadecyl-trimethylammonium chloride in methyltrimethoxysilane aqueous solution: classical and reactive molecular dynamics simulations.
Shingo Urata, An-Tsung Kuo, Hidenobu Murofushi

Phys Chem Chem Phys· July 2021

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Structural origin of thermal shrinkage in soda-lime silicate glass below the glass transition temperature: A theoretical investigation by microsecond timescale molecular dynamics simulations.
Masahiro Shimizu, Teppei Murota, Shingo Urata, Yoichi Takato, Yuya Hamada

J Chem Phys· July 2021

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Effects of Side-Chain Spacing and Length on Hydration States of Poly(2-methoxyethyl acrylate) Analogues: A Molecular Dynamics Study.
An-Tsung Kuo, Shingo Urata, Ryohei Koguchi, Toshiki Sonoda, Shingo Kobayashi

ACS Biomater Sci Eng· June 2021

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Elucidating the Feature of Intermediate Water in Hydrated Poly(ω-methoxyalkyl acrylate)s by Molecular Dynamics Simulation and Differential Scanning Calorimetry Measurement.
An-Tsung Kuo, Toshiki Sonoda, Shingo Urata, Ryohei Koguchi, Shingo Kobayashi

ACS Biomater Sci Eng· July 2020

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