TABOROSI Attila (タボロシ アティラ)
アクア・リジェネレーション機構
特任助教
研究者情報
ホームページURL
研究活動情報
論文
- Unified structural and interfacial stabilization of Ni-rich NCM811 via surface-enriched fluorination
Nobuyuki Zettsu; Attila Taborosi; Daniela Maria Josepetti; Youn Charles-Blin; Takumi Kondo; Kensuke Tsunoda; Kenjiro Hara; Hiromasa Shiiba; Shunsuke Narumi; Tien Quang Nguyen; Michihisa Koyama; Long Hoang Bao Nguyen; Nicolas Louvain
Communications Materials, 2026年08月, 査読有り
- Structure-hydration-transport relationships in alkyl sulfonated polyimides: backbone-controlled ordering and proton-transport descriptors
Attila Taborosi; Kentaro Aoki; Yuki Nagao; Michihisa Koyama
Polymer, 130575-130575, 2026年07月, 査読有り
筆頭著者, 責任著者 - Unraveling the unfolding mechanism of pseudoazurin: Insights into stabilizing cupredoxin fold as a common domain of Cu-containing proteins
Takahide Yamaguchi; Attila Taborosi; Kiyokazu Tsugane; Kathleen Wood; Andrew E. Whitten; Seiji Mori; Takamitsu Kohzuma
Journal of Inorganic Biochemistry, 268, 112907-112907, 2025年07月, 査読有り
責任著者 - Molecular Dynamics Simulation of Polymer Electrolyte Membrane for Understanding Structure and Proton Conductivity at Various Hydration Levels Using Neural Network Potential
Attila Taborosi; Kentaro Aoki; Nobuyuki Zettsu; Michihisa Koyama; Yuki Nagao
Macromolecules, 2025年04月, 査読有り
筆頭著者, 責任著者 - Effects of Alkyl Side Chain Length on the Structural Organization and Proton Conductivity of Sulfonated Polyimide Thin Films
Tetsuya Honbo; Yutaro Ono; Kota Suetsugu; Mitsuo Hara; Attila Taborosi; Kentaro Aoki; Shusaku Nagano; Michihisa Koyama; Yuki Nagao
ACS Applied Polymer Materials, 2024年11月, 査読有り - Exploring Electrolyte Adsorption on the Different Types of Layered Cathode Surfaces in Lithium-Ion Batteries via a Universal Neural Network Potential Method
Attila Taborosi; Hiromasa Shiiba; Michihisa Koyama; Nobuyuki Zettsu
ACS Omega, 2024年10月, 査読有り
筆頭著者, 責任著者 - Theoretical Investigations of Palladium‐Catalyzed [3+2] Annulation via Benzylic and meta C−H Bond Activation
Rie Yoshimoto; Attila Taborosi; Qiyuan He; Yusuke Ano; Naoto Chatani; Seiji Mori
Chemistry – An Asian Journal, 2023年09月, 査読有り - Development of molecular cluster models to probe pyrite surface reactivity
Manjinder Kour; Attila Taborosi; Eric S. Boyd; Robert K. Szilagyi
Journal of Computational Chemistry, 2023年08月, 査読有り - Systematic elucidation of the second coordination sphere effect on the structure and properties of a blue copper protein, pseudoazurin
Takahide Yamaguchi; Attila Taborosi; Chihiro Sakai; Kohei Akao; Seiji Mori; Takamitsu Kohzuma
Journal of Inorganic Biochemistry, 112292-112292, 2023年06月, 査読有り - Experimental and theoretical studies of the rhodium(i)-catalysed C–H oxidative alkenylation/cyclization of N-(2-(methylthio)phenyl)benzamides with maleimides
Aymen Skhiri; Attila Taborosi; Nozomi Ohara; Yusuke Ano; Seiji Mori; Naoto Chatani
Organic Chemistry Frontiers, 2023年, 査読有り - Effect of structural iron on nanoscroll formation via exfoliation of a high iron-content kaolin
Balázs Zsirka; Katalin Győrfi; Takahide Yamaguchi; Attila Táborosi; Veronika Vágvölgyi; Clara Parameswary; Zoltán Homonnay; Ernő Kuzmann; Erzsébet Horváth; János Kristóf
Journal of Materials Research, 2022年10月, 査読有り - Reaction Path Determination of Rhodium(I)-Catalyzed C–H Alkylation of N-8-Aminoquinolinyl Aromatic Amides with Maleimides
Attila Taborosi; Qiyuan He; Yusuke Ano; Naoto Chatani; Seiji Mori
The Journal of Organic Chemistry, 87(1), 737-743, 2022年01月, 査読有り
筆頭著者 - Unusual protein stability of the met16leu pseudoazurin variant
Yamaguchi, T.; Akatsu, M.; Taborosi, A.; Kohzuma, T.
Chemistry Letters, 49(12), 2020年, 査読有り - Computational Modelling Study on the Pseudoazurin Type 1 Cu Site
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
Proceedings of the 3rd International Symposium of Quantum Beam Science at Ibaraki University "Quantum Beam Science in Biology and Soft Materials (ISQBSS2018)", 2019年03月, 査読有り
筆頭著者, 責任著者 - The role for the weak interaction on the stabilization of copper-containing complex: DFT investigation of noncovalent interactions in ternary-Cu(II) (DA)(AA) complexes (DA = diamine and AA = amino acids) as a model of metalloprotein
Taborosi, A.; Yamaguchi, T.; Odani, A.; Yamauchi, O.; Kohzuma, T.
Bulletin of the Chemical Society of Japan, 92(11), 2019年, 査読有り
筆頭著者 - Solution structure determination of a copper-containing nitrite reductase of achromobacter cycloclastes by small angle neutron scattering
Yamaguchi, T.; Wood, K.; Taborosi, A.; Akao, K.; Kohzuma, T.
Chemistry Letters, 47(6), 2018年, 査読有り - Molecular Treatment of Nano-Kaolinite Generations
T{\'a}borosi, A.; Szilagyi, R.K.; Zsirka, B.; F{\'o}nagy, O.; Horv{\'a}th, E.; Krist{\'o}f, J.
Inorganic Chemistry, 57(12), 2018年, 査読有り
筆頭著者 - Surface Characterization of Mechanochemically Modified Exfoliated Halloysite Nanoscrolls
Zsirka, B.; T{\'a}borosi, A.; Szab{\'o}, P.; Szil{\'a}gyi, R.K.; Horv{\'a}th, E.; Juzsakova, T.; Fertig, D.; Krist{\'o}f, J.
Langmuir, 33(14), 2017年, 査読有り - Behaviour of the surface hydroxide groups of exfoliated kaolinite in the gas phase and during water adsorption
T{\'a}borosi, A.; Szil{\'a}gyi, R.K.
Dalton Transactions, 45(6), 2016年, 査読有り
筆頭著者 - Realistic molecular cluster models for exfoliated kaolinite
T{\'a}borosi, A.; Szilagyi, R.K.
Clay Minerals, 50(3), 2015年, 査読有り
筆頭著者 - Adsorption and Intercalation of Small Molecules on Kaolinite from Molecular Modelling Studies
Attila Taborosi
Hungarian Journal of Industry and Chemistry, 2014年08月, 査読有り
筆頭著者, 責任著者 - The positions of inner hydroxide groups and aluminium ions in exfoliated kaolinite as indicators of the external chemical environment
T{\'a}borosi, A.; Kurdi, R.; Szil{\'a}gyi, R.K.
Physical Chemistry Chemical Physics, 16(47), 2014年, 査読有り
筆頭著者 - Autosolvation: Architecture and selection of chiral conformers in alkylcobalt carbonyl molecular clocks
Kurdi, R.; T{\'a}borosi, A.; Zucchi, C.; P{\'a}lyi, G.
Symmetry, 6(3), 2014年, 査読有り
MISC
講演・口頭発表等
- Predicting Proton Conductivity in Alkyl Sulfonated Polyimides through Descriptor-Based Screening
タボロシ アティラ; 青木 健太郎; 長尾 祐樹; 古山 通久
データ駆動型材料科学研究会 2026年夏季 年会, 2026年07月 - Molecular dynamics simulation of ordering and proton conductivity in ASPI polymers
Attila Taborosi; Kentaro Aoki; Yuki Nagao; Michihisa Koyama
日本化学会 第106春季年会, 2026年03月 - Exploring structural, hydration and proton conductivity differences in alkyl sulfonated polyimide (ASPI) through molecular dynamics simulation
Attila Taborosi; Kentaro Aoki; Nobuyuki Zettsu; Yuki Nagao; Michihisa Koyama
Matlantis User Conference 2025, 2025年10月 - Understanding lithium-ion transport mechanism in alkyl sulfonated polyimides at cathode-polymer-electrolyte interfaces via multiscale modeling
Attila Taborosi; Kentaro Aoki; Nobuyuki Zettsu; MichihisaKoyama; Yuki Nagao
74th Symposium on Macromolecules, 2025年09月 - Unraveling proton conductivity mechanism of alkyl sulfonated polyimides by molecular dynamics using neural network potential
Attila Taborosi; Kentaro Aoki; Nobuyuki Zettsu; Michihisa Koyama; Yuki Nagao
日本化学会 第105春季年会, 2025年03月 - Electrolyte adsorption on NCM cathodes via neural network potential approach
Attila Taborosi; Michihisa Koyama; Nobuyuki Zettsu
電気化学会第92回大会, 2025年03月 - Exploring structural and proton conductivity differences in alkyl sulfonated polyimide (ASPI) through neural network potential molecular dynamics
Attila Taborosi; Kentaro Aoki; Noboyuki Zettsu; Michihisa Koyama; Yuki Nagao
73rd Symposium on Macromolecules, 2024年09月 - Predictive modelling of alkyl sulfonated polyimide (ASPI) combining neural network potential and force field methods
Attila Taborosi; Kentaro Aoki; Noboyuki Zettsu; Michihisa Koyama; Yuki Nagao
73rd Symposium on Macromolecules, 2024年09月 - Simulation of alkyl sulfonated polyimides (ASPI) for the understanding of structural, water uptake and proton conductivity differences
Attila Taborosi; Kentaro Aoki; Noboyuki Zettsu; Michihisa Koyama; Yuki Nagao
10th Japanese-Italian Workshop on Liquid Crystals, 2024年09月 - Electrolyte adsorption study on the different types of layered cathode surfaces of lithium-ion batteries with computational chemistry methods
Attila Taborosi; Michihisa Koyama; Noboyuki Zettsu
The 104th CSJ Annual Meeting, 2024年03月 - Characterization of the molecular level structure and interactions of different types of alkyl sulfonated polyimide with universal neural network potential
Attila Taborosi; Michihisa Koyama; Yuki Nagao; Noboyuki Zettsu
The 13th SPSJ International Polymer Conference, 2023年07月 - Excessive molecular structure and properties determination of different types of alkyl sulfonated polyimide (ASPI) with universal neural network potential (UNNP)
Attila Taborosi; Yuki Nagao; Michihisa Koyama; Noboyuki Zettsu
The 103rd CSJ Annual Meeting, 2023年03月 - Reaction path determination of rhodium(I)-catalyzed C-H alkylation of aromatic amides with maleimides
Attila Taborosi; Qiyuan He; Yusuke Ano; Naoto Chatani; Seiji Mori
The 6th Japan-Thai online workshop, 2021年11月 - The combined experimental and computational characterization of noncovalent weak interactions with the mutation of Blue Copper Protein, Pseudoazurin
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
The Fourth Asian Workshop of Experiment and Theory in Quantum Beam Molecular Sciences, 2021年11月 - The unfolding mechanism of Pseudoazurin determined by Small Angle Neutron Scattering and Molecular Dynamics simulation
Attila Taborosi; Takahide Yamaguchi; Kathleen Wood; Andrew Whitten; Seiji Mori; Takamitsu Kohzuma
The 101st CSJ Annual Meeting, 2021年03月 - Structural and computational studies of weak interactions at the second coordination sphere of Blue Copper Protein, Pseudoazurin and its Met16X variants
Attila Taborosi
The 70th Conference of Japan Society of Coordination Chemistry, 2020年09月, 招待有り - Elucidation of the weak interactions at the second coordination sphere of protein molecule: Structural and energetic studies of S-π, π-π and CH-π interactions in Met16X Pseudoazurin
Attila Taborosi; Takahide Yamaguchi; Chihiro Sakai; Kohei Akao; Seiji Mori; Takamitsu Kohzuma
4th International Symposium of Quantum Beam Science, 2019年10月 - Effect of Met16 mutation in the structure and Cu active size in Blue Copper Protein Pseudoazurin
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
IMS Supercomputer Workshop 2018, 2019年01月 - In silico investigation of non-bonding interactions in ternary Cu(II) complexes and cupredoxin
Attila Taborosi; Seiji Mori; Takamitsu Kohzuma
The 3rd International Symposium of Quantum Beam Science, 2018年05月 - In silico investigation of non-bonding interactions in ternary Cu(II) complexes and cupredoxin
Attila Taborosi; Seiji Mori; Takamitsu Kohzuma
The 3rd International Symposium of Quantum Beam Science, 2018年05月 - In silico examination of non-bonding interactions in proteins
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
The 98th CSJ Annual Meeting, 2018年03月 - Development of molecular cluster models for nano-kaolinite from crystalline structures
Attila Taborosi; Robert K. Szilagyi
8th Mid-European Clay Conference, 2016年07月 - A pirit ásvány szerkezetének in silico vizsgálata
Attila Taborosi; Robert K. Szilagyi
Innovations in Natural Sciences, 2015年09月 - In silico examination of pyrite mineral structure
Attila Taborosi; Robert K. Szilagyi
College of Engineering Montana State University, 2015年07月 - Investigation of structure and stability of exfoliated kaolinite
Attila Taborosi; Robert K. Szilagyi
2015 Montana ACS Spring Meeting, 2015年04月 - Investigation of the exfoliated kaolinite inner-OH and surface-OH with new molecular cluster model using quantum chemical methods
Attila Taborosi; Robert Kurdi; Robert K. Szilagyi
7th Mid-European Clay Conference, 2014年09月 - Kaolinit-komplexek interkalációs és adszorpciós vizsgálata kvantumkémiai módszerekkel
Attila Taborosi; Robert Kurdi; Robert K. Szilagyi
X. International Conference of Environmental Sciences of the Carpathian Basin, 2014年03月
共同研究・競争的資金等の研究課題
- Investigation and structural determination of pyrite minerals with experimental and computational chemistry techniques
Campus Hungary, The Balassi Institute
2015年 - Adsorption energy determination of kaolinite intercalation complexes with quantum chemistry methods
National Excellence Program, Office of Public Administration and Justice Hungary
2013年 - 2014年
