Researcher basic information

• Ph.D, Shimane University, Mar. 2018
• M.Sc., Shimane University, Mar. 2015
• B.Sc. and Eng., Shimane University, Mar. 2013

• https://researchmap.jp/ide_yuki?lang=en

• https://orcid.org/0000-0003-0648-0503
• https://jglobal.jst.go.jp/detail?JGLOBAL_ID=201901009358436253
• https://www.icredd.hokudai.ac.jp/ja/ide-yuki
• https://www.icredd.hokudai.ac.jp/ide-yuki

• 40883070

• https://orcid.org/0000-0003-0648-0503

• N-8514-2019

• 201901009358436253

• Image-based Machine Learning
• 化合物割合予測
• polyketone
• calix[3]pyrrole
• quantum chemistry calculation
• magnetic measurement
• paramagnetic
• π-conjugated compound
• porphyrinoid
• fullerene

• Nanotechnology/Materials, Structural organic chemistry and physical organic chemistry
• Nanotechnology/Materials, Inorganic/coordination chemistry

Research activity information

• Apr. 2014, Shimane University Student Award
• Nov. 2013, CSJ West Japan Chemistry Forum 2013 in Hiroshima, Student Presentation Award

• Discrete polyketones enable antibody click conjugation for selective exosome profiling
  Kunanon Chattrairat; Akira Yokoi; Yumehiro Manabe; Yuki Ide; Jiahui Shen; Takeshi Hasegawa; Mikiko Iida; Taiga Ajiri; Zetao Zhu; Ryosuke Uekusa; Masami Kitagawa; Yoshinobu Baba; Hiroaki Kajiyama; Yasuhide Inokuma; Takao Yasui
  Device, 101153, 101153, Elsevier BV, May 2026
  Scientific journal
• Superacid-resistant macrocyclic BODIPYs
  Keita Watanabe; Gentaro Honda; Yuki Terauchi; Shunsuke Mamiya; Yuya Inaba; Tasuku Nakajima; Jian Ping Gong; Yusaku Yamaguchi; Yuichi Kitagawa; Yasuchika Hasegawa; Yuki Ide; Min Gao; Tomoki Yoneda; Yasuhide Inokuma
  Nature Communications, 17, 1, Springer Science and Business Media LLC, 19 Mar. 2026, [Peer-reviewed], [International Magazine]
  English, Scientific journal, Abstract
  
  Boron-dipyrromethenes (BODIPYs) are versatile fluorophores with intense fluorescence and broad applications in bioimaging and sensing. However, they undergo deboronation under acidic conditions, which causes fluorescence degradation. Herein, we designed exceptionally acid-stable BODIPYs by harnessing the synergistic boron-chelation effect of calix[3]pyrrole-like macrocycles. We show that their characteristic optical properties are retained in strongly acidic media, including superacids, without undergoing deboronation. Macrocyclic BODIPYs exhibit sharp absorption and protonation-induced fluorescence switching, with quantum yields of up to 0.90 and narrow Stokes shifts. Notably, no deboronation was observed even in non-diluted fluorosulfuric acid, and visible fluorescence was sustained for over a day. Beyond their unusual acid resistance, the macrocyclic BODIPYs had higher thermal- and photostability compared with conventional BODIPYs. Peripheral substitution allowed the modulation of absorption and emission wavelengths, and fluorous-tagging through axial ligand exchange enabled fluorescence switching in response to perfluorooctanoic acid in a fluorous solvent. We used superacid-resistant BODIPYs as acid indicators for the fluorescence staining of Nafion beads and sulfonylated gels, which are too acidic to sustain the fluorescence emission of conventional BODIPYs. Our findings expand the scope of BODIPYs into strongly acidic, non-aqueous environments, opening opportunities for fluorescence imaging and sensing in materials and biological systems.
• Click conjugation using discrete polyketones enables dual anchoring of antibodies and nanowires for exosome profiling
  Kunanon Chattrairat; Akira Yokoi; Yumehiro Manabe; Yuki Ide; Takeshi Hasegawa; Mikiko Iida; Taiga Ajiri; Zetao Zhu; Ryosuke Uekusa; Masami Kitagawa; Yoshinobu Baba; Hiroaki Kajiyama; Yasuhide Inokuma; Takao Yasui
  American Chemical Society (ACS), 04 Sep. 2025
  English, Targeted molecular capture from complex biological fluids remains a critical challenge in extracellular vesicle (EV) analysis. Here we develop a nanowire-based microfluidic platform functionalized via a single-step click conjugation using N-hydroxysuccinimide-functionalized polyketones (pKNHSs) with discrete chain lengths. Tetrameric pKNHS enabled efficient and stable antibody immobilization on ZnO nanowires while minimizing non-specific adsorption. This chemically defined interface facilitated the selective capture of EVs from both cultured cells and serum, preserving membrane proteins and encapsulated miRNAs. Using antibody-modified nanowires, we identified distinct miRNA signatures associated with specific membrane markers in serum samples from patients with high-grade serous ovarian carcinoma. These results highlight the ability of discrete, chain-engineered polyketones to enable robust and tunable bioconjugation chemistry. The discrete-length polymer design also offers a generalizable strategy for precision surface engineering. Our approach offers a modular strategy for EV enrichment and molecular profiling with potential applications in liquid biopsy and precision diagnostics.
• Image-Based Machine Learning Using Inkjet-Printed Chemicals: Mixing Ratio Prediction and Metal Ion Detection
  Taichi Sano; Yuki Terauchi; Yuki Ide; Ichigaku Takigawa; Tsuyoshi Minami; Yasuhide Inokuma
  Organic Letters, 27, 32, 8841, 8845, American Chemical Society (ACS), 12 Jul. 2025, [Peer-reviewed], [Corresponding author]
  English, Scientific journal, 50212126
• Size-selective synthesis of calix[n]furan[2n]thiazoles bearing meso-CH₂ bridges
  Kotaro Shibata; Takuma Nakabayashi; Keita Watanabe; Yuki Ide; Tomoya Ichino; Yasuhide Inokuma
  Journal of Porphyrins and Phthalocyanines, 29, 01n02, 184, 190, World Scientific Pub Co Pte Ltd, Feb. 2025, [Peer-reviewed]
  English, Scientific journal, Size-selective synthesis of calixpyrrole-related macrocycles remains challenging, particularly for ring-contracted and expanded analogues, although calix[4]-type macrocycles are often obtained as major products via conventional acid-catalyzed condensation reactions of aryl monomers. Here, we found that the strain-based design of thiazole-containing macrocycles enables the size-selective synthesis of calixfuran[2[Formula: see text]]thiazoles ([Formula: see text] = 1 or 2) in which two thiazole units are linked by a methylene bridge. The DFT calculation through StrainViz analysis revealed that calix[1]furan[2]thiazole bearing a methylene bridge had a total strain of 11.2 kcal/mol, which was smaller than that of calix[3]pyrrole (13.4 kcal/mol). The target calix[1]furan[2]thiazole was almost exclusively formed in 45% yield by a Hantzsch reaction between the corresponding bis([Formula: see text]-bromoketone) and bis(thioamide) at 0.50 mM concentration. When the substrate concentration was increased above 10 mM, the calix[6]-type product, calix[2]furan[4]thiazole, was formed as the major product. Despite the existence of the meso-CH₂-bridge, the obtained macrocycles were stable to air oxidation. Acid-catalyzed hydrolysis of the furan rings in calix[1]furan[2]thiazole and subsequent Paal–Knorr reaction afforded calix[1]pyrrole[2]thiazole. We also found that the deformation angles [Formula: see text] determined from the single crystal X-ray structures show a good correlation with the total strain and synthetic yield of calix[3]-type compounds via direct macrocyclization.
• Metal‐Bridging Cyclic Bilatriene Analogue Affords Stable π‐Radicaloid Dyes with Near‐Infrared II Absorption
  Aninda Ghosh; Shigeki Mori; Yuki Ide; Jun Tae Song; Yoshihisa Yamaoka; Tatsumi Ishihara; Takahisa Ikeue; Hiroyuki Furuta; Masatoshi Ishida
  Angewandte Chemie International Edition, 64, 6, Wiley, 17 Dec. 2024, [Peer-reviewed]
  English, Scientific journal, Abstract
  
  Stable neutral metal radicaloid complexes have been synthesized from a modified tetrapyrrolic pigment, bilatriene, with iridium(I) and rhodium(I) cyclooctadiene (COD) synthons. The bilatriene skeleton contains α‐linked conjugated pyrrole units, whereas an N‐confused analogue used in this work possesses β‐linked pyrrole moieties at the terminal, demonstrating a unique metal binding capability. Unprecedentedly, the metal‐COD cations are accommodated at the outer nitrogen sites, which induced the formation of open‐shell metal‐radicaloid species. The resulting compounds are highly stable under ambient conditions and demonstrated facile redox conversion to afford the corresponding cation and anion species. Furthermore, the radicaloid complexes showed a distinct second near‐infrared absorption (NIR‐II) capability extending up to 1500 nm along with high photostability. These features emphasized that the complexes can be potential NIR‐II light‐responsible photothermal and photoacoustic imaging contrast agents based on the metal‐radicaloid dye platform.
• Synthesis and Properties of 5,15‐Dioxaporphyrin Bearing Various meso‐Aryl Substituents
  Yuki Tanaka; Taiyou Tsutsumi; Shigeki Mori; Yuki Ide; Takahisa Ikeue; Soji Shimizu
  Chemistry – An Asian Journal, 20, 3, Wiley, 03 Dec. 2024, [Peer-reviewed]
  English, Scientific journal, Abstract
  
  Herein, a scope of meso‐substituents for the synthesis of 5,15‐dioxaporphyrins (DOPs), a novel antiaromatic porphyrinoid, was investigated. DOPs with various types of aryl substituents were synthesized by nucleophilic aromatic substitution reaction of nickel bis(α,α’‐dibromodipyrrin) complexes bearing corresponding meso‐aryl substituents and subsequent intramolecular annulation reaction of β‐hydroxy‐substituted intermediates. Using a copper dipyrrin complex instead of nickel complexes, a copper complex of DOP was synthesized for the first time. The meso‐substituents did not significantly alter the antiaromaticity of DOPs but affected crystal packing diagrams and oxidation behaviors; DOPs with less sterically hindering para‐substituted phenyl or 2‐thienyl substituents formed mutual stacking in the crystal structures, whereas the covalently β‐β linked dimer species was generated during the electrochemical oxidation of those kinds of DOPs.
• Hydride Content Control of Perovskite Oxyhydride BaTiO_3–xH_x Supported by Image-Based Machine Learning
  Taichi Sano; Yuki Ide; Tatsuya Tsumori; Hiroki Ubukata; Ichigaku Takigawa; Hiroshi Kageyama; Yasuhide Inokuma
  ACS Applied Engineering Materials, 2, 10, 2391, 2396, American Chemical Society (ACS), 12 Oct. 2024, [Peer-reviewed], [Corresponding author]
  English, Scientific journal
• Molecular Dynamics‐Based Conformational Simulation Method for Analysis of Arrival Time Distributions in Ion Mobility Mass Spectrometry
  Keisuke Tashiro; Yuki Ide; Tetsuya Taketsugu; Kazuaki Ohara; Kentaro Yamaguchi; Masato Kobayashi; Yasuhide Inokuma
  Advanced Theory and Simulations, 7, 11, Wiley, 27 Jul. 2024, [Peer-reviewed]
  English, Scientific journal, Abstract
  
  Ion mobility‐mass spectrometry (IM‐MS) has recently contributed to the structural analysis of molecules, including supramolecules and proteins, by determining the ion arrival time distributions correlated with the collision cross sections (CCSs), as well as the mass‐to‐charge ratios. However, its application range is still limited owing to the lack of general CCSs simulation methods based on possible molecular conformations. Here, a molecular dynamics‐based conformational search method for simulating CCS distributions using projection approximation is reported. As a case study, the gas‐phase conformations of the sodium adducts of conformationally flexible polyketones with 3,3‐dimethylpentane‐2,4‐dione as the monomer are analyzed. The sodium adduct of the hexamer (m/z 781.4 for [1 + Na]⁺) showed a monomodal arrival time distribution, but that of the octamer sodium adduct (m/z 1033.5 for [2 + Na]⁺) is multimodal. The conformational analysis indicated an unimodal CCS distribution of simulated [1 + Na]⁺ conformations in which the sodium cation is mainly bound at the chain terminal. Conversely, four clusters of conformations are obtained for [2 + Na]⁺ based on the Na⁺‐coordination sites, which qualitatively reproduced the observed CCS distribution. This approach will extend the utility of IM‐MS for the conformational analysis of flexible molecules in the gas phase.
• One‐pot, Gram‐Scale Synthesis of Calix[5]‐ and Calix[6]furan: Derivatization for Polyketone‐ and Isopyrazole‐based Macrocycles with Conformational Analysis
  Tomoki Yoneda; Taichi Sano; Narendra Nath Pati; Yuki Ide; Yasuhide Inokuma
  Asian Journal of Organic Chemistry, 13, 5, Wiley, 29 Feb. 2024, [Peer-reviewed]
  English, Scientific journal, Abstract
  
  A gram‐scale synthesis of calix[5]‐ and calix[6]furan was achieved by a one‐pot condensation of furan and acetone followed by stepwise separation of calix[n]furans (n=4–6) using size‐selective precipitation procedures. Calix[n]furans were converted to cyclic polyketones and then to ethylene‐bridged cyclic isopyrazoles. The conformational analysis of the cyclic furan, polyketone, and isopyrazole macrocycles was performed based on their single crystal structures, providing important structural insights for intermolecular interactions. The scalable synthetic procedures for larger calix[n]furans and their derivatives would contribute to further coordination and host‐guest chemistry using their cavities.
• Strain-based design, direct macrocyclization, and metal complexation of thiazole-containing calix[3]pyrrole analogues
  Keita Watanabe; Kotaro Shibata; Tomoya Ichino; Yuki Ide; Tomoki Yoneda; Satoshi Maeda; Yasuhide Inokuma
  Inorganic Chemistry Frontiers, 11, 12, 3548, 3554, Royal Society of Chemistry (RSC), 2024, [Peer-reviewed]
  English, Scientific journal
• Cyclo[4]pyrrole with α–β direct linkages
  Yuhua Sun; Riku Kitahara; Tomoya Ichino; Yuki Ide; Hisanori Senboku; Soji Shimizu; Takayuki Tanaka; Yasuhide Inokuma
  Chemical Science, 15, 46, 19571, 19576, Royal Society of Chemistry (RSC), 2024, [Peer-reviewed]
  English, Scientific journal, A cyclo[4]pyrrole bearing pyrrole(α)–pyrrole(β) direct linkages was synthesized from an oligoketone precursor. Cyclo[4]pyrrole exhibited a non-planar macrocyclic structure whose global π-conjugation was altered depending on the dihedral angles.
• Machine Learning-Based Analysis of Molar and Enantiomeric Ratios and Reaction Yields Using Images of Solid Mixtures
  Yuki Ide; Hayato Shirakura; Taichi Sano; Muthuchamy Murugavel; Yuya Inaba; Sheng Hu; Ichigaku Takigawa; Yasuhide Inokuma
  Industrial & Engineering Chemistry Research, American Chemical Society (ACS), 23 Aug. 2023, [Peer-reviewed], [Lead author, Corresponding author], [International Magazine]
  English, Scientific journal
• CH₃CN@open‐C₆₀: An Effective Inner‐Space Modification and Isotope Effect Inside a Nano‐Sized Flask
  Guanglin Huang; Yuki Ide; Yoshifumi Hashikawa; Takashi Hirose; Yasujiro Murata
  Chemistry – A European Journal, 29, 47, Wiley, 13 Jul. 2023, [Peer-reviewed]
  English, Scientific journal, Abstract
  
  Despite several small molecules being encapsulated inside cage‐opened fullerene derivatives, such species have not considerably affected the structures and properties of the outer carbon cages. Herein, we achieved an effective inner‐space modification for an open‐cage C₆₀ derivative by insertion of a neutral CH₃CN molecule into the cavity. The CH₃CN@open‐C₆₀ thus obtained showed an enhanced polarity, thus affording an easy separation from a mixture containing the empty cage by column chromatography on silica gel, without the preparative HPLC that was needed for previous cases. The less negative reduction potentials with respect to those of empty cage reflect the decreased energy level of the LUMO, which is supported by the DFT calculations. NMR spectroscopy, single‐crystal X‐ray analysis, and theoretical calculations revealed that both the presence of the encapsulated CH₃CN and cage deformation caused by the CH₃CN play an essential role in the change of the electronic properties. Furthermore, the favored binding affinity of deuterated acetonitrile CD₃CN with internal C₆₀ surface is discussed.
• Machine Learning-Based Analysis of Molar and Enantiomeric Ratios and Reaction Yields Using Images of Solid Mixtures
  Yuki Ide; Hayato Shirakura; Taichi Sano; Muthuchamy Murugavel; Yuya Inaba; Sheng Hu; Ichigaku Takigawa; Yasuhide Inokuma
  ChemRxiv, American Chemical Society (ACS), 26 May 2023, [Lead author, Corresponding author]
  English, Visual observations are frequently used as a preliminary evaluation of the chemical contents of mixtures, but their accuracy largely depends on the observer’s experience and intuition, which are difficult to share. Here, we report component ratio pre-diction using image-based machine learning (ML), which is applicable to analysis of various solid mixtures, such as mix-tures of organics and inorganics, polymorphous crystals, and enantiomers. The trained model with 300 images could predict the sugar/dietary salt weight ratio from an image within 4% error. The ML prediction pipeline was shown to be broadly ap-plicable to polymorphic glycine, D/L-tartaric acid, and four-component systems. As an application demonstration, we also used our ML system to analyze yield of a solid-state decarboxylation reaction. These results demonstrated that accumulation of researchers’ experience derived from visual information can be shared as trained ML models and used as a quantitative analysis method.
• The geometry of calix[3]pyrrole and the formation of the calix[3]pyrrole·F− complex in solution
  Ranajit Saha; Jenny Pirillo; Yuki Ide; Yasuhide Inokuma; Yuh Hijikata
  Theoretical Chemistry Accounts, 142, 5, Springer Science and Business Media LLC, 26 Apr. 2023, [Peer-reviewed]
  Scientific journal
• Chain-Length-Dependent Hydrogen-Bonded Self-Assembly of Terminally Functionalized Discrete Polyketones
  Kilingaru I. Shivakumar; Yumehiro Manabe; Tomoki Yoneda; Yuki Ide; Yasuhide Inokuma
  Precision Chemistry, 1, 1, 34, 39, American Chemical Society (ACS), 27 Mar. 2023, [Peer-reviewed]
  Scientific journal
• Chiral Calix[3]pyrrole Derivatives: Synthesis, Racemization Kinetics, and Ring Expansion to Calix[9]‐ and Calix[12]pyrrole Analogues
  Yuya Inaba; Jian Yang; Yu Kakibayashi; Tomoki Yoneda; Yuki Ide; Yuh Hijikata; Jenny Pirillo; Ranajit Saha; Jonathan L Sessler; Yasuhide Inokuma
  Angewandte Chemie International Edition, 62, 15, e202301460, Wiley, 13 Feb. 2023, [Peer-reviewed]
  Scientific journal
• Toward calix[2]-type macrocycles: Synthesis and structural analysis of cyclic tetraketone and highly strained furanophane
  Taichi Sano; Yuhua Sun; Taichi Mukai; Yuya Inaba; Tomoki Yoneda; Yuki Ide; Jenny Pirillo; Yuh Hijikata; Yasuhide Inokuma
  Journal of Porphyrins and Phthalocyanines, World Scientific Pub Co Pte Ltd, 21 Jan. 2023, [Peer-reviewed], [Invited]
  Scientific journal
• Absorption spectra of calix[3]pyrrole analogs as probes for contracted macrocycles
  Keita Watanabe; Ranajit Saha; Yuya Inaba; Yumehiro Manabe; Tomoki Yoneda; Yuki Ide; Yuh Hijikata; Yasuhide Inokuma
  Journal of Porphyrins and Phthalocyanines, 27, 01n04, 157, 163, World Scientific Pub Co Pte Ltd, 11 Nov. 2022, [Peer-reviewed], [Invited]
  English, Scientific journal, Calix[3]pyrrole and its furan derivatives exhibited bathochromically shifted lowest-energy electronic transition bands in their absorption spectra compared with their calix[4]- and calix[6]-pyrrole analogues, despite the repeating units being the same. We also observed fluorescence emission for calix[3]-type macrocycles. The Stokes shift of the furan/pyrrole hybrid macrocycles, calix[2]furan[1]-pyrrole, and calix[1]furan[2]pyrrole, substantially varied depending on the solvent polarity. Non-covalent interaction (NCI) analyses indicated enhanced interactions between neighboring aromatic rings in the calix[3]pyrrole macrocycle, whereas such interactions were weak in calix[4]pyrrole, in which the interchromophore distance is remarkably longer than in calix[3]pyrrole. Theoretical analyses indicated that the red-shifted, lowest-energy bands of calix[3]pyrrole correspond to HOMO–LUMO transitions, the energy gap of which was narrow compared with calix[4]pyrroles. The characteristic absorption bands for calix[3]pyrrole and its related macrocycles are useful as probes for distinguishing such macrocycles from higher calixpyrrole ([Formula: see text] 4) analogues that exhibit almost identical absorption spectra.
• Determination of the Critical Chain Length for Macromolecular Crystallization Using Structurally Flexible Polyketones
  Yuki Ide; Yumehiro Manabe; Yuya Inaba; Yusuke Kinoshita; Jenny Pirillo; Yuh Hijikata; Tomoki Yoneda; Kilingaru I. Shivakumar; Saki Tanaka; Hitoshi Asakawa; Yasuhide Inokuma
  Chemical Science, 13, 34, 9848, 9854, Royal Society of Chemistry (RSC), 14 Sep. 2022, [Peer-reviewed], [Lead author]
  Scientific journal, Critical chain length that divides small molecular crystallization from macromolecular crystallization is an important index in macro-organic chemistry to predict chain-length dependent properties of oligomers and polymers. However, extensive researches...
• Strain‐Induced Ring Expansion Reactions of Calix[3]pyrrole‐Related Macrocycles
  Yuya Inaba; Yu Kakibayashi; Yuki Ide; Jenny Pirillo; Yuh Hijikata; Tomoki Yoneda; Yasuhide Inokuma
  Chemistry – A European Journal, 28, 17, Wiley, 22 Mar. 2022, [Peer-reviewed]
  Scientific journal
• Alkali Metal Ion Binding Using Cyclic Polyketones
  Narito Ozawa; Kilingaru I. Shivakumar; Muthuchamy Murugavel; Yuya Inaba; Tomoki Yoneda; Yuki Ide; Jenny Pirillo; Yuh Hijikata; Yasuhide Inokuma
  Chemical Communications, 58, 18, 2971, 2974, 04 Mar. 2022, [Peer-reviewed]
  English, Scientific journal
• An H2O2 Molecule Stabilized inside Open‐Cage C60 Derivatives by a Hydroxy Stopper
  Guanglin Huang; Shota Hasegawa; Yoshifumi Hashikawa; Yuki Ide; Takashi Hirose; Yasujiro Murata
  Chemistry – A European Journal, 28, 2, e202103836, Wiley, 10 Jan. 2022, [Peer-reviewed]
  English, Scientific journal
• Isopyrazole‐Masked Tetraketone: Tautomerism and Functionalization for Fluorescent Metal Ligands
  Hayato Shirakura; Yumehiro Manabe; Chika Kasai; Yuya Inaba; Makoto Tsurui; Yuichi Kitagawa; Yasuchika Hasegawa; Tomoki Yoneda; Yuki Ide; Yasuhide Inokuma
  European Journal of Organic Chemistry, 2021, 30, 4345, 4349, Wiley, 13 Aug. 2021, [Peer-reviewed], [International Magazine]
  English, Scientific journal
• Calix[3]pyrrole: A Missing Link in Porphyrin-Related Chemistry
  Yuya Inaba; Yu Nomata; Yuki Ide; Jenny Pirillo; Yuh Hijikata; Tomoki Yoneda; Atsuhiro Osuka; Jonathan L. Sessler; Yasuhide Inokuma
  Journal of the American Chemical Society, 143, 31, 12355, 12360, American Chemical Society ({ACS}), 11 Aug. 2021, [Peer-reviewed], ［Internationally co-authored］, [International Magazine]
  English, Scientific journal
• Insoluble π‐Conjugated Polyimine as an Organic Adsorbent for Group 10 Metal Ions
  Hayato Shirakura; Yuh Hijikata; Jenny Pirillo; Tomoki Yoneda; Yumehiro Manabe; Muthuchamy Murugavel; Yuki Ide; Yasuhide Inokuma
  European Journal of Inorganic Chemistry, 2021, 17, 1705, 1708, Wiley, 07 May 2021, [Peer-reviewed], [Corresponding author]
  English, Scientific journal
• Reversible Redox System of 2‐Oxypyritriphyrin(1.2.1) Accompanying Interconversion between 3‐Pyridone and 3‐Hydroxypyridine Units
  Su-Gi Chong; Tomoki Yoneda; Yuki Ide; Saburo Neya
  Chemistry – An Asian Journal, 16, 9, 1077, 1080, Wiley, 03 May 2021, [Peer-reviewed], [International Magazine]
  English, Scientific journal
• Aliphatic polyketones as classic yet new molecular ropes for structural diversity in organic synthesis
  Yasuhide Inokuma; Tomoki Yoneda; Yuki Ide; Shota Yoshioka
  Chemical Communications, 56, 64, 9079, 9093, Royal Society of Chemistry (RSC), 2020, [Peer-reviewed], [Invited], [International Magazine]
  English, Scientific journal,

  Synthesis, reactivity, and recent chemistry developments regarding aliphatic polyketones are highlighted with respect to chain sequences. These classic compounds are still showing new research potentials.

• Singlet oxygen generation of subphthalocyanine-fused dimer and trimer
  Rei Fujishiro; Hayato Sonoyama; Yuki Ide; Takuya Fujimura; Ryo Sasai; Nichole E. M. Kaufman; Zehua Zhou; M. Graça H. Vicente; Takahisa Ikeue
  Journal of Porphyrins and Phthalocyanines, 24, 01n03, 211, 219, Jan. 2020, [Peer-reviewed], ［Internationally co-authored］, [International Magazine]
  English, Scientific journal, Subphthalocyanine (SubPc) macrocycles are known as an interesting class of nonplanar aromatic dyes. Despite documented high fluorescence and singlet oxygen quantum yields, the properties of SubPcs in photodynamic therapy (PDT) are underestimated, because their absorption bands do not reach a significant wavelength range. With this in mind, we combined a SubPc ring and a SubPc ring by introducing a common benzene ring and obtained a SubPc dimer (2) and trimer (3) with the Q-band at the near-IR region, owing to the expansion of the [Formula: see text] electron conjugated system. In this study, we reported 1O2 generation abilities of 2 and 3based on the applied absolute singlet oxygen quantum yields ([Formula: see text]absolute). Subsequent research revealed that 2 and 3 showed the potential to generate 1O2 to not only in toluene but also in DMSO. Although the photocytotoxicity of 2 and 3 were investigated upon photo-irradiation with a low light dose of approximately 1.5 J/cm2, 2 and 3 showed almost negligible toxic properties toward HEp2 cells.
• Coordination‐Induced Spin‐State Switching of an Aminyl‐Radical‐Bridged Nickel(II) Porphyrin Dimer between Doublet and Sextet States
  Daiki Shimizu; Yuki Ide; Takahisa Ikeue; Atsuhiro Osuka
  Angewandte Chemie, 131, 15, 5077, 5081, Wiley, 01 Apr. 2019, [Peer-reviewed]
  Scientific journal
• Coordination-Induced Spin-State Switching of an Aminyl-Radical-Bridged Nickel(II) Porphyrin Dimer between Doublet and Sextet States
  Shimizu, D.; Ide, Y.; Ikeue, T.; Osuka, A.
  Angewandte Chemie - International Edition, 58, 15, 5023, 5027, 2019, [Peer-reviewed]
  Scientific journal
• Synthesis, photodynamic activities, and cytotoxicity of new water-soluble cationic gallium(III) and zinc(II) phthalocyanines
  Fujishiro, R.; Sonoyama, H.; Ide, Y.; Fujimura, T.; Sasai, R.; Nagai, A.; Mori, S.; Kaufman, N.E.M.; Zhou, Z.; Vicente, M.G.H.; Ikeue, T.
  Journal of Inorganic Biochemistry, 192, 7, 16, 2019, [Peer-reviewed]
  Scientific journal
• Nickel (II) pyrrocorphin: Enhanced binding ability in a highly reduced porphyrin complex
  Ide, Y.; Kuwahara, T.; Takeshita, S.; Fujishiro, R.; Suzuki, M.; Mori, S.; Shinokubo, H.; Nakamura, M.; Yoshino, K.; Ikeue, T.
  Journal of Inorganic Biochemistry, 178, 115, 124, 2018, [Peer-reviewed], [Lead author], [International Magazine]
  Scientific journal
• Benzonorcorrole Ni^II Complexes: Enhancement of Paratropic Ring Current and Singlet Diradical Character by Benzo-Fusion
  Yoshida, T.; Takahashi, K.; Ide, Y.; Kishi, R.; Fujiyoshi, J.-Y.; Lee, S.; Hiraoka, Y.; Kim, D.; Nakano, M.; Ikeue, T.; Yamada, H.; Shinokubo, H.
  Angewandte Chemie - International Edition, 57, 8, 2209, 2213, 2018, [Peer-reviewed], ［Internationally co-authored］, [International Magazine]
  Scientific journal
• Molecular structure and spectroscopic properties of [2,3,9,10,16,17,23,24-octakis(3-carboxyphenoxy)phthalocyaninato-κ⁴N](pyridine-κN)zinc(ii) pyridine octasolvate
  Fujishiro, R.; Sonoyama, H.; Ide, Y.; Mori, S.; Sugimori, T.; Nagai, A.; Yoshino, K.; Nakamura, M.; Ikeue, T.
  Heterocycles, 94, 1, 131, 139, 2017, [Peer-reviewed], [Domestic magazines]
  English, Scientific journal
• Crystal Structure of a Six-coordinated (2,3,7,8,12,13,17,18-Octaethylporphyrinato)-iron(III) Complex with Two 4-Methylpyridine A-Oxides
  Ide, Y.; Yamada, Y.; Mori, S.; Ikeue, T.
  X-ray Structure Analysis Online, 33, 5, 25, 27, 2017, [Peer-reviewed], [Lead author], [Domestic magazines]
  Scientific journal
• Different Antiferromagnetic Coupling between 5,5′- and 10,10′-Linked Iron(III) Corrole Dimers
  Tanaka, T.; Ooi, S.; Ide, Y.; Ikeue, T.; Suzuki, M.; Chen, P.P.-Y.; Takahashi, M.; Osuka, A.
  European Journal of Inorganic Chemistry, 2017, 10, 1374, 1381, 2017, [Peer-reviewed], ［Internationally co-authored］, [International Magazine]
  English, Scientific journal
• Crystal structure of a six-coordinated [5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-porphyrinato-k⁴N]iron(III) complex with two 3,5-dimethylpyridine N-oxides
  Ide, Y.; Hosoda, H.; Ishimae, H.; Mori, S.; Ikeue, T.
  X-ray Structure Analysis Online, 33, 8, 49, 51, 2017, [Peer-reviewed], [Lead author], [Domestic magazines]
  Scientific journal
• Spin-crossover between high-spin (S = 5/2) and low-spin (S = 1/2) states in six-coordinate iron(iii) porphyrin complexes having two pyridine-N oxide derivatives
  Ide, Y.; Murai, N.; Ishimae, H.; Suzuki, M.; Mori, S.; Takahashi, M.; Nakamura, M.; Yoshino, K.; Ikeue, T.
  Dalton Transactions, 46, 1, 242, 249, 2017, [Peer-reviewed], [Lead author], [International Magazine]
  English, Scientific journal
• Preparation, structure, and dynamic and electrochemical behaviors of dinuclear rhodium(I) complexes with bridging formamidinato ligands
  Ide, Y.; Ikeue, T.; Kataoka, Y.; Inoue, R.; Nakamura, M.; Yoshioka, D.; Mikuriya, M.; Kawamoto, T.; Handa, M.
  Journal of Organometallic Chemistry, 803, 92, 103, 2016, [Peer-reviewed], [Lead author], [International Magazine]
  Scientific journal
• Synthesis, structures, and properties of lantern-type dinuclear ruthenium(II,III) complexes cis-[Ru2{3,5-(CF3)2-pf}2(O2CMe)2Cl] and [Ru2{3,5-(CF3)2-pf}3(O2CMe)Cl], 3,5-(CF3)2-pf^- = N,N′-bis[3,5-bis(trifluoromethyl)phenyl]formamidinate anion
  Harada, Y.; Ikeue, T.; Ide, Y.; Kimura, Y.; Hiromitsu, I.; Yoshioka, D.; Mikuriya, M.; Kataoka, Y.; Handa, M.
  Inorganica Chimica Acta, 424, 186, 193, ELSEVIER SCIENCE SA, 2014, [Peer-reviewed], [International Magazine]
  English, Scientific journal

• Efficient Training Data Collection Using an Inkjet Printer for Image-based Machine Learning Prediction of Mixing Ratio
  佐野太一; 井手雄紀; 瀧川一学; 瀧川一学; 南豪; 猪熊泰英; 猪熊泰英, 日本化学会春季年会講演予稿集(Web), 105th, 2025
• Metal Ion Content Prediction Using Organic Sensor Molecule and Image-Based Machine Learning
  寺内夕輝; 佐野太一; 白倉逸人; 井手雄紀; 瀧川一学; 瀧川一学; 猪熊泰英; 猪熊泰英, 日本化学会春季年会講演予稿集(Web), 105th, 2025
• 画像と機械学習を活用した混合比および反応収率予測システムの構築
  井手 雄紀, 有機結晶部会ニュースレター, 58, 3, 4, Aug. 2024
  Japanese, Introduction other
• Image-based Machine Learning Prediction for Mixing Ratio of Solids from Droplet Drying
  佐野太一; 白倉逸人; 井手雄紀; HU Sheng; 瀧川一学; 瀧川一学; 猪熊泰英; 猪熊泰英, 日本化学会春季年会講演予稿集(Web), 104th, 2024
• 研究者の観察眼を画像機械学習でつくりだすー写真から固体の混合比を予測するシステムの構築
  井手 雄紀; 猪熊 泰英, 化学, 78, 12, 34, 38, 01 Dec. 2023
  Japanese, Introduction commerce magazine
• Analysis of physical properties for porphyrinoid compounds and their application to PDT
  Yuki Ide, The CELL, 54, 1, 42, 43, Jan. 2022, [Lead author]
  Japanese
• ポルフィリン鉄(III)誘導体の電子状態およびESRシミュレーション
  井手雄紀; 石前裕樹; 山田祐也; 鈴木優章; 森重樹; 中村幹夫; 池上崇久, 電子スピンサイエンス学会年会講演要旨集, 55th, 2016

• Image-based machine learning system as research tool for solid chemicals
  Yuki Ide; Taichi Sano; Ichigaku Takigawa; Yasuhide Inokuma
  Pacifichem 2025, 18 Dec. 2025, English, Poster presentation
  15 Dec. 2025 - 20 Dec. 2025
• Towards Applying Image-Based Machine Learning Systems to Chemical Research
  Yuki Ide
  Chandigarh University International Webinar, 01 Dec. 2025, English, Public discourse
  [Invited]
• Inkjet Printing–Assisted Image Machine Learning System for Chemical Analysis
  Yuki Ide; Taichi Sano; Ichigaku Takigawa; Yasuhide Inokuma
  The 9th. ICReDD International Symposium, 17 Oct. 2025, English, Poster presentation
  16 Oct. 2025 - 17 Oct. 2025
• 画像機械学習システムを活用した科学研究への展開
  井手雄紀
  科学研究の自律化コロキウム＠札幌, 21 Mar. 2025, Japanese
• 画像機械学習を活用した化学研究への展開
  井手 雄紀
  若手研究者のための有機化学札幌セミナー, 30 Oct. 2024, Japanese, Public discourse
  [Invited]
• Methods for Efficient Image Data Collection in Image-based Machine Learning Prediction System
  Yuki Ide; Ichigaku Takigawa; Yasuhide Inokuma
  The 8th. ICReDD International Symposium: The Rising Star Program, 23 Oct. 2024, English, Poster presentation
  22 Oct. 2024 - 24 Oct. 2024
• 砂糖と塩の混合比予測から始める 画像機械学習システム
  井手 雄紀
  超分子創製化学セミナー(第 96 回), 25 Sep. 2024, Japanese
  [Invited]
• 砂糖と塩を見分けるAI ～この結晶はどっち！？～
  井手 雄紀
  北海道大学 研究所・センター等合同一般公開 サイエンストーク, 08 Jun. 2024, Japanese, Public discourse
• Mixing Ratio Prediction of Trace Samples by Image-based Machine Learning System
  Yuki Ide; Sheng Hu; Ichigaku Takigawa; Yasuhide Inokuma
  The 7th. ICReDD International Symposium: The Rising Star Program, 18 Jan. 2024, English
  18 Jan. 2024 - 19 Jan. 2024
• 画像と機械学習を活用した 混合比予測システムの社会実装
  井手 雄紀
  北海道大学サイエンスフェスタ2023, 16 Dec. 2023, Public discourse
  16 Dec. 2023 - 17 Dec. 2023
• 画像を用いた機械学習システムによる混合割合予測 -経験豊富な研究者の眼と勘を再現-
  井手 雄紀
  第９回 錯体化学若手の会 北海道支部勉強会, 10 Nov. 2023, Japanese, Invited oral presentation
  10 Nov. 2023 - 10 Nov. 2023, [Invited]
• 画像を用いた機械学習システムによる結晶性化合物の混合割合予測
  井手 雄紀; 白倉 逸人; 佐野 太一; Hu Sheng; 瀧川 一学; 猪熊 泰英
  第31回有機結晶シンポジウム, 03 Nov. 2023, Japanese, Oral presentation
  02 Nov. 2023 - 03 Nov. 2023
• Application of Machine Learning System Based on Solid State Images for Chemical Research
  Yuki Ide; Sheng Hu; Ichigaku Takigawa; Yasuhide Inokuma
  6th. ICReDD International Symposium, 10 Sep. 2023, English, Poster presentation
  10 Sep. 2023 - 11 Sep. 2023
• Prediction of Solid Chemical Mixture Ratios Using Image-based Machine Learning System
  Yuki Ide; Taichi Sano; Hayato Shirakura; Hu Sheng; Ichigaku Takigawa; Yasuhide Inokuma
  5th. ICReDD International Symposium, 10 Jan. 2023, English
• Approaches to Construction of Chemical Reaction Image Diagnosis System Using Machine Learning
  Yuki Ide
  ICReDD/Hokkaido University Five Attached Institutes Joint Symposium, 07 Mar. 2022, English, Nominated symposium
  07 Mar. 2022 - 07 Mar. 2022, [Invited]
• Conversion of Functional Groups from Aliphatic Polyketones to π-conjugated Polyimines
  Yuki Ide; Yumehiro Manabe; Hayato Shirakura; Yuh Hijikata; Jenny Pirillo; Tomoki Yoneda; Yasuhide Inokuma
  3rd. ICReDD International Symposium, 22 Feb. 2021, English, Poster presentation
  22 Feb. 2021 - 24 Feb. 2021
• Dinuclear Rhodium(I) Complexes with Formamidinate and Cyclooctadiene
  Yuki Ide; Takahisa Ikeue; Daisuke Yoshioka; Masahiro Mikuriya; Tatsuya Kawamoto; Yusuke Kataoka; Makoto Handa
  「新規分子磁性化合物の探索」2014年シンポジウム, Oct. 2014, English
  [Invited]

• Sep. 2015 - Present
  The Society of Electron Spin Science and Technology (SEST)
• Jul. 2015 - Present
  The Society of Physical Organic Chemistry
• Oct. 2012 - Present
  The Chemical Society of Japan

• ユーザーフレンドリーな画像機械学習予測システムの構築と物性評価への応用
  科学研究費助成事業
  Apr. 2025 - Mar. 2028
  井手 雄紀
  日本学術振興会, 若手研究, 北海道大学, Principal investigator, 25K18056
• Evaluation of Photosensitivity by Difference in Molecular Size and Its Application to PDT
  Grants-in-Aid for Scientific Research Grant-in-Aid for Early-Career Scientists
  01 Apr. 2021 - 31 Mar. 2023
  井手 雄紀
  光線力学的療法（PDT）は、光感受性物質が集積している箇所にレーザー光を照射することで一重項酸素を発生させ、がん細胞を死滅させる治療法である。一方で、大きな分子のがん細胞へ集積する特性（EPR効果）が知られており、分子サイズの違いが影響を与えることは非常に興味深い。そこで、分子サイズの精密な制御が可能な鎖状および環状ポリケトンの合成を試みた。環状ポリケトンにおいては、分子サイズに応じてアルカリ金属イオンとの相互作用が大きく異なることがわかった。鎖状もしくは環状化合物と構造的制御を行うことで、同じ分子量をもつ化合物においても、触媒反応への適用可能性や蛍光発光挙動を示した(Chem.Commun., 2022)。また、鎖状ヘキサケトンから小さな環状化合物であるcalix[3]pyrroleおよびcalix[3]furanの合成を達成している(J. Am. Chem. Soc., 2021)。calix[3]pyrrole類縁体は環構造の歪みに由来して酸性条件下では環拡大反応が進行することもわかっており、そのメカニズムをHPLCによる反応追跡、量子計算の結果に基づいて明らかにした(Chem. Eur. J., 2021)。難溶性π共役ポリイミン化合物を利用した第10族金属イオンの吸着率について検討を行った(Eur. J. Inorg. Chem., 2021)。ポリケトンの骨格にイミン部位を組み込むことで、ポリケトンの互変異性が抑制された化合物が得られ、金属キレート部位および蛍光発光部位を導入することで微量金属イオン検出の機能を創出することに成功した(Eur. J. Org. Chem., 2021)。以上のように、異なる分子サイズのケトンおよびイミン化合物を合成し、様々な機能を創出してきた。
  Japan Society for the Promotion of Science, Grant-in-Aid for Early-Career Scientists, Hokkaido University, 21K14597
• Mechanistic Study and New Function of Soft Crystals with Molecular Domino Phase Change
  Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
  30 Jun. 2017 - 31 Mar. 2022
  Ito Hajime
  This research was conducted to extend the function and elucidate the mechanism of soft crystals, which have properties intermediate between crystals, solids, and liquid crystals. As new soft crystals, we have successfully developed crystals with jumping properties and elucidated their mechanisms upon external stimuli. They also succeeded in developing luminescent amphiphilic dynamic crystals and a luminescent ferroelastic complex crystal with rotational part at the molecular level within the crystal. Furthermore, inspired by the study of soft crystals, wee discovered many new mechanochemical organic synthetic reactions.
  Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Hokkaido University, 17H06370
• Exploration of Water-Soluble Paramagnetic Porphyrinoid Complexes for Development of MRI Contrast Agents
  ２０２０年度 研究開発助成事業 若手研究人材育成事業 若手研究人材・ネットワーク育成補助金（ノースタレント補助金）
  Aug. 2020 - Mar. 2021
  井手雄紀
  Northern Advancement Center for Science ＆ Technology, 北海道大学 化学反応創成研究拠点(ICReDD), Principal investigator

• 画像診断システム及び学習方法
  Patent right, 猪熊 泰英, 瀧川 一学, 井手 雄紀
  特願2022-144017, 09 Sep. 2022
  特開2023-058429, 25 Apr. 2023

• 砂糖と塩、見た目だけで区別せよ！ AI VS 研究者 北大の挑戦
  12 Oct. 2023
  朝日新聞デジタル
  [Internet]
• 混ざった塩と砂糖、機械学習で比率を予測 北大 研究者の目と勘を育てる
  08 Sep. 2023
  産経新聞
  [Internet]
• 砂糖と塩を写真で識別 北大、化学反応の監視に応用も
  08 Sep. 2023
  日本経済新聞
  [Paper]
• 北大が砂糖と塩の混合比を画像から予測するシステムを開発 - 熟練者の眼を再現
  28 Aug. 2023
  マイナビニュース
  [Internet]