Original Papers

Recent developments and applications of reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED): A hybrid model of quantum chemistry and integral equation theory of molecular liquids

Imamura, K.; Yokogawa, D.; Sato, H.

J. Chem. Phys. 2024, 160, 050901.

DOI:10.1063/5.0190116

Lagrangian of extended multiconfigurational self-consistent field second-order quasidegenerate perturbation theory combined with reference interaction site model self-consistent field constraint spatial electron density

Negishi, N.; Yokogawa, D.

J. Chem. Phys. 2024, 160, 114104.

DOI:10.1063/5.0196876

Vibrational Self-Consistent Field (VSCF) and Post-VSCF Method Calculations Combined with the Reference Interaction Site Model Self-Consistent Field Method Coupled with the Constrained Spatial Electron Density Distribution: Applications to NaHCOO in Aqueous Phase

Suda, K.; Yokogawa, D.

J. Chem. Theory Comput. 2004, 20, 4885-4892.

DOI:10.1021/acs.jctc.4c00360

Feature attributions for water–solubility predictions obtained via artificial intelligence methods and chemists

Sadakane, T.; Nakata, K.; Suda, K.; Yokogawa, D.

Bulletin of the Chemical Society of Japan 2024, 97, 121.

DOI:10.1093/bulcsj/uoae121

Faster Excited-State Intramolecular Electron Transfer from Perylenediimide Dianion Compared to Its Radical Anion

Lu, C.; Honda, K.; Fujitsuka, M.

J. Phys. Chem. A 2024, 128, 9869-9875.

DOI:10.1021/acs.jpca.4c05189

Cyclometalated Pt(II) Complex Appending a Pyridyl Ligand with a Benzothienobenzothiophene (BTBT) Unit: Synthesis, Photophysical Properties, and an Unusual Shift of Centered Ligands in Excited States

Tahara, K.; Kobayashi, A.; Fujitsuka, M.; Osakada, Y.; Tokunaga, K.; Ikeda, T.; Abe, M.

Organometallics 2023, 43, 840-848.

DOI:10.1021/acs.organomet.4c00019

Sequential C−F Bond Transformation of the Difluoromethylene Unit in Perfluoroalkyl Groups: A Combination of Fine-Tuned Phenothiazine Photoredox Catalyst and Lewis Acid

Sugihara, N.; Nishimoto, Y.; Osakada, Y.; Fujitsuka, M.; Abe, M.; Yasuda, M.

Angew. Chem. Int. Ed. 2024, e202401117.

DOI:10.1002/anie.202401117

Electron beam-induced white emission from iridium complexes-doped polymer dots

Liu, Z.; Su, Z.; Asanuma, D.; Tojo, S.; Yamaji, M.; Fujitsuka, M.; Osakada, Y.

Photochemical % Photobiological Sciences 2024, 23, 329-338.

DOI:10.1007/s43630-023-00520-3

Supramolecular nanosheet formation-induced photosensitisation mechanism change of Rose Bengal dye in aqueous media

Bunno, A.; Shigemitsu, H.; Yoshikawa, A.; Osakada, Y.; Fujitsuka, M.; Ishiwari, F.; Saeki, A.; Ohkubo, K.; Mori, T.; Kida, T.

Che. Commun. 2024, 60, 889-892.

DOI:10.1039/D3CC05731C

Red-light Emitting Orthogonally Trireactive Gold Nanoclusters for the Synthesis of Multifunctionalized Nanomaterials

Watanabe, K.; Uetake, Y.; Hata, M.; Kuwano, A.; Yamamoto, R.; Yamamoto, Y.; Kodera, M.; Kitagishi, H.; Niwa, T.; Hosoya, T.

Small 2024, 2408747,

DOI:10.1002/smll.202408747

Post-functionalization of alternating π-conjugated copolymers containing fluorene moieties via anodic chlorination using AlCl3

Kurioka, T.; Tomita, I.; Inagi, S.

Polymer Journal 2024, 56, 1117-1127.

DOI:10.1038/s41428-024-00958-x

Total Synthesis of Euphorbialoid A

Taguchi, J.; Fukaya, S.; Fujino, H.; Inoue, M.

J. Am. Chem. Soc. 2022, XXX, XXX.

DOI:10.1021/jacs.4c14520

Low-Temperature Borylation of C(sp3)–O Bonds of Alkyl Ethers by Gold–Metal Oxide Cooperative Catalysis

Nishio, H.; Miura, H.; Shishido, T.

J. Am. Chem. Soc. 2022, XXX, XXX.

DOI:10.1021/jacs.4c13003

Formation and reactivity of electrogenerated lewis acids by oxidation of Bu4NB(C6F5)4 under weakly coordinating conditions

Akiba, I.; Shida, N.; Atobe, M.

Electrochimica Acta 2024, 508, 145261.

DOI:10.1016/j.electacta.2024.145261

Efficient catalytic direct C–H hydroxylation of benzene by graphite-supported μ-nitrido-bridged iron phthalocyanine dimer

Yamada, Y.; Uno, Y.; Teoh, C.-M.; Ohkita, H.; Toyoda, Y.; Sakata, A.; Hitomi, Y.; Tanaka, K.

Catal. Sci. Technol. 2024, 14, 4854-4859.

DOI:10.1039/D4CY00661E

Exceptionally Short Tetracoordinated Carbon–Halogen Bonds in Hexafluorodihalocubanes

Sugiyama, M.; Uetake, Y.; Miyagi, N.; Yoshida, M.; Nozaki, K.; Okazoe, T.; Akiyama, M.

J. Am. Chem. Soc. 2024, XXX, XXX.

DOI:10.1021/jacs.4c12732

Electrocatalytic Hydrogenation of Pyridines and Other Nitrogen-Containing Aromatic Compounds

Shida, N.; Shimizu, Y.; Yonezawa, A.; Harada, J.; Furutani, J.; Muto, Y.; Kurihara, R.;Kondo, J. N.; Sato, E.; Mitsudo, K.; Suga, S.; Iguchi, S.; Kamiya, K.; Atobe, M.

J. Am. Chem. Soc. 2024, XXX, XXX.

DOI:10.1021/jacs.4c09107

Electrochemical Amide Bond Formation via Chemoselective Oxidation of Hemiaminals with Gold Electrocatalyst

Sato, J.; Fujita, M.; Shida, N.; Atobe, M

ACE Electrochem. 2024, XXX, XXX.

DOI:10.1021/acselectrochem.4c00011

(PNCP)Ir vs (PNNP)Ir: Neutral Iridium Complex for Direct Hydrogenation of Carboxylic Acids

Nishimoto, K.; Noto, N.; Kametani, Y.; Grømer, B.; Murata, C.; Okuwa, H.; Shiota, Y.; Yoshizawa, K.; Saito, S.

Organometallics 2024, XXX, XXX.

DOI:10.1021/acs.organomet.4c00355

PdPt/SrTiO3:Al-catalysed redox-selective photoreduction of unsaturated carboxylic acids using minimal electron-donor and water

Mori, S.; Movahed, F. S.; Xue, S.; Sakai, Y.; Lu, D.; Hisatomi, T.; Domen, K.; Saito, S.

Chem. Commun. 2024, XXX, XXX.

DOI:10.1039/D4CC03791J

Ferrocenyl PNNP Ligands-Controlled Chromium Complex-Catalyzed Photocatalytic Reduction of CO2 to Formic Acid

Wakabayashi, T.; Kametani, Y.; Tanahashi, E.; Shiota, Y.; Yoshizawa, K.; Jung, J.; Saito, S.

J. Am. Chem. Soc. 2021, 146, 25963.

DOI:10.1021/jacs.4c03683

Mechanochemical nitrogen fixation catalysed by molybdenum complexes

Suginome, S.; Murota, K.; Yamamoto, A.; Yoshida, J.; Nishibayashi, Y.

Nat. Synth. 2022, XXX, XXX.

DOI:10.1038/s44160-024-00661-y

Synthesis of Molybdenum Complexes Bearing Pyridine-Based PNP-Type Pincer Ligands with Pendent Pyridyl Unit and Their Catalytic Activity for Ammonia Formation

Yamazaki, Y.; Nakaya, K.; Nishibayashi, Y.

Organometallics 2022, XXX, XXX.

DOI:10.1021/acs.organomet.4c00290

Synthesis and Reactivity of Iron-Oxocyclohexadienyl Complexes toward Proton-Coupled Electron Transfer

Kuriyama, S.; Zhang, Y.; Tanaka, H.; Konomi, A.; Egi, A.; Yoshizawa, K.; Nishibayashi, Y.

Organometallics 2024, XXX, XXX.

DOI:10.1021/acs.organomet.4c00286

Stereoselective Synthesis of C-Aryl-α-Glycosides by Reductive C(sp2)–C(sp3) Cross-Coupling Reaction

Kudo, N.; Chiba, S.; Ono, S.; Nagatoishi, M.; Yoritate, M.; Karasawa, S.; Usui, K.; Hirai , G.

Synlett 2024, 35,

DOI:10.1055/a-2352-4760

Linkage-Editing of Melibiosamine: Synthesis and Biological Evaluation of CH2- and CHF-Linked Analogs

Moritsuka, N.; Kiya, N.; Moriyama, T.; Koshino, H.; Yoritate, M.; Matoba, H.; Hirai, G.

J. Org. Chem. 2024, 89, 11909.

DOI:10.1021/acs.joc.4c01143

Direct arylation of alkyl fluorides using in situ mechanochemically generated calcium-based heavy Grignard reagents

Gao, P.; Jiang, J.; Fukuzawa, Y.; Maeda, S.; Kubota, K.; Ito, H.

RSC Mechanichem. 2024, XXX, XXX.

DOI:10.1039/D4MR00067F

Mechanochemical Generation of Aryl Barium Nucleophiles from Unactivated Barium Metal

Kubota, K.; Kawamura, S.; Jiang, J.; Maeda, S.; Ito H

Chem. Sci. 2024, XXX, XXX.

DOI:10.1039/D4SC05361C

Deoxygenative Geminal Silylboration of Amides Using Silylboronates: Synthesis and Use of α-Boryl-α-Silylalkylamines

Watanabe, K.; Nagao, K.; Ohmiya, H.

Angew. Chem. Int. Ed. 2024, e202411990.

DOI:10.1002/anie.202411990

Stereoselective Hydroxyallylation of Cyclopropenes with Cyclopropanols via NHC Catalysis of Transient Organozinc Species

Tsukiji, K.; Matsumoto, A; Kanemoto, K.; Yoshikai, N.

Angew. Chem. Ine. Ed. 2024, e202412456.

DOI:10.1002/anie.202412456

Concise Synthesis of Cyctetryptomycin A and B Enabled by Zr-Catalyzed Dimerization

Yu, L.; Ogawa, H.; Li, S.; Cheung, T. L.; Liu, W.; Yan, D.; Matsuda, Y.; Kobayashi, Y.; Guo, Z.; Ikeda, K.; Hamlin, T. A; Yamazaki, K.; Qian, P.-Y.; Nakamura, H.

Angew. Chem. Int. Ed. 2024, e202414295.

DOI:10.1002/anie.202414295

Zwitterionic Acridinium Amidate: A Nitrogen-Centered Radical Catalyst for Photoinduced Direct Hydrogen Atom Transfer

Entgelmeier, L.-M.; Mori, S.; Sendo, S.; Yamaguchi, R.; Suzuki, R.; Yanai, T.; Mancheño, O. G.; Ohmatsu, K.; Ooi, T.

Angew. Chem. Int. Ed. 2024, e2024048890.

DOI:10.1002/anie.202404890

Resorcinol–Azodianiline Covalent Organic Framework Supported FeOOH Quantum Dot-Catalyzed Electrochemical Ammonia Synthesis under Ambient Conditions

Shekhar, P.; Kosugi, K.; Singh, H. D.; Kushwaha, R.; Rase, D.; Matsuzaki, T.; Jain, C.; Singh, P.; Singh, Y.; Vinod, C. P.; Kondo, M.; Masaoka, S.; Vaidhyanathan, R.

Chem. Mater. 2024, XXX, XXX.

DOI:10.1021/acs.chemmater.4c00859

Optimization of Metal–Support Cooperation for Boosting the Performance of Supported Gold Catalysts for the Borylation of C–O and C–N Bonds

Miura, H.; Imoto, K.; Nishio, H.; Junkaew, A.; Tsunesada, Y.; Fukuta, Y.; Ehara, M.; Shishido, T.

J. Am. Chem. Soc. 2024, XXX, XXX.

DOI:10.1021/jacs.4c08340

Conversion of Phorbol into Des-D-Ring Tricycle and Crotonianoid B via Peroxidation Reaction

Watanabe, A.; Hikone, Y.; Nagatomo, M.; Inoue, M.

Org. Lett. 2024, 26, 4335.

DOI:10.1021/acs.orglett.4c01363

Generation and Coupling of Radical Species from α-Alkoxy Bridgehead Carboxylic Acid, Selenide, Telluride, Acyl Selenide, and Acyl Telluride

Kato, T.; Hagiwara, K.; Inoue, M.

Chem. Pharm. Bull. 2024, 8, 767.

DOI:10.1248/cpb.c24-00441

Et3Al/Light-Promoted Radical-Polar Crossover Reactions of α-Alkoxyacyl Tellurides

Yamada, Y.; Yoshinaga, R.; Matsui, Y.; Nagatomo, M.; Fujino, H.; Inoue, M.

J. Org. Chem. 2024, 89, 11701.

DOI:10.1021/acs.joc.4c01445

Oxidative and Reductive Manipulation of C1 Resources by Bio-Inspired Molecular Catalysts to Produce Value-Added Chemicals

Ishizuka, T.; Kojima, T.

Acc. Chem. Res. 2024, XXX, XXX.

DOI:10.1021/acs.accounts.4c00390

Photocatalytic Three-Component Acylcarboxylation of Alkenes with CO2

Watanabe, T.; Lorwongkamol, P.; Saga, Y.; Kosugi, K.; Kambe, T.; Kondo, M.; Masaoka, S.

Org. Lett. 2024, XXX, XXX.

DOI:10.1021/acs.orglett.4c02295

Photocatalytic carbyne reactivity of phosphorus ylides for three-component formal cycloaddition reactions

Suzuki, R; Ando, T.; Deufel, F.; Ohmatsu, K.; Ooi, T.

Nat. Synth. 2024, XXX, XXX.

DOI:10.1038/s44160-024-00612-7

Radical C-Glycosylation Using Photoexcitable Unprotected Glycosyl Borate

Miyamoto, Y.; Murakami, S.; Sumida, Y.; Hirai, G.; Ohmiya, H.

Chem. Eir. J. 2024, e202402256.

DOI:10.1002/chem.202402256

Iridium-catalysed synthesis of C,N,N-cyclic azomethine imines enables entry to unexplored nitrogen-rich 3D chemical space

Almehmadi, Y. A.; McGeehan, J.; Guzman, N. J.; Christensen, K. E.; Yamazaki, K.; Dixon, D. J.

Nat. Synth. 2024, XXX, XXX.

DOI:10.1038/s44160-024-00574-w

p-Diarylboryl Halothiophenols as Multifunctional Catalysts via Photoactive Intramolecular Frustrated Lewis Pairs

Kikura, T.; Taura, Y.; Aramaki, Y.; Ooi, T.

J. Am. Chem. Soc. 2024, XXX, XXX.

DOI:10.1021/jacs.4c06122

Precise Manipulation of Electron Transfers in Clustered Five Redox Sites

Izu, H.; Kondo, M.; Okamura, M.; Tomoda, M.; Lee, S. K.; Akai, T.; Praneeth, V. K. K.; Kanaike, M.; Kawata, S.; Masaoka, S.

Angew. Chem. Int. Ed. 2024, e202408514.

DOI:10.1002/anie.202408514

Multielectron Reduction of Esters by a Diazabenzacenaphthenium Photoredox Catalyst

Okumura, S.; Hattori, S.; Fang, L.; Uozumi, Y.

J. Am. Chem. Soc. 2024, 146, 16990.

DOI:10.1021/jacs.4c05272

Boron-Catalyzed Michael Reaction of Donor–Acceptor Carboxylic Acid Pairs Enabling Direct Synthesis of 1,5-Dicarboxylic Acids

Yoshida, Y.; Sawamura, M.; Shimizu, Y.

Org. Lett. 2024, XXX, XXX.

DOI:10.1021/acs.orglett.4c01542

Dearomative Construction of 2D/3D Frameworks from Quinolines via Nucleophilic Addition/Borate-Mediated Photocycloaddition

Shimose, A.; Ishigaki, S.; Sato, Y.; Nogami, J.; Toriumi, N.; Uchiyama, M.; Tanaka, K; Nagashima, Y.

Angew. Chem. Int. Ed. 2024, e202403461.

DOI:10.1002/anie.202403461

Electrocatalytic Oxidation of Primary Alcohols at the Triple-Phase Boundary in an Anion-Exchange Membrane Reactor with Nickel, Cobalt, and Iron Catalysts

Furutani, Y.; Shimizu, Y.; Harada, J.; Muto, Y.; Yonezawa, A.; Iguchi, S.; Shida, N.; Atobe, M.

ACS Catal. 2024, 14, 8922.

DOI:10.1021/acscatal.4c01097

Unimolecular Chemiexcited Oxygenation of Pathogenic Amyloids

Umeda, H.; Suda, K.; Yokogawa, D.; Azumaya, Y.; Kitada, N.; Maki, S. A.; Kawashima, S. A.; Mitsunuma, H.; Yamanashi, Y.; Kanai, M.

Angew. Chem. Int. Ed. 2024, e202405605.

DOI:10.1002/anie.202405605

Leuco Ethyl Violet as Self-Activating Prodrug Photocatalyst for In Vivo Amyloid-Selective Oxygenation

Furuta, M.; Arii, S.; Umeda, H.; Matsukawa, R.; Shizu, K.; Kaji, H.; Kawashima, S. A.; Hori, Y.; Tomita, T.; Shoma, Y.; Mitsunuma, H.; Kanai, M

Adv. Sci. 2024, 2401346.

DOI:10.1002/advs.202401346

Additive-controlled chemoselective inter-/intramolecular hydroamination via electrochemical PCET process

Okamoto, K.; Shida, N.; Atobe, M.

Beilstein J. Org. Chem. 2024, 20, 264.

DOI:10.3762/bjoc.20.27

ElectrochemicalC(sp3)H FunctionalizationUsingAceticAcidas a HydrogenAtomTransferReagent

Morii, Y.; Watanabe, T.; Saga, Y.; Kambe, T.; Kondo, M.; Masaoka, S.

ChemElectroChem 2024, 11, e202400061.

DOI:10.1002/celc.202400061

Electrochemical Postfunctionalization of Thiophene–Fluorene Alternating Copolymers via Anodic C–H Phosphonylation

Taniguchi, K.; Kurioka, T.; Sato, K.; Tomita, I.; Inagi, S.

Macromolecules 2024, XXX, XXX.

DOI:10.1021/acs.macromol.4c00465

γ-Amino C(sp3)–H Functionalization of Aliphatic Amines through a Light-Driven Triple Catalysis

Nakagawa, M.; Nagao, K.; Ohmiya, H.

ACS Catal. 2024, 14, 8005.

DOI:10.1021/acscatal.4c02004

Use of Aliphatic Carboxylic Acid Derivatives for NHC/Photoredox-Catalyzed meta-Selective Acylation of Electron-Rich Arenes

Goto, Y.; Murakami, S.; Sumida, Y.; Ohmiya, H.

Synthesis 2024, 56, A-G.

DOI:10.1055/a-2281-2975

Catalytic 1,1-Cyanoalkylation of Electron-Deficient Olefins

Ohmatsu, K.; Truong, D. A.; Morita, S.; Maruoka, K.; Ooi, T.

Org. Lett. 2024, XXX, XXX.

DOI:10.1021/acs.orglett.4c00866

Selective Hydrogenation of Aldehydes under Syngas Using CeO2-Supported Au Nanoparticle Catalyst

Shirayama, K.; Jin, X.; Nozaki, K.

J. Am. Chem. Soc. 2024, XXX, XXX.

DOI:10.1021/jacs.4c02531

Photocatalytic CO2 Reduction Using an Osmium Complex as a Panchromatic Self-Photosensitized Catalyst: Utilization of Blue, Green, and Red Light

Kamada, K ; Jung, J.; Yamada, C.; Wakabayashi, T.; Sekizawa, K.; Sato, S.; Morikawa, T.; Fukuzumi S.; Saito, S

Angew. Chem. Int. Ed. 2024, XXX, XXX.

DOI:10.1021/anie.2024038886

Hydrogen-Induced Formation of Surface Acid Sites on Pt/Al(PO3)3 Enables Remarkably Efficient Hydrogenolysis of C−O Bonds in Alcohols and Ethers

Oshida, K.; Yuan, K.; Yamazaki, Y.; Tsukimura, R.; Nishio, J.; Nomoto, K.; Miura, H.; Shishido, T.; Jin, X.; Nozaki, K.

Angew. Chem. Int. Ed. 2024, XXX, XXX.

DOI:10.1002/anie.202403092

Selective Oxidation of Hydrocarbons by Molecular Iron Catalysts Based on Molecular Recognition through π–π Interaction in Aqueous Medium

Fujisaki, H.; Ishizuka, T.; Kotani, H.; Kojima, T.

ACS Catal. 2024, 2609-2619.

DOI:10.1021/acscatal.3c05118

A Dual Cobalt and Photoredox Catalysis for Hydrohalogenation of Alkenes

Shibutani, S.; Nagao, K.; Ohmiya, H.

J. Am. Chem. Soc. 2024, XXX, XXX.

DOI:10.1021/jacs.3c10133

Linkage-Editing Pseudo-Glycans: A Reductive α-Fluorovinyl-C-Glycosylation Strategy to Create Glycan Analogs with Altered Biological Activities

Moriyama, T.; Yoritate, M.; Kato, N.; Saika, A.; Kusuhara, W.; Ono, S.; Nagatake, T.; Koshino, H.; Kiya, N.; Moritsuka, N.; et al.

J. Am. Chem. Soc. 2024, 146, 2237-2247.

DOI:10.1021/jacs.3c12581