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Density-Functional Tight-Binding Combined with the Fragment Molecular Orbital Method
Yoshio Nishimoto, Dmitri G. Fedorov,* and Stephan Irle*
J. Chem. Theory Comput. 10, 4801-4812 (2014)
DOI: 10.1021/ct500489d -
Traceless Preparation of C-Terminal a-Ketoacids for Chemical Protein Synthesis by a-Ketoacid-Hydroxylamine Ligation: Synthesis of SUMO2/3**
Thomas G.Wucherpfennig, Vijaya R. Pattabiraman, Felix R. P. Limberg, Javier Ruiz-Rodr guez, and Jeffrey W. Bode*
Angew. Chem. Int. Ed. 53, 12248 -12252 (2014)
DOI: 10.1002/anie.201407014 -
Formation and Rearrangement of Homoserine Depsipeptides and Depsiproteins in the a-Ketoacid-Hydroxylamine Ligation with 5-Oxaproline
Thomas G. Wucherpfennig, Florian Rohrbacher, Vijaya R. Pattabiraman, and Jeffrey W. Bode*
Angew. Chem. Int. Ed. 53, 12244 -12247 (2014)
DOI: 10.1002/anie.201406097 -
Live cell off-target identification of lapatinib using ligand-directed tosyl chemistry
Kei Yamaura, Keiko Kuwata, Tomonori Tamura, Yoshiyuki Kioi, Yousuke Takaoka, Shigeki Kiyonaka and Itaru Hamachi*
Chem. Commun., 50, 14097-14100 (2014)
DOI: 10.1039/c4cc05885b -
Different Sets of ER-Resident J-Proteins Regulate Distinct Polar Nuclear-Membrane Fusion Events in Arabidopsis thaliana
Daisuke Maruyama, Masaya Yamamoto, Toshiya Endo and Shuh-ichi Nishikawa*
Plant Cell Physiol. 55, 1937-1944 (2014)
DOI: 10.1093/pcp/pcu120 -
Chiral Periodic Mesoporous Organosilicas: Probing Chiral Induction in the Solid State
Michael W. A. MacLean, Thomas K. Wood, Gang Wu, Robert P. Lemieux, and Cathleen M. Crudden*
Chem. Mater. 26, 5852-5859 (2014)
DOI: 10.1021/cm501826b -
Enantioselective protonation of a-hetero carboxylic acid-derived ketene disilyl acetals under chiral ionic Bronsted acid catalysis
Daisuke Uraguchi, Tomohito Kizu, Yuki Ohira and Takashi Ooi*
Chem. Commun. 50, 13489-13491 (2014)
DOI: 10.1039/c4cc06081d -
Multiple Roles of the Plasma Membrane H+-ATPase and Its Regulation
Yin Wang*, Ken-ichiro Shimazaki, Toshinori Kinoshita
The Enzymes, 35, 191-211 (2014)
DOI: 10.1016/B978-0-12-801922-1.00008-7 -
Critical interpretation of CH- and OH- stretching regions for infrared spectra of methanol clusters (CH3OH) n (n = 2-5) using self-consistent-charge density functional tight-binding molecular dynamics simulations
Yoshifumi Nishimura, Yuan-Pern Lee, Stephan Irle, and Henryk A. Witek
J. Chem. Phys. 141, 94303 (2014)
DOI: 10.1063/1.4893952 -
Synthetic fermentation of bioactive non-ribosomal peptides without organisms, enzymes or reagents
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Direct evidence of active and inactive phases of Fe catalyst nanoparticles for carbon nanotube formation
Stefano Mazzucco, Ying Wang, Mihaela Tanase, Matthieu Picher, Kai Li, Zhijian Wu, Stephan Irle, Renu Sharma
Journal of Catalysis 319, 54-60 (2014)
DOI: 10.1016/j.jcat.2014.07.023 -
β Selective C H Arylation of Pyrroles Leading to Concise Syntheses of Lamellarins C and I
Kirika Ueda, Kazuma Amaike, Richard M. Maceiczyk, Kenichiro Itami,* and Junichiro Yamaguchi*
J. Am. Chem. Soc. 136, 13226-13232 (2014)
DOI: 10.1021/ja508449y -
Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models
Puja Goyal, Hu-Jun Qian, Stephan Irle, Xiya Lu, Daniel Roston, Toshifumi Mori, Marcus Elstner, and Qiang Cui*
J. Phys. Chem. B 118, 11007-11027 (2014)
DOI: 10.1021/jp503372v -
Photodissociation of B N Lewis Adducts: A Partially Fused Trinaphthylborane with Dual Fluorescence
Kyohei Matsuo, Shohei Saito, and Shigehiro Yamaguchi*
J. Am. Chem. Soc. 136, 12580-12583 (2014)
DOI: 10.1021/ja506980p -
Mg-chelatase I subunit 1 and Mg-protoporphyrin IX methyltransferase affect the stomatal aperture in Arabidopsis thaliana
Masakazu Tomiyama, Shin-ichiro Inoue, Tomo Tsuzuki, Midori Soda, Sayuri Morimoto, Yukiko Okigaki, Takaya Ohishi, Nobuyoshi Mochizuki, Koji Takahashi, Toshinori Kinoshita
J Plant Res 127, 553-563 (2014)
DOI: 10.1007/s10265-014-0636-0 -
Live imaging of calcium spikes during double fertilization in Arabidopsis
Yuki Hamamura, Moe Nishimaki, Hidenori Takeuchi, Anja Geitmann, Daisuke Kurihara & Tetsuya Higashiyama
Nature Communications 5, Article number:4722, 1-9 (2014)
DOI: 10.1038/ncomms5722 -
LDAI-Based Chemical Labeling of Intact Membrane Proteins and Its Pulse-Chase Analysis under Live Cell Conditions
Takayuki Miki, Sho-hei Fujishima, Kazuhiro Komatsu, Keiko Kuwata, Shigeki Kiyonaka, and Itaru Hamachi*
Chemistry & Biology 21, 1013-1022 (2014)
DOI: 10.1016/j.chembiol.2014.07.013 -
Quantum Dynamics Simulations Reveal Vibronic Effects on the Optical Properties of [n]Cycloparaphenylenes
V. Sivaranjana Reddy,* Cristopher Camacho, Jianlong Xia, Ramesh Jasti, and Stephan Irle*
J. Chem. Theory Comput. 10, 4025-4036 (2014)
DOI: 10.1021/ct500524y -
Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR study
Pharit Kamsri, Auradee Punkvang, Patchareenart Saparpakorn, Supa Hannongbua, Stephan Irle, Pornpan Pungpo
J Mol Model 20, 2319 (2014)
DOI: 10.1007/s00894-014-2319-0 -
Branch-Selective Allylic C H Carboxylation of Terminal Alkenes by Pd/sox Catalyst
Hiroki Kondo, Feng Yu, Junichiro Yamaguchi, Guosheng Liu,* and Kenichiro Itami*
Org. Lett. 16, 4212-4215 (2014)
DOI: 10.1021/ol5019135 -
Highly selective directed arylation reactions via back-to-back dehydrogenative C-H borylation/arylation reactions
Eric C. Keske, Brandon D. Moore, Olena V. Zenkina, Ruiyao Wang, Gabriele Schatte and Cathleen M. Crudden*
Chem. Commun., 50, 9883 (2014)
DOI: 10.1039/c4cc02499k -
Intrinsic photosensitivity of a deep brain photoreceptor
Yusuke Nakane, Tsuyoshi Shimmura, Hideki Abe and Takashi Yoshimura
Curr Biol 24, R596-597 (2014)
DOI: 10.1016/j.cub.2014.05.038 -
A Strap Strategy for Construction of an Excited-State Intramolecular Proton Transfer (ESIPT) System with Dual Fluorescence
Naoya Suzuki, Aiko Fukazawa, Kazuhiko Nagura, Shohei Saito, Hirotaka Kitoh-Nishioka, Daisuke Yokogawa, Stephan Irle,* and Shigehiro Yamaguchi*
Angew. Chem. Int. Ed. 53, 8231-8235 (2014)
DOI: 10.1002/anie.201404867 -
Super-Reduced Polyoxometalates: Excellent Molecular Cluster Battery Components and Semipermeable Molecular Capacitors
Yoshio Nishimoto, Daisuke Yokogawa, Hirofumi Yoshikawa, Kunio Awaga, and Stephan Irle*
J. Am. Chem. Soc. 136, 9042-9052 (2014)
DOI: 10.1021/ja5032369 -
An EAR-Dependent Regulatory Module Promotes Male Germ Cell Division and Sperm Fertility in Arabidopsis
Michael Borg, Nicholas Rutley, Sateesh Kagale, Yuki Hamamura, Mihai Gherghinoiu, Sanjeev Kumar, Ugur Sari, Manuel A. Esparza-Franco, Wataru Sakamoto, Kevin Rozwadowski, Tetsuya Higashiyama, and David Twell
The Plant Cell, 26, 2098-2113 (2014)
DOI: 10.1105/tpc.114.124743 -
Theoretical study of cellobiose hydrolysis to glucose in ionic liquids
Yoshifumi Nishimura, Daisuke Yokogawa, Stephan Irle
Chemical Physics Letters 603, 7-12 (2014)
DOI: 10.1016/j.cplett.2014.04.014 -
Dearomatization-Induced Transannular Cyclization: Synthesis of Electron-Accepting Thiophene S,S Dioxide-Fused Biphenylene
Aiko Fukazawa,* Hiroya Oshima, Soji Shimizu, Nagao Kobayashi, and Shigehiro Yamaguchi*
J. Am. Chem. Soc. 136, 8738-8745 (2014)
DOI: 10.1021/ja503499n -
Heterotriangulenes π Expanded at Bridging Positions
Chih-Ming Chou, Shohei Saito, and Shigehiro Yamaguchi*
Org. Lett. 16, 2868-2871 (2014)
DOI: 10.1021/ol501004g -
Universality and diversity in the signal transduction pathway that regulates seasonal reproduction in vertebrates
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Nickel-Catalyzed α-Arylation of Ketones with Phenol Derivatives
Ryosuke Takise, Kei Muto, Junichiro Yamaguchi,* and Kenichiro Itami*
Angew. Chem. Int. Ed. 53, 6791-6794 (2014)
DOI: 10.1002/anie.201403823
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