Search Results 1-20 of 881

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Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex

Kurogi Takashi , Kuroki Kaito , Moritani Shunsuke , Takai Kazuhiko

… The X-ray diffraction study displayed a dinuclear methylene structure [TiCl(tmeda)](2)(mu-CH2)(mu-Cl)(2). …

Chemical science 12(10), 3509-3515, 2021-01-19

IR
2

Self-Assembly Mechanism in Nucleation Processes of Molecular Crystalline Materials

Harano Koji

… Over the last decade, we focused on the mechanism of crystal nucleation, which is the initial step of crystallization—it plays a critical role in determining the crystal structure. … Statistical information on the size and structure of the individual prenucleation clusters, which cannot be investigated by conventional analytical methods, allowed us to study how the nucleating crystals acquire order and dimensionality in the nucleation process. …

Bulletin of the Chemical Society of Japan 94(2), 463-472, 2021

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Chemical Constituents from the Branches and Leaves of Alchornea trewioides

Phan Nguyen Huu Toan , Thuan Nguyen Thi Dieu , Duyen Nguyen Huu Huong , Hanh Tran Thi Hong , Quang Tran Hong , Cuong Nguyen Xuan , Nam Nguyen Hoai

… The structure elucidation was confirmed by extensive analysis of the one and two dimensional (1 and 2D) NMR, electronic circular dichroism (ECD) as well as high resolution electrospray ionization quadrupole time-of-flight (HR-ESI-QTOF) mass spectra. …

Chemical and Pharmaceutical Bulletin 69(1), 150-154, 2021

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4

Four New Pregnane-10,2-carbolactones from an Epipolasis sp. Marine Sponge

Kang Unwoo , Wang Dongdong , Bokesch Heidi R. , Gustafson Kirk R.

Four new pregnane steroids, 3β,4β,16β-trihydroxypregna-5,17-diene-10,2-carbolactone (1), 16β-acetoxy-3β,4β-dihydroxypregna-5,17-diene-10,2-carbolactone (2 …

Chemical and Pharmaceutical Bulletin 69(1), 48-51, 2021

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5

An Isoform-Selective Modulator of Cryptochrome 1 Regulates Circadian Rhythms in Mammals

Miller Simon , Aikawa Yoshiki , Sugiyama Akiko , Nagai Yoshiko , Hara Aya , Oshima Tsuyoshi , Amaike Kazuma , Kay Steve A. , Itami Kenichiro , Hirota Tsuyoshi

ファイル公開：2021-09-17

Cell Chemical Biology 27(9), 1192-1198.e5, 2020-09-17

IR
6

Elucidation of flow characteristics in honeycomb structure to design nanobubble generating apparatus

Noda Nao-Aki , Zhai Hongfang , Takata Kakeru , Sano Yoshikazu , Takase Yasushi , Ren Fei , Kawano Ryo , Umekaga Toshihiko , Yonezawa Yuji , Tanaka Hiroyuki

… Bubble size distributions in the honeycomb structure under different inlet absolute pressure can be predicted by the PBM. …

Chemical Engineering & Technology 43(6), 1176-1185, 2020-01-17

IR
7

NMR Crystallography [in Japanese]

Nishiyama Yusuke

回折法と固体NMRを有機的に組み合わせるNMR crystallographyのアプローチおよびその基盤技術（microED，固体NMR，量子化学計算）の概略を紹介する．低分子医薬品における塩・共結晶問題への明瞭な解決策を提案する．microEDとの組み合わせは特に有効であり，微細な単結晶（1 μm以下）から水素原子位置も含めて結晶構造を解くことができる．

KENBIKYO 55(3), 152-155, 2020

J-STAGE Ichushi Web
8

Elucidation of prazosin biodegradation by isolated Bacillus spp. from the tropical environment

Mohd Mohsi Nur'Aqilah Farhanah , Apandi Atiqqoh , Megat Mohd Noor Megat Johari , MD Akhir Fazrena Nadia , Sugiura Norio , Utsumi Motoo , Othman Nor'azizi , Zakaria Zuriati , Hara Hirofumi

… Two metabolites degraded from PRZ by STP3 were successfully found, and as these metabolites are derived from the main structure of PRZ, their presence proved PRZ degradation. …

The Journal of General and Applied Microbiology 66(1), 8-14, 2020

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9

Degradation Pathway of a Taxane Derivative DS80100717 Drug Substance and Drug Product

Tamura Kousuke , Ono Makoto , Kawabe Takefumi , Ohara Motomu , Yonemochi Etsuo

… The chemical structures of eight degradants of DS80100717 were elucidated using MS and NMR. …

Chemical and Pharmaceutical Bulletin 68(4), 392-397, 2020

J-STAGE Ichushi Web
10

Elucidation of Biological Mechanisms Using Synthetic Natural Products and Their Derivatives [in Japanese]

Inuki Shinsuke

… On the basis of rational designs, synthetic studies, and chemical modifications, natural products need to be optimized to more potent compounds with improved activities, selectivities and/or physical properties. … We have been synthesizing natural products and their derivatives for the elucidation of their biological mechanisms and discovery of drug leads. … 2) identification of novel sphingosine kinase inhibitors through a structure-activity relationship study of jaspine B; …

YAKUGAKU ZASSHI 140(4), 455-470, 2020

IR J-STAGE Ichushi Web
11

Molecular Basis of Mannose Recognition by Pradimicins and their Application to Microbial Cell Surface Imaging

Nakagawa Yu , Doi Takashi , Takegoshi K. , Sugahara Takahiro , Akase Dai , Aida Misako , Tsuzuki Kazue , Watanabe Yasunori , Tomura Tomohiko , Ojika Makoto , Igarashi Yasuhiro , Hashizume Daisuke , Ito Yukishige

ファイル公開：2020-07-18

Cell Chemical Biology 26(7), 950-959, 2019-07-18

IR
12

Structural elucidation of a novel lipooligosaccharide from the Antarctic bacterium OMVs producer Shewanella sp. HM13

Casillo Angela , Di Guida Rossella , Carillo Sara , Chen Chen , Kamasaka Kouhei , Kawamoto Jun , Kurihara Tatsuo , Corsaro Maria

… The aim of this study was to investigate the structure of the oligosaccharide (OS) isolated from Shewanella sp. … The obtained OS was analyzed completely, and the composition of fatty acids was obtained by chemical methods. …

Marine Drugs 17(1), 2019-01

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13

Propagating Wave by Coherent Motion of Inorganic Nanosheets [in Japanese]

Sano Koki , Ishida Yasuhiro , Aya Satoshi , Araoka Fumito , Ebina Yasuo , Sasaki Takayoshi , Aida Takuzo

… During the course of our studies, we found that the nanosheets, dispersed in water, become to form a monodomain lamellar structure by the application of a strong magnetic field. … Here, we report that such a monodomain structure generates a unidirectionally propagating wave upon a chemical perturbation. … The characterization of wave structure, elucidation of its formation mechanism, and its application will be discussed. …

Proceedings of Japanese Liquid Crystal Society Annual meeting 2019(0), 1A05, 2019

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14

Elucidation of the Role of Ca2+ in the Formation of an RNA Aptamer/Human Immunoglobulin G Complex Using Molecular Dynamics Simulation [in Japanese]

ISHII Seiichiro , SEKIGUCHI Masahiro , YOSHIDA Hisae , MASUKAWA Keisuke , ISHIKAWA Takeshi , SAKAMOTO Taiichi , YAMAGISHI Kenji

… ions, the RMSD of the RNA aptamer backbone remained below approximately 3.0 Å from the crystal structure during a 1,500-ns simulation. … The distance between the centroids of the RNA aptamer and IgG was maintained between the centroids in the crystal structure. … ions, the RMSD increased and the structure of the RNA aptamer changed from the initial structure. …

Journal of Computer Chemistry, Japan 18(5), 208-210, 2019

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15

[Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Kimito Funatsu – The Driving Force of Chemoinformatics in Japan

Gasteiger Johann

The achievements of Professor Kimito Funatsu for the development of chemoinformatics in Japan are briefly summarized. Furthermore, some aspects of the collaboration of this author with Kimito Funatsu …

Journal of Computer Aided Chemistry 20(0), 32-34, 2019

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[Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Similarity, Diversity - Chemoinformatics

Varmuza Kurt

On the occasion of honoring Kimito Funatsu with the 2019 Herman Skolnik Award, aspects of similarity, diversity and complexity are mentioned in relation to chemoinformatics, chemometrics, Japan, and p …

Journal of Computer Aided Chemistry 20(0), 29-31, 2019

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17

[Special Issue for Honor Award dedicating to Prof Kimito Funatsu](Mini-review)Meanings of the Honor Award for Prof Kimito Funatsu

Sugimoto Manabu , Hori Kenji , Kanaya Shigehiko

… Prof. Kimito Funatsu received the Honor Award in Division of Chemoinformatics, the Chemical Society of Japan in the 42th Annual Meeting of Chemoinformatics held on Nov. 28th 2019. …

Journal of Computer Aided Chemistry 20(0), 23-28, 2019

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18

Synthesis and Reactions of Carbon Nanohoop

Yamago Shigeru , Kayahara Eiichi

… Despite their intriguing structure and potential applications, the synthesis of structurally uniform carbon nanohoops has been a significant challenge until recently. … Preliminary results on the applications of CPPs in electronic devices and the elucidation of CPP reactivity are also discussed. …

Journal of Synthetic Organic Chemistry, Japan 77(11), 1147-1158, 2019

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19

Discovery of Nuclear Receptor Ligands and Elucidation of Their Mechanisms of Action

Yamamoto Keiko

… To elucidate the mechanism of action of the analogues, we conducted crystal structure analyses of the ligand-binding domain (LBD) of VDR complexed with the analogues. … Antagonist binding to the VDR-LBD structure was elucidated using both crystal structure analysis and in-solution structural analyses with the small-angle X-ray scattering (SAXS)-molecular dynamics (MD) and hydrogen/deuterium exchange coupled with mass spectrometry (HDX-MS) methods. …

Chemical and Pharmaceutical Bulletin 67(7), 609-619, 2019

J-STAGE Ichushi Web
20

Development of Supported NiO Nanocluster for Aerobic Oxidation of 1-Phenylethanol and Elucidation of Reaction Mechanism via X-ray Analysis

Sasaki Takuro , Devred François , Eloy Pierre , Gaigneaux Eric M. , Hara Takayoshi , Shimazu Shogo , Ichikuni Nobuyuki

… Obtained catalysts were characterized through X-ray absorption fine structure (XAFS), X-ray photoelectron spectroscopy (XPS) and in situ … XAFS and XPS gave information about differences in the local structure, chemical state and electronic state of Ni among the different supports. …

Bulletin of the Chemical Society of Japan 92(4), 840-846, 2019

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