2019年7月18日のコンテンツから

きょうのどうぶつ

アゴ乗せ朝青龍こと黒1号。


[読みたい論文] N-ヘテロ環カルベンが結合したシリリウミリデンイオン

https://nanoniele.jp/cgi-bin/archive/nanoniele_archive.pl?c=4546

とても発音しにくいケイ素化合物の合成と構造に関する研究です。講演を聞いてみたい。


計算終わりました


略語を登録しました

ARPS
adaptively restrained particle simulation
LRDMC
lattice-regularized diffusion Monte Carlo
HAQC
heuristically-aided quantum chemistry
DTNN
deep tensor neural network
MHV
murine hepatitis virus
YSR
Yu-Shiba-Rusinov
DIS
directed irradiation synthesis
HBE
human bronchial epithelial
TEC
tissue engineering chamber
FBC
fish bone collagen


注目の記事やプレスリリース

慢性閉塞性肺疾患:COPD(タバコ病)に、有害な鉄による脂質酸化依存的細胞死が深く関与する病態機序を解明
(北里大学)
https://www.kitasato.ac.jp/jp/news/20190717-01.html
省エネルギー技術戦略の重要技術を改定 ―廃熱利用や再エネ主力電源化につながる省エネルギー技術を追加―
(NEDO)
https://www.nedo.go.jp/news/press/AA5_101157.html
遺伝情報・脂質膜・エネルギー供給を備えたオンチップバイオリアクターを開発 ~人工細胞を創り、理解し、役立てる~
(九州大学)
http://www.kyushu-u.ac.jp/f/36546/19_07_18_1.pdf
スマートフォン小型蛍光顕微鏡による高感度デジタルインフルエンザウイルス検出~高感度デジタル計測のPOCT実用化に期待~
(東京大学)
https://www.t.u-tokyo.ac.jp/foe/press/setnws_201907181109221011743325.html
大地震に対する水利施設の挙動の高精度計算を実現 -農業ダムなどの安全性評価に直結する汎用的時間積分スキーム-
(京都大学)
http://www.kyoto-u.ac.jp/ja/research/research_results/2019/190603_1.html
地熱や工場廃熱などの熱源に置くだけ埋めるだけ! 熱エネルギーで直接発電する“増感型熱利用発電”を開発 石油資源に依存せず、天候にも左右されにくい電気エネルギー生成方法で、エネルギー問題の解決に向け一歩前進
(東京工業大学)
https://www.titech.ac.jp/news/2019/044687.html
リン~P 代謝系のスイッチ:酵素(たんぱく質)のリン酸結合
(高純度化学研究所)
https://www.kojundo.blog/nutrition/2151/
単一光子から単一電子スピンへ情報の変換に成功 -長距離量子暗号通信や量子インターネットの基本技術の一つを検証-
(理化学研究所)
http://www.riken.jp/pr/press/2019/20190717_2/


1944年はこんな年

人名反応など

Birch還元 [Doi 1]
Criegee転位

ノーベル化学賞

原子核分裂の発見
(Otto Hahn)

できごと

アスペルガー症候群の確認
東洋光学硝子製造所(HOYA)設立
近畿日本鉄道設立
安田火災海上保険(損害保険ジャパン)設立
東京海上火災保険会社設立
同和火災海上(ニッセイ同和損害保険)設立
東京・名古屋で初の疎開命令
岩手県宮古で豪雪
北海道で大噴火(昭和新山)
東南海地震発生(M7.9)
俳優座結成
宝塚歌劇団休演前最終公演
全国の新聞で夕刊が廃止


オススメ論文

配位高分子 
[Bull. Chem. Soc. Jpn 201992, 1263–1267.] Single Crystal Growth of Two-Dimensional Cyano-Bridged Coordination Polymer of Co(H2O)2Ni(CN)4?·4H2O Using Trisodium Citrate Dihydrate
Azhar, Alowasheeir; Zakaria, Mohamed Barakat; Kim, Jeonghun; Na, Jongbeom; Kaneti, Yusuf Valentino; Fatehmulla, Amanullah; Aldhafiri, Abdullah M.; Farooq, W. Aslam; Bando, Yoshio; Yamauchi, Yusuke; Lin, Jianjian
Tag: CNCNXRSCXRDUCCPXRDSC
https://doi.org/10.1246/bcsj.20190054

トリフルオロメチル化 
[Bull. Chem. Soc. Jpn 201992, 1245–1262.] Fluoroalkylation Methods for Synthesizing Versatile Building Blocks
Kawamura, Shintaro; Sodeoka, Mikiko
Tag: CuEEle-BBC
https://doi.org/10.1246/bcsj.20190080

カーボンナノチューブ 
[ACS Biomater. Sci. Eng. 20195, 3361–3372.] Succinylated Î?-Lactoglobuline-Functionalized Multiwalled Carbon Nanotubes with Improved Colloidal Stability and Biocompatibility
Jain, Sanyog; Dongave, Shesherao M.; Date, Tushar; Kushwah, Varun; Mahajan, Rahul R.; Pujara, Naisarg; Kumeria, Tushar; Popat, Amirali
Tag: NTMWCNTCPEGAbCNTPE
https://doi.org/10.1021/acsbiomaterials.9b00268

自己集合 ナノ結晶 
[Biomacromolecules 201920, 2830–2838.] Controlling the Self-Assembly Behavior of Aqueous Chitin Nanocrystal Suspensions
Narkevicius, Aurimas; Steiner, Lisa M.; Parker, Richard M.; Ogawa, Yu; Frka-Petesic, Bruno; Vignolini, Silvia
Tag: CTLCISNCSA
https://doi.org/10.1021/acs.biomac.9b00589

[Biomacromolecules 201920, 2763–2769.] Synthesis of Various Glycopolymers Bearing Sialyllactose and the Effect of Their Molecular Mobility on Interaction with the Influenza Virus
Nagao, Masanori; Matsubara, Teruhiko; Hoshino, Yu; Sato, Toshinori; Miura, Yoshiko
Tag: HAOTS
https://doi.org/10.1021/acs.biomac.9b00515

自己集合 
[Nano Lett. 201919, 4684–4691.] Role of Defects in Ion Transport in Block Copolymer Electrolytes
Kambe, Yu; Arges, Christopher G.; Czaplewski, David A.; Dolejsi, Moshe; Krishnan, Satya; Stoykovich, Mark P.; Nealey, Paul F.
Tag: IDEP2VPPStDSAVPSAPSTFBCPBCE
https://doi.org/10.1021/acs.nanolett.9b01758

[Nano Lett. 201919, 4659–4665.] Spin-Split Band Hybridization in Graphene Proximitized with α-RuCl3 Nanosheets
Mashhadi, Soudabeh; Kim, Youngwook; Kim, Jeongwoo; Weber, Daniel; Taniguchi, Takashi; Watanabe, Kenji; Park, Noejung; Lotsch, Bettina; Smet, Jurgen H.; Burghard, Marko; Kern, Klaus
Tag: VdWNSIPFmAFIe-DFT
https://doi.org/10.1021/acs.nanolett.9b01691

層状複水酸化物 
[Nano Lett. 201919, 4518–4526.] Interface Modulation of Two-Dimensional Superlattices for Efficient Overall Water Splitting
Xiong, Pan; Zhang, Xiuyun; Wan, Hao; Wang, Shijian; Zhao, Yufei; Zhang, Jinqiang; Zhou, Dong; Gao, Weicheng; Ma, Renzhi; Sasaki, Takayoshi; Wang, Guoxiu
Tag: NSHLDHOOERLDHHEROWSe-Cat
https://doi.org/10.1021/acs.nanolett.9b01329

[Nano Lett. 201919, 4391–4399.] Metal?Organic Frameworks/Conducting Polymer Hydrogel Integrated Three-Dimensional Free-Standing Monoliths as Ultrahigh Loading Li?S Battery Electrodes
Liu, Borui; Bo, Renheng; Taheri, Mahdiar; Bernardo, Iolanda Di; Motta, Nunzio; Chen, Hongjun; Tsuzuki, Takuya; Yu, Guihua; Tricoli, Antonio
Tag: CPCECCTLiSretHECPHED
https://doi.org/10.1021/acs.nanolett.9b01033

ナノワイヤー 
[Nano Lett. 201919, 4355–4361.] Low Resistivity and High Breakdown Current Density of 10 nm Diameter van der Waals TaSe3 Nanowires by Chemical Vapor Deposition
Empante, Thomas A.; Martinez, Aimee; Wurch, Michelle; Zhu, Yanbing; Geremew, Adane K.; Yamaguchi, Koichi; Isarraraz, Miguel; Rumyantsev, Sergey; Reed, Evan J.; Balandin, Alexander A.; Bartels, Ludwig
Tag: VdWCuTMSCCVDNWe-SC
https://doi.org/10.1021/acs.nanolett.9b00958

[Nano Lett. 201919, 4321–4326.] Fractional and Symmetry-Broken Chern Insulators in Tunable MoirÃ? Superlattices
Cheng, Bin; Pan, Cheng; Che, Shi; Wang, Peng; Wu, Yong; Watanabe, Kenji; Taniguchi, Takashi; Ge, Supeng; Lake, Roger; Smirnov, Dmitry; Lau, Chun Ning; Bockrath, Marc
https://doi.org/10.1021/acs.nanolett.9b00811

ポルフィリン 
[J. Chem. Theory Comput. 201915, 4088–4098.] Imaginary Shift in CASPT2 Nuclear Gradient and Derivative Coupling Theory
Park, Jae Woo; Al-Saadon, Rachael; Strand, Nils E.; Shiozaki, Toru
Tag: FeFPALGMMatDMCASGFPCOIAPor
https://doi.org/10.1021/acs.jctc.9b00368

[J. Chem. Theory Comput. 201915, 4044–4055.] All-Electron Quantum Monte Carlo with Jastrow Single Determinant Ansatz: Application to the Sodium Dimer
Nakano, Kousuke; Maezono, Ryo; Sorella, Sandro
Tag: AEAOBEPESDMCQMCALGMNaMatMCBDEAGPe-DFTLRDMC
https://doi.org/10.1021/acs.jctc.9b00295

[J. Chem. Theory Comput. 201915, 3917–3928.] Quantitative Analysis of QM/MM Boundary Artifacts and Correction in Adaptive QM/MM Simulations
Watanabe, Hiroshi C.; Cui, Qiang
Tag: QMQCMDSSoltMD
https://doi.org/10.1021/acs.jctc.9b00180

[J Comput Chem 201940, 2000–2012.] Development of a new parameter optimization scheme for a reactive force field based on a machine learning approach
Nakata, Hiroya; Bai, Shandan
Tag: ALGMMDCVDReaxFFRMDFFML
https://doi.org/10.1002/jcc.25841

らせん分子 らせん分子 
[J Comput Chem 201940, 2036–2042.] The helix-inversion mechanism in double-stranded helical oligomers bridged by rotary cyclic boronate esters
Hayashi, Taku; Lee, Ka Hung; Iida, Hiroki; Yashima, Eiji; Irle, Stephan; Hijikata, Yuh
Tag: BEDFTBdsBDEPMFMDSMDTBTMSHOHMPOMF
https://doi.org/10.1002/jcc.25856

[J Comput Chem 201940, 2043–2052.] Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a molecular tailoring approach
Kondo, Hiroko X.; Kusaka, Ayumi; Kitakawa, Colin K.; Onari, Jinta; Yamanaka, Shusuke; Nakamura, Haruki; Takano, Yu
Tag: MTAAlaAESHHBDFFMee-HBDFT
https://doi.org/10.1002/jcc.25859

クロスカップリング 
[Chem. Eur. J. 201925, 9123–9132.] Recent Progress in the Synthesis of the Monocarba-closo-dodecaborate(???) Anions
Kanazawa, Junichiro; Kitazawa, Yu; Uchiyama, Masanobu
Tag: WCACCCCCR
https://doi.org/10.1002/chem.201900174

[Chem. Eur. J. 201925, 9211–9216.] Near-Infrared Circularly Polarized Luminescence through Intramolecular Excimer Formation of Oligo(p-phenyleneethynylene)-Based Double Helicates
Miki, Koji; Noda, Takeru; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Ohe, Kouichi
Tag: TDMCPCPLCQYanthANTANSnNIRCDIR
https://doi.org/10.1002/chem.201901467

自己集合 
[Chem. Eur. J. 201925, 9230–9236.] Mechanistic Insights into the Self-Assembly of an Acid-Sensitive Photoresponsive Supramolecular Polymer
Kartha, Kalathil K.; Allampally, Naveen Kumar; Yagai, Shiki; Albuquerque, Rodrigo Q.; FernÃ?ndez, Gustavo
Tag: PyrHOTfMCHpyrAZBABAZOSAPyM
https://doi.org/10.1002/chem.201900775

[Chem. Eur. J. 201925, 9295–9302.] 1,4-Dehydrogenation with a Two-Coordinate Cyclic (Alkyl)(amino)silylene
Koike, Taichi; Kosai, Tomoyuki; Iwamoto, Takeaki
Tag: DHACHBHCHDBn613-31-0CHD
https://doi.org/10.1002/chem.201901407

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