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Development of Novel Phase Transition Devices Utilizing Strongly-correlated Molecular Conductors 利用强相关分子导体的新型相变器件的研制
Molecular Science Pub Date : 2017-01-01 DOI: 10.3175/MOLSCI.11.A0092
M. Suda
{"title":"Development of Novel Phase Transition Devices Utilizing Strongly-correlated Molecular Conductors","authors":"M. Suda","doi":"10.3175/MOLSCI.11.A0092","DOIUrl":"https://doi.org/10.3175/MOLSCI.11.A0092","url":null,"abstract":"【 Abstract 】 Stimulated by the discovery of high-TC superconductivity in 1986, band-filling-control of strongly-correlated electron systems have been a persistent challenge for past three decades in condensed matter science. Especially, recent efforts have been focused on electrostatic carrier doping of such materials utilizing field-effect transistor (FET) structures to find novel superconductivity. In this presentation, recent results on the development of novel superconducting (SC) organic FETs, such as strain-tunable SC FET and light-controllable SC FET are summarized. The techniques and knowledge described here will contribute to the advances in future superconducting electronics as well as the understanding of superconductivity in strongly-correlated electron systems.","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91381609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Study on a Novel Light-driven Sodium Pump and Creation of New Functional Molecules 新型光驱动钠泵的研究及新功能分子的制备
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/MOLSCI.10.A0086
Keiichi Inoue
{"title":"The Study on a Novel Light-driven Sodium Pump and Creation of New Functional Molecules","authors":"Keiichi Inoue","doi":"10.3175/MOLSCI.10.A0086","DOIUrl":"https://doi.org/10.3175/MOLSCI.10.A0086","url":null,"abstract":"Microbial rhodopsin is a photo-receptive membrane protein of micro-organisms. The most ubiquitous microbial rhodopsins are light-driven ion pumps which actively transport H+ or Clagainst membrane chemical potential. In 2013, we reported a new class of ion pump rhodopsin, sodium pump rhodopsin (KR2) which outwardly transports Na+ ion by the use of light energy. The mechanism of Na+ transport by KR2 was investigated in spectroscopic and crystallographic studies. The results showed that the H+ transfer between photoisomerized retinal Schiff base and its counter ion, Asp116, is a critical process for the Na+-transport function. After this H+ transfer, the protonated Asp116 sequesters the H+ from the ion-transport pathway, and then immediately Na+ is taken up from the cytoplasmic side. The Na+ binds to the site composed of Asn112 and Asp251, and simultaneously H+ goes back to the retinal Schiff base. Then, positive charge of the reprotonated retinal Schiff-base prevents the back flow of Na+ to the cytoplasmic side. Finally, the Na+ is released to the extracellular side. Furthermore, on the basis of structural insights about KR2, we have succeeded to develop new artificial K+ and Cs+ pumping KR2 mutants, KR2K+ and KR2Cs+, respectively. Wildtype KR2 and these mutants are expected to provide new ways of the application to optogenetics.","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89357421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reports from a Tiny Science Lab of Hands-on Activities for School Kids 来自小学生动手活动的小型科学实验室的报告
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/MOLSCI.10.A0083
N. Mikami
{"title":"Reports from a Tiny Science Lab of Hands-on Activities for School Kids","authors":"N. Mikami","doi":"10.3175/MOLSCI.10.A0083","DOIUrl":"https://doi.org/10.3175/MOLSCI.10.A0083","url":null,"abstract":"","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89602704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reaction of Gas-phase Clusters Conducted under Thermal Conditions: Redox Reaction of Cerium Oxide Clusters: —セリウム酸化物クラスターの酸化還元反応を例として— Reaction of Gas-phase Clusters Conducted under Thermal Conditions:Redox Reaction of Cerium Oxide Clusters:—以铈氧化物簇的氧化还原反应为例—
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/MOLSCI.10.A0089
Toshiaki Nagata, F. Mafuné
{"title":"Reaction of Gas-phase Clusters Conducted under Thermal Conditions: Redox Reaction of Cerium Oxide Clusters: —セリウム酸化物クラスターの酸化還元反応を例として—","authors":"Toshiaki Nagata, F. Mafuné","doi":"10.3175/MOLSCI.10.A0089","DOIUrl":"https://doi.org/10.3175/MOLSCI.10.A0089","url":null,"abstract":"","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78927719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Revealing Single Molecular Solvent Reorientation Dynamics by Complementary Use of Picosecond Time Resolved IR Spectroscopy and MD Simulation 利用皮秒时间分辨红外光谱和MD模拟互补揭示单分子溶剂重定向动力学
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/MOLSCI.10.A0087
M. Miyazaki
{"title":"Revealing Single Molecular Solvent Reorientation Dynamics by Complementary Use of Picosecond Time Resolved IR Spectroscopy and MD Simulation","authors":"M. Miyazaki","doi":"10.3175/MOLSCI.10.A0087","DOIUrl":"https://doi.org/10.3175/MOLSCI.10.A0087","url":null,"abstract":"Dynamics of solvent molecules around a solute molecule plays a crucial role in chemical and biological processes, such as chemical reactivity, biological recognition, and hydrophobic interaction. Though extensive studies on the solvation dynamics have been carried out, the single molecular level information about the dynamics is hard to obtain in the condensed phase suffered by averaging effects over solvent molecules in various environments. In this study, gas phase hydrated clusters, for which size and orientation of hydration can be specifically defined, are utilized as a model system to elucidate the solvation dynamics in a molecular specific fashion by complementary use of picosecond time resolved IR spectroscopy and on-the-fly DFT MD simulation. An ionization induced CO → NH water reorientation in the CO bound acetanilide–water cluster was investigated as the first example of solvent reorientation. The time resolved IR spectra revealed that the reaction has an intermediate and takes ca. 6 ps to finish the reorientation. The MD simulation showed that the reaction is composed of two different channels; one is a fast channel in which the water molecule travels around the CH 3 group and the other is a slow channel in which water molecule once stays above the molecular plane. This detailed information about the water reorientation dynamics is first obtained by introducing a new dimen-sion, i.e. time, into the established method of determining static cluster structures, IR spectroscopy + quantum chemical calculations. This concept would open a new stage to study dynamic processes in the molecular level using gas phase solvated clusters.","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90832818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nuclear and Electron Wave Packet Molecular Dynamics Simulation Method and Its Application to Liquid, Solid and Supercooled Hydrogens: ―分子から固体まで― 核和电子波包分子动力学模拟方法及其在液体、固体和过冷氢中的应用
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/MOLSCI.10.A0084
Hyeon-Deuk Kim
{"title":"Nuclear and Electron Wave Packet Molecular Dynamics Simulation Method and Its Application to Liquid, Solid and Supercooled Hydrogens: ―分子から固体まで―","authors":"Hyeon-Deuk Kim","doi":"10.3175/MOLSCI.10.A0084","DOIUrl":"https://doi.org/10.3175/MOLSCI.10.A0084","url":null,"abstract":"","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85476227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of Molecular Vibrational Structure Theory with an Explicit Account of Anharmonicity 含非调和性的分子振动结构理论的发展
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/MOLSCI.10.A0085
K. Yagi
{"title":"Development of Molecular Vibrational Structure Theory with an Explicit Account of Anharmonicity","authors":"K. Yagi","doi":"10.3175/MOLSCI.10.A0085","DOIUrl":"https://doi.org/10.3175/MOLSCI.10.A0085","url":null,"abstract":"Vibrational spectroscopy is a viable tool to reveal the mechanism of various molecular systems at the atomic and molecular resolution; yet the interpretation of the observed spectrum is often non-trivial and requires a theoretical assistance. Although it is rather common to calculate the vibrational spectrum based on the harmonic approximation, anharmonicity plays a crucial role, in particular, for the OH and NH stretching vibrations that lie in a high frequency region. In this article, recent advances in the vibrational structure theory are reviewed regarding: (1) The generation of anharmonic potential energy surface by the electronic structure calculation, (2) An efficient solver of vibrational Schrödinger equation by the vibrational quasi-degenerate perturbation theory based on variationally optimized coordinates, (3) A weight average approach to simulate the vibrational spectrum of condensed phase systems.","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86736249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Short Stories of Chemical Reactions for Young Students 《少年学生化学反应短篇故事》
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/molsci.10.A0082
Toshinori Suzuki
{"title":"Short Stories of Chemical Reactions for Young Students","authors":"Toshinori Suzuki","doi":"10.3175/molsci.10.A0082","DOIUrl":"https://doi.org/10.3175/molsci.10.A0082","url":null,"abstract":"少し前になりますが,ある高校 1年生の生徒さんから電 子メールが届きました。私の研究室を訪ねて,研究内容に ついて聞いてみたいという要望でした。その高校では,大 学の先生を訪ねて研究内容の説明を聞き,それを学校に持 ち帰って皆に話す活動を行っているというのです。もちろ ん,私はその生徒さんを歓迎して,分子がどんな成り立ち をし,どんなふうに反応するかを説明したり,実験装置を 見せてあげたりしました。生徒さんにとっては初めての話 ばかりだったでしょうが,熱心に話を聞き,とても良い質 問をたくさんしてくれました。そうして考えてみると,私 は専門家や大学院生のための解説をいくつも書いているの に,中学生や高校生の皆さんへの解説文は書いたことがな いことに気がつきました。生徒さんの訪問をきっかけに, 分子や化学反応に興味を持っている方もいるかもしれない なと思いました。そこで今回,この雑誌に原稿を依頼され た機会に,解説文を書いてみることにしました。 少し難しく感じる所もあるかもしれませんが,そういう ところがあれば,とばして読んでいただいて構 かま いません。 後になってから,ああそうかと分かってもらえる時もある かもしれませんし,私の解説よりももっとわかりやすい説 明を図書館やインターネットで探してもらうきっかけにな るだけでも,うれしく思います。","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81147966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel Photo-excited State and Femtosecond Dynamics in Perovskite-type Cobalt Oxides 钙钛矿型钴氧化物的新型光激发态和飞秒动力学
Molecular Science Pub Date : 2016-01-01 DOI: 10.3175/MOLSCI.10.A0088
Y. Okimoto
{"title":"Novel Photo-excited State and Femtosecond Dynamics in Perovskite-type Cobalt Oxides","authors":"Y. Okimoto","doi":"10.3175/MOLSCI.10.A0088","DOIUrl":"https://doi.org/10.3175/MOLSCI.10.A0088","url":null,"abstract":"We performed femtosecond reflection spectroscopy on a series of perovskite-type cobalt oxide, R BaCo 2 O 6- d ( R = Sm, Gd, and Tb). The transient reflectivity as well as the optical conductivity just after photoirradiation shows ultrafast change within the time resolution (ca. 120 fs) at room temperature, implying appearance of a hidden state different from the high temperature phase. The transferred spectral weight in the optical conductivity by the photoexcitation sensitively depends on the R -species. i.e ., transfer of the d electron. Recent theoretical treatment which quantitatively succeeded in reproducing the transfer dependence of the excited state indicates that the photoirradiation causes locally ferromag-netic state via double-exchange interaction between the injected hole and spins of Co ion, which can be viewed as a novel example of photoinduced phase transition.","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88801065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
液体界面の構造，分光，輸送の理論研究 液体界面の构造，分光，输送の理论研究
Molecular Science Pub Date : 2015-01-01 DOI: 10.3175/molsci.9.A0076
達也 石山
{"title":"液体界面の構造，分光，輸送の理論研究","authors":"達也 石山","doi":"10.3175/molsci.9.A0076","DOIUrl":"https://doi.org/10.3175/molsci.9.A0076","url":null,"abstract":"","PeriodicalId":19105,"journal":{"name":"Molecular Science","volume":"283 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76830065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
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