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A Pillar[6]arene-[2]pseudorotaxane Based pH-Sensitive molecular switch

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Chinese Journal of Chemistry 2015年第3期33卷 343-345页

作者： Huanqing Chen Xueshun Jia Chunju Li Department of Chemistry Shanghai UniversityShanghai 200444China

A novel pH-responsive[2]pseudorotaxane based on ethylated pillar[6]arene and bis(1,2,3-triazolium)butane cation was *** dethreading and rethreading could be reversibly controlled by adding base and acid,i.e.,the deprotonation and reprotonation of the *** contrast,such responsible switching behavior does not occur for the complexation between the guest and ethylated pillar[5]arene,since both the cationic axle and the deprotonated one can be strongly bound by ethylated pillar[5]***,the bis(1,2,3-triazolium)butane⊂pillar[6]-arene-[2]pseudorotaxane can also disassemble upon the addition of competitive ethylated pillar[5]arene.

关键词： pillararene pseudorotaxane pH-sensitive molecular switch

A first-principles study of dihydroazulene as a possible optical molecular switch

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Science China(Physics,Mechanics & Astronomy) 2011年第3期Mechanics & Astronomy) .卷 437-441页

作者： XIA CaiJuan1, LIU DeSheng2,3 & LIU HanChen1 1 School of Science, Xi’an Polytechnic University, Xi’an 710048, China 2 School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China 3 Department of Physics, Jining University, Qufu 273155, China School of Science Xi’an Polytechnic University Xi’an China School of Physics State Key Laboratory of Crystal Materials Shandong University Jinan China Department of Physics Jining University Qufu China

By applying nonequilibrium Green's function formalism combined with first-principles density functional theory, we investigate the electronic transport properties of the dihydroazulene optical molecular switch. Three kinds of adsorption sites including the hollow, bridge and top sites are studied. The two forms of this molecule, namely the open form and the closed form, can reversibly switch from each other upon photoexcitation. Their transmission spectra are remarkably distinctive. Theoretical results show that the current of the closed form is always significantly larger than that of the open form for all three adsorption sites, which promises this system as possibly one of the good candidates for optical switches due to its unique advantage, and which may have some potential applications in the future molecular circuit.

关键词： molecular switch nonequilibrium Green’s function electronic transport density functional theory

Capped carbon nanotube-based molecular switch

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Science Bulletin 2010年第13期55卷 1227-1230页

作者： ZHAO Peng1, WANG PeiJi1, ZHANG Zhong1 & LIU DeSheng2 1 School of Science, University of Jinan, Jinan 250022, China 2 School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China School of Science University of Jinan Jinan China School of Physics State Key Laboratory of Crystal Materials Shandong University Jinan China

Using the Landauer formalism that combines both the non-equilibrium Green's function (NEGF) and first-principles density functional theory (DFT), the electron transport characteristics of one-dimensional molecular switching device based on the capped carbon nanotubes have been investigated. The results show that the transmission can be efficiently tuned within two orders of magnitude just by changing 0.2 nm of the tube-tube separation. Moreover, the electron transport is insensitive to the topology of the facing conformations which can improve the practical stability of the chosen system as a molecular switch.

关键词： carbon nanotube molecular switch non-equilibrium Green function density functional theory

An Allochroic molecular Cage switch for Sensing and Capturing Organic Pollutants

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Chemical Research in Chinese Universities 2023年第2期39卷 310-317页

作者： JIA Yin FENG Fanda SONG Xinyu SHI Zhiqiang SUN Lin JIANG Ruiyu TANG Lanqin ZHANG Lei Key Laboratory for Advanced Technology in Environmental Protection of Jiangsu Province Yancheng Institute of TechnologyYancheng224051China State Key Laboratory of Coordination Chemistry Nanjing National Laboratory of MicrostructuresSchool of Chemistry and Chemical EngineeringNanjing UniversityNanjing210093China

The adsorption method is considered to be one of the most promising organic pollutants emission reduction *** design and synthesis of high-performance porous adsorbents are one of the most important but challenging *** this work,we constructed a new class of porous molecular cage switches by a simple reaction using phenolphthalein as the raw *** molecular cage switches displayed interesting on-off behavior towards organic guests,which is highly responding to organic pollutants with rapid color change and is also able to adsorb these organic pollutants through an open-to-close *** molecular cage switch also has excellent regenerative cycling properties and water resistance,which is expected to be employed in the handling of organic pollutants in the future.

关键词： Porous organic cage molecular switch Phenolphthalein Organic pollutant Sensor

molecular switches and Multiple Logic Gates Based on 4-（2-Pyridylazo）resorcinol

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Chinese Journal of Chemistry 2013年第6期31卷 721-725页

作者： Zhanhui Tao Yinan Qin Yaqing Liu Lei Xu Erkang Wang School of Chemistry and Enviromental Engineering Changchun University of Science and Technology Changchun 130022 Jilin China Jilin Province Design and Research Institute for Petrochemical Engineering Changchun Jilin 130021 China State Key Laboratory of Electroanalytical Chemistry Changchun Institute of Applied Chemistry Chinese Academy of Sciences Renmin Street 5625 Changchun 130022 Jilin China

A simple-structured 4-（2-pyridylazo）resorcinol （PAR） system presents interesting properties with dual fluorescent outputs. Modulated by solution pH two kinds of reversible switch behaviors, ＂ON-OFF＂ and ＂OFF-ON＂, were realized with the PAR system. Stimulated by different combination of external stimulus, such as metal ions, UV ir- radiation and solution pH, the PAR system could perform multiple logic functions including three inputs AND, two inputs INHIBIT and combinatorial ＂NOR/AND＂ in parallel. The operation of the designed system is very simple and detected with a high sensitive fluorescent signal.

关键词： molecular device logic gate fluorescence molecular switch

Electrically Driven Nonresonant Single molecular switches

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CCS Chemistry 2024年第2期6卷 465-472页

作者： Rui Wang Ajun Tang Zhi Li Yunpeng Li Dahui Qu Hongxiang Li Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and molecular Engineering Feringa Nobel Prize Scientist Joint Research CenterFrontiers Science Center for Materiobiology and Dynamic ChemistryInstitute of Fine ChemicalsSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237

Electrical switching of a single-molecule junction provides a practical module to perform sophisticated operations in electronic ***,designing an all-electrically-driven molecular switch is a great ***,we experimentally and theoretically investigated the charge transport characteristics of isoindigo(ISO)-molecules at the single-molecule level using the scanning tunneling microscope break junction *** find that the single-molecule junctions of ISO-molecules display bias voltage-driven switching *** switches are realtime,reversible,and nondestructive under low-bias *** results show that the mechanism of the switch is not the transition from nonresonant charge transport to resonant charge transport,but it is the shift of the frontier orbital energy levels of ISO-molecules and the change of the interfacial electronic coupling with bias *** results will advance the design of high-performance bias voltage-driven molecular switches.

关键词： single-molecule junction isoindigo molecular switch bias voltage nonresonant charge transport molecular electronics

Structure and Quantum Chemistry Study on Hexaacetyl D-Mannose Hydrazine

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Chinese Journal of Structural Chemistry 2007年第8期26卷 911-916页

作者： CAO Rui LIU Xiao-Hong CHENG Chang-Mei WANG Ru-Ji ZHAO Yu-Fen WANG Lai-Xi Key Laboratory of Bioorganic Phosphorus Chemistry ＆ Chemical Biology （Ministry of Education） Department of Chemistry Tsinghua University Beijing 100084 China Institute of Human Virology University of Maryland Biotechnology Institute University of Maryland USA

Hexaacetyl D-mannose hydrazine is one type of important intermediates in saccharide chemistry. In this paper, its single crystal was obtained and furthermore, X-ray diffraction and quantum chemistry calculation were performed. It belongs to orthorhombic system, space group P212121, with a=16.267（3）, b=19.263（3）, c=7.1948（12）A, Mr=446.41, Dc=1.315 g/cm^3, V=2254.5（6）A^3 and Z=4. Meanwhile, the experimental results also provide information for designing a kind of molecular switch based on the mannose nitrogenous derivatives.

关键词： hexaaeetyl D-mannose hydrazine crystal structure calculation of quantum chemistry molecular switch

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Leukemia stem cells： the root of chronic myeloid leukemia

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Protein & Cell 2015年第6期6卷 403-412页

作者： Hong Zhou Key Laboratory of Cancer Prevention and Intervention China National Ministry of Education Department of Hematology Zhejiang University Hangzhou 310009 China Cancer Institute Second Affiliated Hospital School of Medicine Zhejiang University Hangzhou 310009 China

Chronic myeloid leukemia （CML） is a clonal myeloprolif- erative disorder characterized by a chromosome translocation that generates the Bcr-Abl oncogene en- coding a constitutive kinase activity. Despite remarkable success in controlling CML at chronic phase by Bcr-Abl tyrosine kinase inhibitors （TKIs）, a significant proportion of CML patients treated with TKIs develop drug resis- tance due to the inability of TKIs to kill leukemia stem cells （LSCs） that are responsible for initiation, drug re- sistance, and relapse of CML. Therefore, there is an ur- gent need for more potent and safer therapies against leukemia stem cells for curing CML. A number of LSC- associated targets and corresponding signaling path- ways, including CaMKII-y, a critical molecular switch for co-activating mu｜tipte LSC-associated signaling path- ways, have been identified over the past decades and various small inhibitors targeting LSC are also under development. Increasing evidence shows that leukemia stem cells are the root of CML and targeting LSC may offer a curable treatment option for CML patients. This review summarizes the molecular biology of LSC and its- associated targets, and the potential clinical application in chronic myeloid leukemia.

关键词： chronic myeloid leukemia (CML) leukemiastem cells (LSCs) tyrosine kinase inhibitors (TKIs),CaMKII-~ molecular switch

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Identifi cation of molecular Flipping of an Asymmetric Tris(phthalocyaninato)Lutetium Triple-Decker Complex by Scanning Tunneling Microscopy/Spectroscopy

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Nano Research 2009年第3期2卷 235-241页

作者： Xianghua Kong Shengbin Lei Yanlian Yang Ke Deng Guicun Qi Chen Wang Institute of Chemistry Chinese Academy of SciencesBeijing 100190China National Center for Nanoscience and Technology Beijing 100190China

The assembling behavior and electronic properties of asymmetric tris(phthalocyaninato)lutetium triple-decker sandwich complex molecules(Lu2Pc3)on highly oriented pyrolytic graphite(HOPG)surfaces have been studied by scanning tunneling microscopy/spectroscopy(STM/STS)*** transitions were observed at different bias polarities,involving an ordered packing arrangement with fourfold symmetry at negative bias and an amorphous arrangement at positive *** switching behaviour for individual Lu2Pc3 molecules was reported here according to the bias-polarity-induced flipping phenomena and the peak shift in dI/dV versus V curves at different voltage scanning *** sensitive response of the strong intrinsic molecular dipole to an external electric field is proposed to be responsible for molecular switching of Lu_(2)Pc_(3)at the solid/liquid interface.

关键词： Triple-decker sandwich complex phase transition molecular switch scanning tunneling microscopy/spectroscopy