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| 1 | A high-quality genome assembly of quinoa provides insights into the molecular basis of salt bladder-based salinity tolerance and the exceptional nutritional value显示文摘 | Changsong Zou Aojun Chen Lihong Xiao Heike M Muller Peter Ache Georg Haberer Meiling Zhang Wei Jia Ping Deng Ru Huang Daniel Lang Feng Li Dongliang Zhan Xiangyun Wu Hui Zhang Jennifer Bohm Renyi Liu Sergey Shabala Rainer Hedrich Jian-Kang Zhu Heng Zhang | 2017 | Cell Research2017，27，11： | 22 |
| 2 | The Deep-Time Digital Earth program:data-driven discovery in geosciences显示文摘Current barriers hindering data-driven discoveries in deep-time Earth(DE)include:substantial volumes of DE data are not digitized;many DE databases do not adhere to FAIR(findable,accessible,interoperable and reusable)principles;we lack a systematic knowledge graph for DE;existing DE databases are geographically heterogeneous;a significant fraction of DE data is not in open-access formats;tailored tools are needed.These challenges motivate the Deep-Time Digital Earth(DDE)program initiated by the International Union of Geological Sciences and developed in cooperation with national geological surveys,professional associations,academic institutions and scientists around the world.DDE’s mission is to build on previous research to develop a systematic DE knowledge graph,a FAIR data infrastructure that links existing databases and makes dark data visible,and tailored tools for DE data,which are universally accessible.DDE aims to harmonize DE data,share global geoscience knowledge and facilitate data-driven discovery in the understanding of Earth’s evolution. | Chengshan Wang Robert MHazen Qiuming Cheng Michael HStephenson Chenghu Zhou Peter Fox Shu-zhong Shen Roland Oberhansli Zengqian Hou Xiaogang Ma Zhiqiang Feng Junxuan Fan Chao Ma Xiumian Hu Bin Luo Juanle Wang Craig M.Schiffries | 2021 | National Science Review2021，8，9： | 14 |
| 3 | Eleven COVID-19 Outbreaks with Local Transmissions Caused by the Imported SARS-CoV-2 Delta VOC-China,July-August,2021显示文摘Starting from December 2019,Wuhan,China,encountered the first outbreak of coronavirus disease 2019(COVID-19)(1-2).The epidemic was successfully suppressed by strict containment so that the number of infected people was reduced to 0 on April 8,2020(3–4).After that,China experienced roughly 3 dozen outbreaks with local transmission caused by imported severe acute respiratory syndrome coronavirus 2(SARS-CoV-2). | Lei Zhou Kai Nie Hongting Zhao Xiang Zhao Bixiong Ye Ji Wang Cao Chen Hong Wang Jiangli Di Jinsong Li Chao Li Zhixiao Chen Ruiqi Ren Peihua Niu Hui Chen Tao Chen Yali Wang Lili Li Bingxue Han Ruhan A Si Chen Dan Li Dan Li Chunxia Jin Xin Zhang Jiangmei Liu Chunyu Xu Yecheng Yao Yenan Feng Zhili Li Bike Zhang Yang Song Peter Hao Yanping Zhang Hao Li Qun Li George F.Gao Guoqing Shi Wenbo Xu | 2021 | China CDC weekly2021，3，41： | 13 |
| 4 | Dynamic tubulation of mitochondria drives mitochondrial network formation显示文摘 | Chong Wang Wanqing Du Qian Peter Su Mingli Zhu Peiyuan Feng Ying Li Yichen Zhou Na Mi Yueyao Zhu Dong Jiang Senyan Zhang Zerui Zhang Yujie Sun Li Yu | 2015 | Cell Research2015，25，10： | 8 |
| 5 | 863 genomes reveal the origin and domestication of chicken显示文摘Despite the substantial role that chickens have played in human societies across the world,both the geographic and temporal origins of their domestication remain controversial.To address this issue,we analyzed 863 genomes from a worldwide sampling of chickens and representatives of all four species of wild jungle fowl and each of the five subspecies of red jungle fowl(RJF).Our study suggests that domestic chickens were initially derived from the RJF subspecies Gallus gallus spadiceus whose present-day distribution is predominantly in southwestern China,northern Thailand and Myanmar.Following their domestication,chickens were translocated across Southeast and South Asia where they interbred locally with both RJF subspecies and other jungle fowl species.In addition,our results show that the White Leghorn chicken breed possesses a mosaic of divergent ancestries inherited from other subspecies of RJF.Despite the strong episodic gene flow from geographically divergent lineages of jungle fowls,our analyses show that domestic chickens undergo genetic adaptations that underlie their unique behavioral,morphological and reproductive traits.Our study provides novel insights into the evolutionary history of domestic chickens and a valuable resource to facilitate ongoing genetic and functional investigations of the world's most numerous domestic animal. | Ming-Shan Wang Mukesh Thakur Min-Sheng Peng Yu Jiang Laurent Alain Francois Frantz Ming Li Jin-Jin Zhang Sheng Wang Joris Peters Newton Otieno Otecko Chatmongkon Suwannapoom Xing Guo Zhu-Qing Zheng Ali Esmailizadeh Nalini Yasoda Hirimuthugoda Hidayat Ashari Sri Suladari Moch Syamsul Arifin Zein Szilvia Kusza Saeed Sohrabi Hamed Kharrati-Koopaee Quan-Kuan Shen Lin Zeng Min-Min Yang Ya-Jiang Wu Xing-Yan Yang Xue-Mei Lu Xin-Zheng Jia Qing-Hua Nie Susan Joy Lamont Emiliano Lasagna Simone Ceccobelli Humpita Gamaralalage Thilini Nisanka Gunwardana Thilina Madusanka Senasige Shao-Hong Feng Jing-Fang Si Hao Zhang Jie-Qiong Jin Ming-Li Li Yan-Hu Liu Hong-Man Chen Cheng Ma Shan-Shan Dai Abul Kashem Fazlul Haque Bhuiyan Muhammad Sajjad Khan Gamamada Liyanage Lalanie Pradeepa Silva Thi-Thuy Le Okeyo Ally Mwai Mohamed Nawaz Mohamed Ibrahim Megan Supple Beth Shapiro Olivier Hanotte Guojie Zhang Greger Larson Jian-Lin Han Dong-Dong Wu Ya-Ping Zhang | 2020 | Cell Research2020，30，8： | 7 |
| 6 | Diversity of arbuscular mycorrhizal fungi associated with desert ephemerals growing under and beyond the canopies of Tamarisk shrubs显示文摘arbuscular mycorrhizal (AM ) 四很普通的短暂植物种的真菌的地位, Chorispora tenella (棺罩) DC, Cerato-cephalus testiculatus (Crantz ) 贝丝, Eremopyrum 面向(L) Jaub et Spash 和在树柳属植物灌木(Tamarix spp ) 统治的一个区域成长的维朗妮卡 campy-lopoda Boiss 被调查。四 ephemerals 和他们的根围土壤的样品从在下面并且在 Tamariskshrubs 的华盖以外被收集。植物 mycorrhizal 地位和土壤 AM 真菌的孢子密度和社区结构被分析并且比较在下面并且在灌木华盖以外。在他们的相应根围土壤的 ephemerals 和孢子密度的 mycorrhizal 殖民率在灌木华盖下面是显著地更低的比在远处。在灌木(12 ) 下面的 AM 真菌的种类的数字也比在华盖(19 ) 以外低。什么时候在四 ephemerals 的根围玷污性质,被检验的、可得到的 N 和 P 和全部的 P,有机物内容,全部的盐内容和电的电导率(EC ) 都在华盖下面是更高的比在远处。相反,玷污显示出的可得到的 K 和酸碱值没有如此的趋势。上午 21 点的一个总数真菌的种类从四 ephemerals 的根围土壤被孤立。五属于 Acaulospora,到 Archaeo-spora, 13 到血管球并且二到 Paraglomus。我们得出结论 Tamarix spp 的华盖。对 ephemerals 的 AM 地位并且在 AM 真菌的社区和一些他们的根围土壤的性质上施加了一些影响。 | SHI Zhaoyong ZHANG Liyun FENG Gu Chr stie Peter TIAN Changyan LI Xiaolin | 2006 | Chinese Science Bulletin2006，51，A01： | 6 |
| 7 | Rapid assessment of acid phosphatase activity in the mycorrhizosphere and in arbuscular mycorrhizal fungal hyphae显示文摘A pot experiment has been carried out under controlled conditions to study the possibility of applying the technique of in vivo staining for acid phosphatase activity on the roots of mycorrhizal plants and arbuscular mycorrhizal hyphae. The pots had 5 compartments. The central root compartment was separated from the two adjacent hyphal compartments using nylon nets of 30 μm mesh, and the two hyphal compartments were separated from the two outermost compartments with 0.45 μm membranes. Red clover was grown in the root compartment and was either inoculated with the arbuscular mycorrhizal fungus (AMF) Glomus mosseae or uninoculated. Sodium phytate was applied to all compartments. The results show that AMF can increase acid phosphatase activity of clover roots. The plant roots acquired deep red 'mycorrhizal prints'. The external hyphae also had obvious 'hyphal prints' on the test papers, indicating the ability of mycorrhizal hyphae to release acid phosphatase. | SONG Yongchun LI Xiaolin FENG Gu ZHANG Fusuo Christie Peter | 2000 | Chinese Science Bulletin2000，45，13： | 5 |
| 8 | Discussions on rockburst and dynamic ground support in deep mines显示文摘The paper is a summary of discussions on four topics in rockburst and dynamic ground support.Topic 1 is the mechanisms of rockburst.Rockburst events are classified into two categories in accordance with the triggering mechanisms,i.e.strain burst and fault-slip burst.Strain burst occurs on rock surfaces when the tangential stress exceeds the rock strength in hard and brittle rocks.Fault-slip burst is triggered by fault-slip induced seismicity.Topic 2 is prediction and forecasting of rockburst events.Prediction for a rockburst event must tell the location,timing and magnitude of the event.Forecasting could simply foresee the probability of some of the three parameters.It is extremely challenging to predict rockbursts and large seismic events with current knowledge and technologies,but forecasting is possible,for example the possible locations of strain burst in an underground opening.At present,the approach using seismic monitoring and numerical modelling is a promising forecasting method.Topic 3 is preconditioning methods.The current preconditioning methods are blasting,relief-hole drilling and hydrofracturing.Defusing fault-slip seismicity is difficult and challenging but has been achieved.In very deep locations(>3000 m),the fracturing could extend from the excavation face to a deep location ahead of the face and therefore preconditioning is usually not required.Topic 4 is dynamic ground support against rockburst.Dynamic ground support requires that the support system be strong enough to sustain the momentum of the ejecting rock on one hand and tough enough on the other hand to absorb the strain and seismic energies released from the rock mass.The current dynamic support systems in underground mining are composed of yielding tendons and flexible surface retaining elements like mesh/screen and straps.Yielding props and engineered timber props are also used for dynamic support. | Charlie C.Li Peter Mikula Brad Simser Bruce Hebblewhite William Joughin Xiaowei Feng Nuwen Xu | 2019 | Journal of Rock Mechanics and Geotechnical Engineering2019，11，5： | 5 |
| 9 | 铝电解槽内电解质-气泡两相流及氧化铝扩散的模拟计算显示文摘本文建立了电解质-气泡两相流模型和氧化铝扩散模型,全面考虑了气泡、电磁力以及铝液流动等三个因素,计算分析了稳态电解质流动场和瞬态氧化铝浓度场。主要结果如下:将铝液流动引入计算十分必要,否则会弱化电解质漩涡流动状态,削弱氧化铝的整槽扩散速度;新概念母线可使电解质流动的两个漩涡对称性更加明显、流速分布更为均匀,进而使氧化铝浓度分布更加均匀。测量结果与模拟结果所揭示的氧化铝浓度分布规律相吻合。 | 刘伟 胡红胜 周东方 杨晓东 Yuqing Feng Peter J. Witt | 2016 | 轻金属2016，，1： | 5 |
| 10 | Variation in forest soil fungal diversity along a latitudinal gradient显示文摘In forest ecosystems,plant communities shape soil fungal communities through the provisioning of carbon.Although the variation in forest composition with latitude is well established,little is known about how soil fungal communities vary with latitude.We collected soil samples from 17 forests,along a latitudinal transect in western China.Forest types covered included boreal,temperate,subtropical and tropical forests.We used 454 pyrosequencing techniques to analyze the soil communities.These data were correlated with abiotic and biotic variables to determine which factors most strongly influenced fungal community composition.Our results indicated that temperature,latitude,and plant diversity most strongly influence soil fungal community composition.Fungal diversity patterns were unimodal,with temperate forests(mid latitude)exhibiting the greatest diversity.Furthermore,these diversity patterns indicate that fungal diversity was highest in the forest systems with the lowest tree diversity(temperate forests).Different forest systems were dominated by different fungal subgroups,ectomycorrhizal fungi dominated in boreal and temperate forests;endomycorrhizal fungi dominated in the tropical rainforests,and non-mycorrhizal fungi were best represented in subtropical forests.Our results suggest that soil fungal communities are strongly dependent on vegetation type,with fungal diversity displaying an inverse relationship to plant diversity. | Ling-Ling Shi Peter E.Mortimer J.W.Ferry Slik Xiao-Ming Zou Jianchu Xu Wen-Ting Feng Lu Qiao | 2014 | Fungal Diversity2014，，1： | 4 |
| 11 | Effects of pretreatment with clopidogrel and aspirin followed by long-term therapy in patients undergoing percutaneous coronary intervention: the PCI-CURE study显示文摘 | Shamir R Mehta Salim Yusuf Ron JG Peters Michel E Bertrand Basil S Lewis Madhu K Natarajan Klas Malmberg Hans-Jürgen Rupprecht Feng Zhao Susan Chrolavicius Ingrid Copland Keith AA Fox | 2001 | The Lancet . 2001 (9281)2001，，9281： | 4 |
| 12 | Characterization and mapping of the multi-component release kinetics of a Traditional Chinese Medicine dosage form using a modified LC/MS/MS method and chemomic release kinetic theory显示文摘It is essential to develop effective methods for the quality control of the traditional medicine with multiple components.However,few researches on the quality control have been conducted to interpret the holistic characteristics of the traditional medicine in terms of dissolution/release.In this study,the multi-component release kinetics of Traditional Chinese Medicine(TCM)dosage forms was characterized and mapped by multivariate analysis techniques in the field of‘‘-omics’’.The Liuweidihuang pill was used as a model formulation.The multi-component release kinetics of the concentrated and water-honeyed Liuweidihuang pills at rotation speeds of 50 and 100 rpm were analyzed by chemomic release kinetic theory and modified LC/MS/MS method.Mass features of 103(concentrated pills)and 101(water-honeyed pills)were selected with a linear correlation coefficient Z0.99 between mass responses and concentrations.To compose the chemomic standard spectrum,the relative abundance of both mass features was no less than 1%as compared with an internal standard.The correlation coefficients between six samples of various solutions were in line with analytical requirements of precision(rZ0.985).The score plots of principal component analysis showed that the concentrated Liuweidihuang pills presented better chemomic release reproducibility than the water-honeyed pills.Conversely,the impact of rotation speed on the chemomic release was less obvious.The heat maps of hierarchical clustering analysis did not show significant changes in individual clusters of mass features along different time intervals,reflecting the release integrity of the mass features.Therefore,both multivariate analysis methods,the principal component analysis and the hierarchical clustering analysis,seemed to be effective techniques to demonstrate the multiple component release performance of TCM.The research provided the basis of a new strategy for the quality control procedures of the dissolution/release for the traditional medicine and multi-component natural products to address increasing regulatory requirements and scrutiny across the world. | Hai-yan Li Xiang-yong Cui Feng Gao Peter York Qun Shao Xian-zhen Yin Tao Guo Zhen Guo Jing-kai Gu Ji-wen Zhang | 2011 | Acta Pharmaceutica Sinica B2011，1，2： | 3 |
| 13 | Insulin-like growth factor 1-induced enolase 2 deacetylation by HDAC3 promotes metastasis of pancreatic cancer显示文摘Enolase 2(ENO2)is a key glycolytic enzyme in the metabolic process of glycolysis,but its potential function in pancreatic ductal adenocarcinoma(PDAC)is unclear.In this study,we observed a significant overexpression of ENO2 in PDAC tissues,and its expression was correlated with metastasis and poor prognosis in PDAC patients.K394 was identified as a major acetylation site in ENO2 that regulates its enzymatic activity,cell metabolism and PDAC progression.Knockdown of ENO2 suppressed tumor growth and liver metastasis in PDAC.Re-expression of wild-type(WT)ENO2,but not the K394 acetylation mimetic mutant,could reverse the decreased tumor malignancy.We further characterized histone deacetylase 3(HDAC3)and P300/CBP-associated factor(PCAF)as the potential deacetylase and acetyltransferase for ENO2,respectively.HDAC3-mediated deacetylation was shown to lead to ENO2 activation and enhancement of glycolysis.Importantly,insulin-like growth factor-1(IGF-1)was found to decrease K394 acetylation and stimulate ENO2 activity in a dose-and time-dependent manner.The PI3K/AKT/mTOR pathway facilitated the phosphorylation of HDAC3 on S424,which promoted K394 deacetylation and activation of ENO2.Linsitinib,an oral small-molecule inhibitor of IGF-1R,could inhibit IGF-1-induced ENO2 deacetylation by HDAC3 and the PI3K/AKT/mTOR pathway.Furthermore,linsitinib showed a different effect on the growth and metastasis of PDAC depending on the overexpression of WT versus K394-mutant ENO2.Our results reveal a novel mechanism by which acetylation negatively regulates ENO2 activity in the metastasis of PDAC by modulating glycolysis.Blockade of IGF-1-induced ENO2 deacetylation represents a promising strategy to prevent the development of PDAC. | Yan Zheng Chao Wu Jimeng Yang Yue Zhao Huliang Jia Min Xue Da Xu Feng Yang Deliang Fu Chaoqun Wang Beiyuan Hu Ze Zhang Tianen Li Shican Yan Xuan Wang Peter J.Nelson Christiane Bruns Lunxiu Qin Qiongzhu Dong | 2020 | Signal Transduction and Targeted Therapy2020，5，1： | 3 |
| 14 | Molecular mechanisms of heavy metal hyperaccumulation and phytoremediation显示文摘 | Xiaoe Yang Ying Feng Zhenli He Peter J. Stoffella | 2005 | Journal of Trace Elements in Medicine and Biology2005，，4： | 3 |
| 15 | Variations in Wool Growth with Nutrient Supply in Northern China显示文摘Field studies on essessment of nutritional status of the grazing sheep were carried out in each of the three major grassland regions, the eastern Inner Mongolia and beyond grassland, the Inner Mongolia - Ningxia - Gansu grassland and the Xinjiang grassland, in northern China. The results obtained showed that the wool production of fine wool sheep in these regions varied between regions and seasons, with similar seasonal patterns in all regions and that reducing the seasonal variations in nutrient supply would enhance wool production substantially. Nutritional limitations to wool growth of the grazing sheep in these regions were suggested, those were: the shortage of protein supply in winter and early spring; the poor quality of much of the pasture and the hay used as supplements, the low energy intake during winter which probably necessitated the use of body stores to maintain body temperature. | D X Lu,Iner(Mongolia Academy of Animal Sciences.Hohhot City.Inner Mongolia Autgolia Autonmous Region.PRC)Z C Feng,(Mongolia Academy of Animal Sciences.Hohhot City.Inner Mongolia Autgolia Autonmous Region.PRC)H R Wang,(Mongolia Academy of Animal Sciences.Hohhot City.Inner Mongolia Autgolia Autonmous Region.PRC)R Z Yang,(Xinjiang Institute of Animal Science.Xinjiang Academy of Animal Science.Yiu Hou Road.Urumqi.Xinjiang Uygur Autonomous Region PRC)C T Ma,(Chinese Academy of Agricultural Sciences.Lanzhou.Gansu.PRC)D B Purser,(CSIRO Division of Animal Production.Laboratory for Rural Research.Private Bag.P.O.Wembley.Western Australia 6014)J R Lindsay(CSIRO Division of Animal Production.Laboratory for Rural Research.Private Bag.P.O.Wembley.Western Australia 6014)D W Peter(CSIRO Division of Animal Production.Laboratory for Rural Research.Private Bag.P.O.Wembley.Western Australia 6014) | 1997 | 畜牧与饲料科学1997，22，S1： | 3 |
| 16 | Preface:molecular,cellular,and tissue mechanobiology显示文摘Mechanics plays a crucial role in a diversity of biological processes at different length (from molecules, cells, tissues,organs to organisms) and time scales. As a rapidly growing field across the interfaces of mechanics, biology, and medical engineering, mechanobiology aims to identify the mechanical and biological responses of cells and tissues of mechanical factors (e.g., stress, strain, and substrate stiffness) and their underlying mechanisms at different scales; to correlate the physiological and pathological growth, adaption, remodeling, and degradation of tissues and organs with their mechanical forces, properties, and environments; | Xi-Qiao Feng Peter Vee Sin Lee Chwee Teck Lim | 2017 | Acta Mechanica Sinica2017，33，2： | 3 |
| 17 | Monitoring Greenhouses Gases over China Using Space-Based Observations Monitoring Greenhouses Gases over China Using Space-Based Observations显示文摘The atmospheric carbon dioxide(CO 2)concentration has increased to more than 405 parts per million(ppm.1 ppm=10-6 m/s 2)in 2017 due to human activities such as deforestation,land-use change and burning of fossil fuels.Although there is broad scientific consensus on the damaging consequences of the change in climate associated with increasing concentrations of greenhouse gases,fossil CO 2 emissions have continued to increase in recent years mainly from rapidly developing economies and China is now the largest emitter of CO 2 generating about 30%of all emissions globally.To allow more reliable forecast of the future state of the carbon cycle and to support the efforts for mitigation greenhouse gas emissions,a better understanding of the global and regional carbon budget is needed.Space-based measurements of CO 2 can provide the necessary observations with dense coverage and sampling to provide improved constrains on of carbon fluxes and emissions.The Chinese Global Carbon Dioxide Monitoring Scientific Experimental Satellite(TanSat)was established by the National High Technology Research and Development Program of China with the main objective of monitoring atmospheric CO 2 and CO 2 fluxes at the regional and global scale.TanSat has been successfully launched in December 2016 and as part of the Dragon programme of ESA and the Ministry of Science and Technology(MOST),a team of researchers from Europe(UK and Finland)and China has evaluated early TanSat data and contrast it against data from the GOSAT mission and models.In this manuscript,we report on retrieval intercomparisons of TanSat data using two different retrieval algorithms,on validation efforts for the Eastern Asia region using GOSAT CO 2 data and first assessments of TanSat and GOSAT CO 2 data against model calculations using the GEOS-Chem model. | Hartmut BOESCH Yi LIU Paul I PALMER Johanna TAMMINEN Jasdeep S ANAND Zhaonan CAI Ke CHE Huilin CHEN Xi CHEN Liang FENG Janne HAKKARAINEN Pauli HEIKKINEN Nikoleta KALAITZI Rigel KIVI Robert PARKER Peter SOMKUTI Jing WANG Alex WEBB Dongxu YANG Lu YAO You YI | 2020 | Journal of Geodesy and Geoinformation Science2020，3，4： | 2 |
| 18 | A Relocation-based Initialization Scheme to Improve Track-forecasting of Tropical Cyclones显示文摘A relocation procedure to initialize tropical cyclones was developed to improve the representation of the initial conditions and the track forecast for Panasonic Weather Solutions Tropical Operational Forecasts. This scheme separates the vortex perturbation and environment field from the first guess, then relocates the initial vortex perturbations to the observed position by merging them with the environment field. The relationships of wind vector components with stream function and velocity potential are used for separating the vortex disturbance from first guess. For the separation of scalars, a low-pass Barnes filter is employed. The irregular-shaped relocation area corresponding to the specific initial conditions is determined by mapping the edge of the vortex radius in 36 directions.Then, the non-vortex perturbations in the relocation area are removed by a two-pass Barnes filter to retain the vortex perturbations, while the variable fields outside the perimeter of the modified vortex are kept identical to the original first guess. The potential impacts of this scheme on track forecasts were examined for three hurricane cases in the 2011–12 hurricane season. The experimental results demonstrate that the initialization scheme is able to effectively separate the vortex field from the environment field and maintain a relatively balanced and accurate relocated first guess. As the initial track error is reduced, the following track forecasts are considerably improved. The 72-h average track forecast error was reduced by 32.6% for the cold-start cases, and by 38.4% when using the full-cycling data assimilation because of the accumulated improvements from the initialization scheme. | GAO Feng Peter P. CHILDS Xiang-Yu HUANG Neil A. JACOBS Jinzhong MIN | 2014 | Advances in Atmospheric Sciences2014，31，1： | 2 |
| 19 | Molecular simulation study of dynamical properties of room temperature ionic liquids with carbon pieces显示文摘Room temperature ionic liquids(RTILs) with dispersed carbon pieces exhibit distinctive physiochemical properties. To explore the molecular mechanism, RTILs/carbon pieces mixture was investigated by molecular dynamics(MD) simulation in this work. Rigid and flexible carbon pieces in the form of graphene with different thicknesses and carbon nanotubes in different sizes were dispersed in a representative RTIL 1-butyl-3-methyl-imidazolium dicyanamide([Bmim][DCA]). This study demonstrated that the diffusion coefficients of RTILs in the presence of flexible carbons are similar to those of bulk RTILs at varying temperatures, which is in contrast to the decreased diffusion of RTILs in the presence of rigid carbons. In addition, interfacial ion number density at rigid carbon surfaces was higher than that at flexible ones, which is correlated with the accessible external surface area of carbon pieces. The life time of cation-anion pair in the presence of carbon pieces also exhibited a dependence on carbon flexibility. RTILs with dispersed rigid carbon pieces showed longer ion pair life time than those with flexible ones, in consistence with the observation in diffusion coefficients. This work highlights the necessity of including the carbon flexibility when performing MD simulation of RTILs in the presence of dispersed carbon pieces in order to obtain the reliable dynamical and interfacial structural properties. | Guang Feng Wei Zhao Peter T.Cummings Song Li | 2016 | Science China Chemistry2016，59，5： | 2 |
| 20 | Ten-Microsecond Molecular Dynamics Simulation of a Fast-Folding WW Domain显示文摘 | Peter L. Freddolino Feng Liu Martin Gruebele Klaus Schulten | 2008 | Biophysical Journal2008，，10： | 2 |
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