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| 1 | Four Methods to Estimate Minimum Miscibility Pressure of CO2-Oil Based on Machine Learning显示文摘Summary of main observation and conclusion CO2 flooding accounts for a considerable proportion in gas flooding.Using CO2 as a gas displacement agent is benefit for enhanced oil recovery(EOR),and the alleviation of the greenhouse effect by the permanent storage of CO2 in the crust.Minimum miscibility pressure(MMP)of CO2-oil is a key factor affecting EOR,which determines the yield and economic benefit of crude oil recovery.Therefore,it is of great importance to use fast,accurate and cheap prediction methods for MMP estimation.In the present study,to evaluate the reliability of four recently developed prediction models based on machine learning(i.e.,neural network analysis(NNA),genetic function approximation(GFA),multiple linear regression(MLR),partial least squares(PLS)),136 sets of data are selected for calculation via outlier analysis from 147 sets of data.Afterwards,we compared the four models with existing prediction models from the literature.The analysis of correlation coefficients and multiple error functions shows that the four models can solve the MMP prediction problem well,and the model using intelligent algorithm has a higher prediction accuracy than the simple linear model.Besides,intelligent methods based on similarity algorithm have little difference from each other.Finally,a sensitivity analysis was conducted. | Ding Li Xiangliang Li Yinghua Zhang Lixin Sun Shiling Yuan | 2019 | Chinese Journal of Chemistry2019，37，12： | 4 |
| 2 | Ultrasensitive detection of aliphatic nitro-organics based on“turn-on”fluorescent sensor array显示文摘The broad class of explosives includes nitro aromatics as well as challenging aliphatic nitro-organics whose detection is important from counter-terrorism and national security perspectives.Here we report a turn-on fluorescent sensor array based on aggregation-induced emission(AIE)fluorophores as receptors.To achieve a good sensing system with fast response,good sensitivity and low detection limit,three receptors with abundant chemical diversities for target analytes were synthesized.The turn-on response of the individual receptor showed highly variable and cross-reactive analyte-dependent changes in fluorescence.The excellent ability to identify a variety of explosives,especially the challenging aliphatic nitro-organics(2,3-dimethyl-2,3-dinitrobutane(DMNB),1,3,5-trinitro-1,3,5-triazinane(RDX),cyclotetramethylene tetranitramine(HMX)and entaerythritol tetranitrate(PETN)),was demonstrated in qualitative and quantitative analyses with 100%accuracy.The fluorescence signal amplification in the presence of explosives allows for application of these receptors in a sensor microarray suitable for high-throughput screening.These results suggested that the cross-reactive sensor array based on AIE fluorophores could find a wide range of applications for sensing various analytes or complex mixtures. | Chen Wang Heng Zhang Li Tian Wei Zhu Yue Lan Jian Li Hui Wang Guanxin Zhang Deqing Zhang Shiling Yuan Guangtao Li | 2016 | Science China Chemistry2016，59，1： | 2 |
| 3 | Properties of a water layer on hydrophilic and hydrophobic self-assembled monolayer surfaces: A molecular dynamics study显示文摘The microscopic behaviors of a water layer on different hydrophilic and hydrophobic surfaces of well ordered self-assembled monolayers (SAMs) are studied by molecular dynamics simulations. The SAMs consist of 18-carbon alkyl chains bound to a silicon(111) substrate, and the characteristic of its surface is tuned from hydrophobic to hydrophilic by using different terminal functional groups ( CH 3 , COOH). In the simulation, the properties of water membranes adjacent to the surfaces of SAMs were reported by comparing pure water in mobility, structure, and orientational ordering of water molecules. The results suggest that the mobility of water molecules adjacent to hydrophilic surface becomes weaker and the molecules have a better ordering. The distribution of hydrogen bonds indicates that the number of water-water hydrogen bonds per water molecule tends to be lower. However, the mobility of water molecules and distribution of hydrogen bonds of a water membrane in hydropho- bic system are nearly the same as those in pure water system. In addition, hydrogen bonds are mainly formed between the hydroxyl of the COOH group and water molecules in a hydrophilic system, which is helpful in understanding the structure of interfacial water. | LI EnZe DU ZhiPing YUAN ShiLing | 2013 | Science China Chemistry2013，56，6： | 2 |
| 4 | Molecular simulation studies on the interaction between different polymers in aqueous solution 显示文摘 | Yuan Shiling Xu Guiying Cai Zhengting | 2003 | Original Contribution2003，281，： | 1 |
| 5 | Comparative studies of structurally similar surfactants: sodium bis (2- ethylhexyl ) phosphate and sodium bis ( 2-ethylhexyl ) sulfosueeinate 显示文摘 | Luan Yuxia Xu Guiying Yuan Shiling | 2002 | Langmuir2002，18，： | 1 |
| 6 | Moisture electricity generation:Mechanisms,structures,and applications显示文摘With the increasing concern of energy crisis and global warming,the whole globe is in an urgent need to develop clean energy that comes from renewable sources and does not harm the environment to fulfill the carbon neutralization and green earth commitments.Water is the most abundant substance on earth and has been historically used as the major energy carriers in watermill,water wheel,hydroelectricity.Moisture electricity generation is another emerging technology that can convert lowgrade energy in the widely-accessible moisture to electricity simply by the integration of moisture,electrodes,deliberatelydesigned hygroscopic films.Recent research on moisture electricity generators(MEGs)led to the creation of a series of selfpowered sensors and in some occasions they have replaced conventional batteries to power miniaturized devices.In this review,the basic mechanisms of MEGs are firstly clarified,three categories of them,i.e.,gradient structure,homogeneous structure,and heterogeneous structure depending on the structure of hygroscopic films,are then introduced.Furthermore,recent advances in the fabrication,characteristics,performance of MEGs are summarized,MEGs with continuous or transient output that could be applied in self-powered sensors and power sources are discussed.Finally,some remaining challenges and our perspectives on MEGs are highlighted. | Quanmao Wei Wenna Ge Zichao Yuan Shixu Wang Chenguang Lu Shile Feng Lei Zhao Yahua Liu | 2023 | Nano Research2023，16，5： | 1 |
| 7 | A comparative study of QoS routing schemes that tolerate imprecise state information显示文摘 | Xin Yuan Wei Zheng Shiling Ding | 2002 | Proceedings of 11th international conference on computer communications and networks2002，10，： | 1 |
| 8 | Reconstructing the food structure of ancient coastal inhabitants from Beiqian village:Stable isotopic analysis of fossil human bone显示文摘The Beiqian site located in Jimo city,Qingdao,a few kilometers from the modern coastline was excavated in 2007,2009 and 2011.A large number of human bones from the early Dawenkou period were unearthed.Through C and N stable isotopic analysis,the food structure of the 'Beiqian' ancestors was reconstructed and the influence of terrestrial and marine resources on their lifestyle was discussed.Based on the δ13C and δ15N stable isotopic values of human bone collagen,the analytical results obtained through a ternary mixed model reveal that the food sources of the Beiqian ancestors included about 44.1% marine species(probably shellfish and fish),34.1% C4 plants(possibly millet),and 21.8% land animals.These results indicate that they lived mainly from fishing and farming,supplemented by hunting or poultry raising.Compared with other sites in the same period,the stable isotope results show that 5000-6000 years ago,the lifestyles of ancestors in the Yangtze River basin,Yellow River basin,Northern coastal area and inland area were very different.The ancestors from the Yangtze River basin focused on rice farming and fishing,whereas the ancestors in the Yellow River basin farmed millet and raised animals.Those in coastal areas relied mostly on farming and marine fishing. | WANG Fen FAN Rong KANG HaiTao JIN GuiYun LUAN FengShi FANG Hui LIN YuHai YUAN ShiLing | 2012 | Chinese Science Bulletin2012，57，17： | 1 |
| 9 | Mesoscopic simu lation study on phase diagram of the system oil/water/aerosol OT显示文摘 | Yuan Shiling Cai Zhengting Xu Guiying | 2002 | Chemical Physics Letters2002，365，34： | 1 |
| 10 | C and N stable isotope analysis of human and animal bones at the Beiqian site显示文摘The Beiqian site,located in Jimo city,Qingdao,went through three archaeological excavations,and a large number of human and animal bones in the Dawenkou culture and the Zhou Dynasty period were unearthed.By carbon and nitrogen stable isotope analysis,the diet of ancestors is expected to be recovered,and the domesticated plants and animals will be discussed.The investigated results showed that the food structure of ancestors in both periods included food crops,mainly C4 foods,and meat,mainly marine shellfish and livestock.For domestic pigs,they mainly eat C3 plants,and were affected by the lifestyle of ancestors.This study also showed that the diet of ancestors is the shellfish rather than marine fish despite the Beiqian site is located near the shoreline.We can conclude that the diet of ancestors in Dawenkou culture period included millet crops(C4plants),shellfish,marine food,and livestock,representing the lifestyle of farming,domestication,and fishing,supplemented by hunting.In the Zhou dynasty period the meat resource was enriched by domesticated animals and marine fisheries,and the living conditions were significantly improved. | WANG Fen SONG YanBo LI BaoShuo FAN Rong JIN GuiYun YUAN ShiLing | 2014 | Science China Earth Sciences2014，57，3： | 1 |
| 11 | Molecular dynamics simulations of AOT at isooctane/water interface 显示文摘 | Chen Yijian Xu Guiying Yuan Shiling | 2006 | Colloids Surf A2006，273，： | 1 |
| 12 | Mesoscopic simulation study on phase diagram of the system oil/water/aerosol OT 显示文摘 | Yuan Shiling Cai Zhengting Xu Guiying | 2002 | Chemical Physics Letters2002，365，34： | 1 |
| 13 | Interaction between dodecyl oxypropyl β-hydroxyltrimethylammonium bromide and Xanthan:MesoDyn simulation and binding isotherm measurements显示文摘MesoDyn density functional simulation method is used to study the interactions between dodecyl oxypropyl β-hydroxyltrimethylammonium bromide (C12NBr) and Xanthan (XC). The micro dynamic process of aggregate formation and the aggregate morphology are reported. Interaction between XC and nonyphenyloxypropyl β-hydroxyltrimethylammonium bromide (C9phNBr) is compared with that between XC and C12NBr. Simulation results show that the aggregate morphology of XC/C12NBr and XC/C9phNBr is of rod-like shape with helix characteristic. The binding of C9phNBr to XC is more difficult than that of C12NBr to XC. In addition, three stages for the dynamic evolution of surfactant binding to XC are observed. The simulation results agree with binding isotherms of C9phNBr (C12NBr) to XC obtained via the potentiometric titration method, which shows a typical cooperative binding between C9phNBr (C12NBr) and XC. | LI YiMing XU GuiYing CHEN AiMin DONG ShuLi YUAN ShiLing | 2007 | Chinese Science Bulletin2007，52，19： | 0 |
| 14 | Atomistic Insights into Oxidation of Chemical Passivated Silicon(100)Surface:Reactive Molecular Dynamic Simulations显示文摘Main observation and conclusion In this paper,a series of ReaxFF molecular dynamic simulations were performed to study the oxidation of chemical passivated silicon(100)surface,which was terminated with different n-alkyl chains.The simulated results showed that the oxidant species diffuse into Si substrate through peroxy-like structures during the oxidation process.During the oxidation process,the Si-alkyl(Si-C)covalent bond was stable and there is no occurrence of decomposition of the n-alkyl chains.In addition,the existence of n-alkyl monolayers on silicon surface did not change the initial reaction pathway of the oxidation process.The simulations indicated that the chemical passivation mechanism includes two parts,one is about the Si-C covalent bond occupying the active site of the reaction on Si(100)surface,and the other is about the oxygen penetrating Si-alkyl layers.The simulations also indicated that the chemical passivation of Si-alkyl is better for longer alkyl chains,which is consistent with the experimental observation.Our results have investigated the oxidation of chemical passivated silicon(100)surface at the atom level,which is helpful to comprehend the manufacture of semiconductor devices like metal-oxide-semiconductor(MOS)devices in the experiments. | Shideng Yuan Xueyu Wang Heng Zhang Shiling Yuan | 2021 | Chinese Journal of Chemistry2021，39，4： | 0 |
| 15 | Notoginsenoside Ft1 inhibits colorectal cancer growth by increasing CD8+T cell proportion in tumor-bearing mice through the USP9X signaling pathway显示文摘The management of colorectal cancer(CRC)poses a significant challenge,necessitating the development of innovative and effective therapeutics.Our research has shown that notoginsenoside Ft1(Ng-Ft1),a small molecule,markedly inhibits subcutaneous tumor formation in CRC and enhances the proportion of CD8+T cells in tumor-bearing mice,thus restraining tumor growth.Investigation into the mechanism revealed that Ng-Ft1 selectively targets the deubiquitination enzyme USP9X,undermining its role in shieldingβ-catenin.This leads to a reduction in the expression of downstream effectors in the Wnt signaling pathway.These findings indicate that Ng-Ft1 could be a promising small-molecule treatment for CRC,working by blocking tumor progression via the Wnt signaling pathway and augmenting CD8^(+)T cell prevalence within the tumor environment. | FENG Yutao LI Yuan MA Fen WU Enjiang CHENG Zewei ZHOU Shiling WANG Zhengtao YANG Li SUN Xun ZHANG Jiwei | 2024 | Chinese Journal of Natural Medicines2024，22，4： | 0 |
| 16 | Bionic superhydrophobic surfaces based on topography of copper oxides显示文摘Superhydrophobic surfaces(SHSs)exist in many biological organisms endowed by spectacular surface topographies,which provide important insights to drive a paradigm shift in design of engineering surfaces.Based on this,extensive progresses have been developed on bionic superhydrophobic strategies.Among them,SHSs based on topography of copper oxides exhibit considerable application prospects because of the steerability and diversity of topography,as well as additional performances,such as antibiosis,anticorrosion and catalysis.We first present a brief overview of the discovery of natural SHSs as well as fundamental understanding of surface wetting performance.Then,the structural effects in superhydrophobic systems based on the topographies of biological organisms and copper oxides are described.Finally,we highlight the perspectives on the novel design strategies of copper oxide‐based SHSs that adapt to various practical applications. | Chen Chen Haiyang Zhan Xiangge Bai Zichao Yuan Lei Zhao Yahua Liu Shile Feng | 2022 | Biosurface and Biotribology2022，8，3： | 0 |
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