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| 1 | Electronic structures of the oxygenated diamond (100) surfaces显示文摘By means of first principles method on the basis of density functional theory (DFT), the equi- librium geometries and density of states (DOS) of the two oxygenated diamond (100) surfaces, bridging model and on-top model are calculated. The results indicate that there are no surface states located in the band gap of the bridging model of oxygenated dia- mond (100) surface, and the occupied surface states in the valence band are attributed to the non-bonded O 2p orbital, O 2p and C 2p bonding orbitals, and C 2p and H 1s bonding orbitals. By contrast, for the on-top model of oxygenated diamond (100) surface, the unoccupied surface states exist in the band gap, which originate from non-bonded C 2p and O 2p or- bitals. In addition, the occupied surface states in the valence band are induced by non-bonded O 2p or- bital and the C==O π bond. | LIU Fengbin WANG Jiadao LIU Bing LI Xuemin CHEN Darong | 2006 | Chinese Science Bulletin2006，51，20： | 3 |
| 2 | Sunway supercomputer architecture towards exascale computing:analysis and practice显示文摘In recent years,the improvements of system performance and energy efficiency for supercomputers have faced increasing challenges,which create more intensive demands on the architecture design for realizing exascale computing.This paper first analyzes the main requirements of exascale computing on the aspects of the parallel computing application and supercomputing center operation.Afterwards,a mapping scheme of'demands-challenges-architecture'is proposed.Then,the major challenges of exascale supercomputer,such as scalability,power consumption,data movement,programming and availability,are thoroughly analyzed,and the corresponding appropriate solutions are proposed.Moreover,this paper proposes the Sunway computer architecture towards exascale computing in which the many-core processor,network chipset and software system are all domestically-designed.The technology roadmap of Sunway supercomputer will hold the comprehensive design methods for the architecture,including the processor,interconnect network,assembly structure,power supply,cooling system,system software,parallel algorithm and application support,promising great advances for exascale supercomputing. | Jiangang GAO Fang ZHENG Fengbin QI Yajun DING Hongliang LI Hongsheng LU Wangquan HE Hongmei WEI Lifeng JIN Xin LIU Daoyong GONG Fei WANG Yan ZHENG Honghui SUN Zhou ZHOU Yong LIU Hongtao YOU | 2021 | Science China(Information Sciences)2021，64，4： | 3 |
| 3 | Treatment of constipation-predominant irritable bowel syndrome by focusing on the liver in terms of Traditional Chinese Medicine:a meta-analysis显示文摘OBJECTIVE:To assess the efficacy of Traditional Chinese Medicine(TCM)on constipation-predominant irritable bowel syndrome by focusing on the liver.METHODS:Databases(domestic and foreign)were searched with the key words'irritable bowel syndrome','constipation',and'Chinese medicine';the relevant articles were retrieved and evaluated.Cure rate,'remarkable efficacy',recurrence rate and the incidence of adverse reactions were the outcome indicators.Review Manager ver 5.1 was used for this meta-analysis,and funnel plots used to detect publication bias.RESULTS:Nineteen randomized controlled trials were included and 1510 patients involved.The treatment guided byTCM based on the liver was superior to Western Medicine[odds ratio(OR)=2.46,95%confidence interval(CI)1.80,3.35)],cure rate[OR=2.61,95%CI(1.93,3.52)],remarkable efficacy[OR=2.68,95%CI(1.82,3.95)],recurrence rate[OR=0.19,95%CI(0.12,0.29)]and the incidence of adverse reactions[OR=0.24,95%CI(0.09,0.65)].However,funnel plots showed publication bias.CONCLUSION:Compared with Western Medicine,the treatment of IBS-C based on the liver is significantly better but the results must be treated with caution because publication bias was recorded. | Qianwen Li Fengbin Liu Zhengkun Hou Di Luo | 2013 | Journal of Traditional Chinese Medicine2013，33，5： | 3 |
| 4 | Electronic Structure and Physical Characteristics of Dioxin Under External Electric Field显示文摘Dioxin is a highly toxic and caustic substance,which widely existed in the atmosphere,soil and water with tiny particles.Dioxin pollution has become a major problem that concerns the survival of mankind,which must be strictly controlled.The bond length,bond angle,energy,dipole moment,orbital energy level distribution of dioxin under the external field are investigated using DFT(density functional theory)on basis set level of B3LYP/6-31G(d,p).The results indicate that with the increase of the electric field,the length of one Carbon-Oxygen bond increases while another Carbon-Oxygen bond decreases.The energy gradually decreases with the electric field,while the change of the dipole moment has an opposite trend.In the infrared spectra,the vibration frequency decreases with the electric field increasing and shows an obvious red shift.Moreover,the ultraviolet-visible absorption spectra under different electric fields are analyzed with TD-DFT(time-dependent density functional theory)method.The wavelength of the strongest absorption peak increases and occurs red shift with the increase of the electric field.All the above results can provide reference for further research on the properties of dioxin under different external electric field. | Wenyi Yin Xiangyun Zhang Bumaliya Abulimiti Yuzhu Liu Yihui Yan Fengbin Zhou Feng Jin | 2018 | Computers, Materials & Continua2018，，4： | 2 |
| 5 | Equilibrium geometric structure and electronic properties of Cl and H_2O co-adsorption on Fe(100) surface显示文摘Based on the first principles density functional theory,the equilibrium geometric structure and surface electronic properties of Cl and H2O co-adsorption on the Fe(100) surface are investigated.The results indicate that the optimal adsorption site for Cl and H2O co-adsorption on the Fe(100) surface is the location of Cl at the bridge site and H2O at the top site.Compared with the Fe(100)/H2O adsorption system,remarkable changes in geometric structure and electronic properties occur,owing to the presence of Cl in the Fe(100)/(H2O+Cl) adsorption system.The analysis of equilibrium geometric structure and surface electronic properties shows that the presence of Cl in the Fe(100)/(H2O+Cl) adsorption system unstablizes the Fe surface,making it easy to lose electrons. | ZHAO Wei WANG JiaDao LIU FengBin CHEN DaRong | 2009 | Chinese Science Bulletin2009，54，8： | 2 |
| 6 | Effects of the surface-adsorption of boron-doped diamond electrode on its electrochemical behavior显示文摘To elucidate the effects of the hydro- genation and oxygenation of the boron-doped dia- mond (BDD) electrode on its electrochemical behav- iors, the surface morphologies and phases of the two surface-adsorption BDD films have been investigated and the cyclic voltammograms and AC impedance spectra have been measured at these two BDD electrodes. The results indicate that compared with the hydrogen-adsorption BDD film, oxygen-adsor- ption BDD film is less conductive, and has a larger surface roughness and a lower sp3/sp2 ratio. The oxygenated BDD film electrode possesses a wider electrochemical window, larger diamond film resis- tance and capacitance and a larger polarization re- sistance than hydrogenated BDD electrode. In addi- tion, the effect mechanism of the surface-adsorption of BDD electrode on its electrochemical behaviors has been discussed. | LIU Fengbin LI Xuemin WANG Jiadao LIU Bing CHEN Darong | 2006 | Chinese Science Bulletin2006，51，15： | 1 |
| 7 | Double core-shell nanostructured Sn-Cu alloy as enhanced anode materials for lithium and sodium storage显示文摘Sn-based alloy materials are considered as a promising anode candidate for lithium-ion batteries(LIBs)and sodium-ion batteries(SIBs),whereas they suffer from severe volume change during the discharge/charge process.To address the issue,double core-shell structured Sn-Cu@SnO2@C nanocomposites have been prepared by a simple co-precipitation method combined with carbon coating approach.The double core-shell structure consists of Sn-Cu multiphase alloy nanoparticles as the inner core,intermediate SnO2 layer anchored on the surface of Sn-Cu nanoparticle and outer carbon layer.The Sn-Cu@SnO2@C electrode exhibits outstanding electrochemical perfor-mances,delivering a reversible capacity of 396 mA·h·g^-1 at 100 mA·g^-1 after 100 cycles for LIBs and a high initial reversible capacity of 463 mA·h·g^-1 at 50 mA·g^-1 and a capacity retention of 86% after 100 cycles,along with a remarkable rate capability(193 mA·h·g^-1 at 5000 mA·g^-1)for SIBs.This work provides a viable strategy to fabricate double core-shell structured Sn-based alloy anodes for high energy density LIBs and SIBs. | Luoyang LI Tian CHEN Fengbin HUANG Peng LIU Qingrong YAO Feng WANG Jianqiu DENG | 2020 | Frontiers of Materials Science2020，14，2： | 1 |
| 8 | Role of miR-19a targeting TNF-α in mediating ulcerative colitis显示文摘 | Bin Chen Shifeng She Detang Li Zhihui Liu Xiaojun Yang Zhirong Zeng Fengbin Liu | 2013 | Scandinavian Journal of Gastroenterology2013，，7： | 1 |
| 9 | Light interception and radiation use efficiency response to narrow-wide row planting patterns in maize显示文摘 | Liu Tiedong Song Fengbin Liu Shengqun Zhu Xiancan | 2012 | EN2012，，3： | 1 |
| 10 | Efficacy of active ingredients in Qingdai(Indigo Naturalis)on ulcerative colitis:a network pharmacology-based evaluation显示文摘OBJECTIVE:To elucidate the protective effect of Qingdai(Indigo Naturalis,QD)on ulcerative colitis(UC)by means of in silico and in vivo approaches.METHODS:A systems pharmacology analysis was performed to predict the active components of QD whereas the putative biological targets of QD against UC were obtained through target fishing,network cons-truction and enrichment analyses.Meanwhile,we examined the ameliorative effect of QD in a mouse model of dextran sulfate sodium(DSS)-induced colitis.During the 10-day experiment,the control and diseased mice were given with oral gavages of QD(1.3 g raw herbs·kg^(-1)·d^(-1))or 5-aminosalicylic acid(5-ASA,100 mg·kg^(-1)·d^(-1))every day.The underlying pharma-cological mechanisms of QD in UC were determined using polymerase chain reaction tests,histological staining,enzyme-linked immunoassays,and Western blotting analysis.RESULTS:Searching from various network pharmacology databases,29 compounds were identified in QD.According to the screening criteria suggested by TCMSP(i.e.OB≥30%and DL≥0.18),nine of them were considered the active ingredients that contribute to the ameliorative effects of QD on different mouse models of colitis.Most importantly,the protective effect of QD on DSS-induced colitis was significantly associated with modulations of the expression levels of glycogen synthase kinase 3-β(Gsk3-β)and forkhead box p3(Foxp3),which are widely considered as important regulators of excessive inflammatory responses.CONCLUSIONS:The results of this study provide solid scientific evidence for the use of QD or its core active components in the clinical management of UC. | LI Yue WEN Shuting ZHAO Runyuan FAN Dongmei ZHAO Dike LIU Fengbin MI Hong | 2023 | Journal of Traditional Chinese Medicine2023，43，1： | 1 |
| 11 | The dual role of ubiquitin-like protein Urm1 as a protein modifier and sulfur carrier显示文摘The ubiquitin-related modifier Urm1 can be covalently conjugated to lysine residues of other proteins,such as yeast Ahp1 and human MOCS3,through a mechanism involving the E1-like protein Uba4(MOCS3 in humans).Similar to ubiquitination,urmylation requires a thioester intermediate and forms isopeptide bonds between Urm1 and its substrates.In addition,the urmylation process can be significantly enhanced by oxidative stress.Recent findings have demonstrated that Urm1 also acts as a sulfur carrier in the thiolation of eukaryotic tRNA via a mechanism that requires the formation of a thiocarboxylated Urm1.This role is very similar to that of prokaryotic sulfur carriers such as MoaD and ThiS.Evidence strongly supports the hypothesis that Urm1 is the molecular fossil in the evolutionary link between prokaryotic sulfur carriers and eukaryotic ubiquitin-like proteins.In the present review,we discuss the dual role of Urm1 in protein and tRNA modification. | Fengbin Wang Meiruo Liu Rui Qiu Chaoneng Ji | 2011 | Protein & Cell2011，2，8： | 0 |
| 12 | In-situ construction of Co(OH)_(2) nanoparticles decorated biochar for highly efficient degradation of tetracycline hydrochloride via peracetic acid activation显示文摘Peracetic acid(CH_(3)C(O)OOH,PAA)-based heterogeneous advanced oxidation process(AOP)has attacked intensive interests due to production of various reactive species.Herein,Co(OH)_(2)nanoparticles decorated biochar(Co(OH)_(2)/BC)was fabricated by a simple and controllable method,which was used to degrade tetracycline hydrochloride(TTCH)in water through PAA activation.The results indicated that 100%TTCH(C_(0)=10μmol/L)degradation efficiency was realized within 7 min at pH 7,with a high kinetic rate constant(k_(1))of 0.64 min^(-1)by the optimized Co(OH)_(2)/BC.Material characterizations suggested that Co(OH)_(2)nanoparticle was successfully decorated on biochar,leading to more active sites and electronic structure alteration of biochar,thus greatly promoting the catalytic cleavage of PAA for radicals production.Then,the reactive oxygen species(ROS)quenching experiments and electron paramagnetic resonance(EPR)analysis demonstrated the key species were alkoxyl radicals(R–O^(·),mainly CH_(3)CO_(2)^(·)and CH_(3)CO_(3)^(·)),HO^(·)and^(1)O_(2)in this system.Besides,density functional theory(DFT)calculation on Fukui index further revealed that the vulnerable sites of TTCH and three possible degradation pathways were proposed.This study can provide a new strategy for synthesis functional materials in PAA activation AOPs for removal of antibiotics in water. | Fengbin Sun Xudong Yang Feng Shao Fan Li Zhicheng Pan Lin Qiao Ziniu Xiao Wen Liu | 2023 | Chinese Chemical Letters2023，34，9： | 0 |
| 13 | Device performance limit of monolayer SnSe_(2) MOSFET显示文摘Two-dimensional(2D)semiconductors are attractive channels to shrink the scale of field-effect transistors(FETs),and among which the anisotropic one is more advantageous for a higher on-state current(I_(on)).Monolayer(ML)SnSe_(2),as an abundant,economic,nontoxic,and stable two-dimensional material,possesses an anisotropic electronic nature.Herein,we study the device performances of the ML SnSe_(2) metal-oxide-semiconductor FETs(MOSFETs)and deduce their performance limit to an ultrashort gate length(L_(g))and ultralow supply voltage(V_(dd))by using the ab initio quantum transport simulation.An ultrahigh I_(on) of 5,660 and 3,145µA/µm is acquired for the n-type 10-nm-L_(g) ML SnSe_(2) MOSFET at V_(dd)=0.7 V for high-performance(HP)and low-power(LP)applications,respectively.Specifically,until L_(g) scales down to 2 and 3 nm,the MOSFETs(at V_(dd)=0.65 V)surpass I_(on),intrinsic delay time(τ),and power-delay product(PDP)of the International Roadmap for Device and Systems(IRDS,2020 version)for HP and LP devices for the year 2028.Moreover,the 5-nm-L_(g) ML SnSe_(2) MOSFET(at V_(dd)=0.4 V)fulfills the IRDS HP device and the 7-nm-L_(g) MOSFET(at V_(dd)=0.55 V)fulfills the IRDS LP device for the year 2034. | Hong Li Jiakun Liang Qida Wang Fengbin Liu Gang Zhou Tao Qing Shaohua Zhang Jing Lu | 2022 | Nano Research2022，15，3： | 0 |
| 14 | Compari ng the con figured causal antecedents of exploration and exploitation: a fuzzy set qualitative comparative analysis显示文摘Although exploration and exploitation, as a pair of paradoxical organizational outcomes, are generated by different causal conditions, the conjunction of their respective causal antecedents has yet to be fully examined. Combining environmental uncertainty, unit interdependence, entrepreneurial bricolage and firm life cycle stage in a qualitative comparative analysis (QCA), the distinct causal configurations of exploration and exploitation are formalized and compared based on a survey of founders or high-level managers in 63 small firms. Results show that contrasted relationships between entrepreneurial bricolage and unit interdependenee exist in that the two antecedents are partial substitutes in exploration whereas they are complements in exploitation when combined with other conditions. This study provides empirical evidence on the causal configurations of exploration and exploitation and deepens our current understanding of ambidexterity. | Lulu Liu Fengbin Wang Xiukun Li | 2019 | Frontiers of Business Research in China2019，13，1： | 0 |
| 15 | High active amorphous Co(OH)_(2) nanocages as peroxymonosulfate activator for boosting acetaminophen degradation and DFT calculation显示文摘Acetaminophen(ACE)is commonly used in analgesic and antipyretic drug,which is hardly removed by traditional wastewater treatment processes.Herein,amorphous Co(OH)_(2)nanocages were explored as peroxymonosulfate(PMS)activator for efficient degradation of ACE.In the presence of amorphous Co(OH)_(2)nanocages,100%of ACE removal was reached within 2 min with a reaction rate constant k_(1)=3.68 min 1 at optimum pH 5,which was much better than that of crystallineβ-Co(OH)_(2)and Co_(3)O_(4).Amorphous materials(disorder atom arrangement)with hollow structures possess large specific surface area,more reactive sites,and abundant vacancies structures,which could efficiently facilitate the catalytic redox reactions.The radicals quenching experiment demonstrated that SO_(4)^(·-)radicals dominated the ACE degradation rather than^(·)OH radicals.The mechanism of ACE degradation was elucidated by the an alysis of degradation in termediates and theoretical calculation,indicating that the electrophilic SO_(4)^(·-)and^(·)OH tend to attack the atoms of ACE with high Fukui index(f).Our finding highlights the remarkable advantages of amorphous materials as heterogeneous catalysts in sulfate radicals-based AOPs and sheds new lights on water treatment for the degradation of emerging organic contaminants. | Juanjuan Qi Juzhe Liu Fengbin Sun Taobo Huang Jun Duan Wen Liu | 2021 | Chinese Chemical Letters2021，32，5： | 0 |
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