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The role of externally-modulated electrostatic interactions in amplifying charge transport across lysine-doped peptide junctions

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Chinese Chemical Letters 2023年第3期34卷 254-258页

作者： Xiaobing Li Pierre-Andre Cazade Pan Qi Damien Thompson Cunlan Guo College of Chemistry and Molecular Sciences Wuhan UniversityWuhan 430072China Department of Physics Bernal InstituteUniversity of LimerickLimerick V94 T9PXIreland

Many evolved biomolecular functions such as ion pumping or redox catalysis rely on controlled charge transport through the polypeptide matrix, which can be regulated by shifts in molecular protonation states and dependent supramolecular packing modes in response to environmental cues. However, the exact roles of such dynamic, non-covalent interactions in peptide charge transport have remained elusive. To tackle this challenge, here we report the modulation of charge transport in a series of lysine(Lys)-substituted hepta-glycine(Gly) peptide self-assembled monolayers(SAMs) on template-striped gold(Au^(TS)) bottom electrodes with eutectic gallium-indium(EGaIn) liquid metal top electrodes. We demonstrate systematic modulation of hydrogen bonding and more general electrostatic interactions by shifting the position of the charged Lys-residue and creating different protonation patterns by changing the environmental pH in the Au^(TS)/peptide//Ga Ox/EGa In junctions. The effective modulation is evidenced by current density-voltage(J-V) measurements combined with SAM characterization using ultraviolet photoelectron spectroscopy(UPS) and angle-resolved X-ray photoelectron spectroscopy(ARXPS), polarization modulation-infrared reflection-absorption spectroscopy(PM-IRRAS), and molecular dynamics(MD) simulations. Decreasing the hydrogen bonding inside the peptide SAMs and increasing the electrostatic interactions by environmental counterions amplifies the charge transport differently with Lys-position, which means that the sensitive electrical response of peptide SAMs can be tuned by the peptide sequence. Our results provide insights into the relationship between molecular design and in situ modulation of charge transport properties for the development of bionanoelectronics.

关键词： Bioelectronics and biosensors Charge transport linear peptide Protonation Self-assembled monolayer

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Effect of titanium on the sticking of pellets based on hydrogen metallurgy shaft furnace:Behavior analysis and mechanism evolution

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International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 282-291页

作者： Jinge Feng Jue Tang Zichuan Zhao Mansheng Chu Aijun Zheng Xiaobing Li Xiao’ai Wang School of Metallurgy Northeastern UniversityShenyang 110819China Institute for Frontier Technologies of Low-carbon Steelmaking Northeastern UniversityShenyang 110819China liaoning Low-carbon Steelmaking Technology Engineering Research Center Northeastern UniversityShenyang 110819China Engineering Research Center of Frontier Technologies for Low-carbon Steelmaking(Ministry of Education Shenyang 110819China Zhang Xuan Technology of HBIS Group Co. Ltd.Shijiazhuang 050000China Xuanhua Iron and Steel Group Co. Ltd.Shijiazhuang 050000China Iron and Steel Research Institute of HBIS Group Co. Ltd.Shijiazhuang 050000China

Direct reduction based on hydrogen metallurgical gas-based shaft furnace is a promising technology for the efficient and low-carbon smelting of vanadium-titanium magnetite.However,in this process,the sticking of pellets occurs due to the aggregation of metal-lic iron between the contact surfaces of adjacent pellets and has a serious negative effect on the continuous operation.This paper presents a detailed experimental study of the effect of TiO2 on the sticking behavior of pellets during direct reduction under different conditions.Results showed that the sticking index(SI)decreased linearly with the increasing TiO2 addition.This phenomenon can be attributed to the increase in unreduced FeTiO3 during reduction,leading to a decrease in the number and strength of metallic iron interconnections at the sticking interface.When the TiO2 addition amount was raised from 0 to 15wt%at 1100°C,the SI also increased from 0.71%to 59.91%.The connection of the slag phase could be attributed to the sticking at a low reduction temperature,corresponding to the low sticking strength.Moreover,the interconnection of metallic iron became the dominant factor,and the SI increased sharply with the increase in re-duction temperature.TiO2 had a greater effect on SI at a high reduction temperature than at a low reduction temperature.

关键词： titanium sticking index hydrogen metallurgy direct reduction pellets

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Intelligent analysis for software data:research and applications

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Frontiers of Information Technology & Electronic Engineering 2022年第5期23卷 661-663页

作者： Tao ZHANG xiaobing SUN Zibin ZHENG Ge li School of Computer Science and Engineering Macao University of Science and TechnologyMacaoChina School of Information Engineering Yangzhou UniversityYangzhou 225127China School of Software Engineering Sun Yat-sen UniversityZhuhai 519082China School of Computer Science Peking UniversityBeijing 100871China

Over the last few decades,software has been one of the primary drivers of economic growth in the world.Human life depends on reliable software;therefore,the software production process(i.e.,software design,development,testing,and maintenance)becomes one of the most important factors to ensure the quality of software.During the production process,large amounts of software data(e.g.,source code,bug reports,logs,and user reviews)are generated.

关键词： software bug testing

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VulLoc:vulnerability localization based on inducing commits and fixing commits

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Frontiers of Computer Science 2023年第3期17卷 243-245页

作者： lili BO Yue li xiaobing SUN Xiaoxue WU Bin li School of Information Engineering Yangzhou UniversityYangzhou 225127China Key Laboratory of Safety-Critical Software Ministry of Industry and Information TechnologyNanjing University of Aeronautics and AstronauticsNanjing 211106China

1 Introduction Software evolves with the code change,including fixing the vulnerabilities,refactoring the software and adding new functions.Particularly,developers from open-source projects often look for the information of inducing commits when devising the fixing patches of a vulnerability[1].In the process of fixing the current vulnerabilities,it is inevitable to introduce new vulnerabilities.As is shown in Fig.1,after vulnerability1 occurs,developers committed the code changes to fix vulnerability1,but cause vulnerability2.In this paper,commits that introduce new vulnerabilities are called vulnerability-inducing commits,and commits that finally fix the vulnerability are known as vulnerability-fixing commits.In the following,they are abbreviated as vul-inducing commits and vul-fixing commits,respectively.

关键词： functions commit finally

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Influence of mineral species on oil-soil interfacial interaction in petroleum-contaminated soils

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Chinese Journal of Chemical Engineering 2023年第9期61卷 147-156页

作者： Yang Yang Dandan liu Xing liang Xiaobing Li National Center for Coal Preparation and Purification Engineering Research China University of Mining and TechnologyXuzhou 221116China School of Chemical Engineering and Technology China University of Mining and TechnologyXuzhou 221116China

The mineral species in soils vary in a wide variety of places,thus resulting in the petroleumcontaminated soil(PCS)with complex characters.Thus,the research on the effect of mineral species on oil-soil interactions in PCS takes on a critical significance.In this study,the desorption and adsorption behaviors of aromatic hydrocarbons(Ar)on two minerals surfaces were examined.Meanwhile,the interfacial forces between minerals and Ar were studied and the sources of these forces were analyzed.Moreover,molecular dynamics(MD)simulations were conducted to gain insight into the interfacial interaction mechanisms.As revealed by the results of this study,in comparison with Qs-Ar(quartz sand,Qs),Mnt-Ar(montmorillonite,Mnt)contaminants required higher temperature and activation energies for thermal desorption(201.95 kJ·mol^(-1)vs.127.82 kJ·mol^(-1))The above difference was generated since the adhesive forces between Ar and Mnt surfaces were greater than those between Ar and Qs.As indicated by the analysis of the adhesion force sources,the van der Waals forces were responsible for facilitating oil adhesion to mineral surfaces,even though the electrostatic force prevented oil-mineral adhesion.Furthermore,the hydrophobic forces facilitated adhesion in 3 nm.The MD results demonstrated that compared with the Qs system,there existed larger binding energies between Ar and Mnt,a lower diffusion coefficient for Ar on the Mnt surface,as well as more significant adsorption of Ar on Mnt.In general,the different mineral species affect the strength of the interaction at the oil-soil interface,which is a guideline for proposing targeted oil-soil separation measures.

关键词： Oil-soil interface Thermal desorption Isothermal adsorption Extended-DLVO(EDLVO) Molecular dynamics

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Design and synthesis of antiviral pseudo-natural products through effective one-step acylmethylation macrocyclization

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Chinese Journal of Natural Medicines 2023年第10期21卷 721-722页

作者： li Shang WANG xiaobing Jiangsu Key Laboratory of Bioactive Natural Product Research Department of Natural Medicinal ChemistryChina Pharmaceutical UniversityNanjing 210009China

Influenza virus poses a significant threat to global public health,causing serious repercussions on human life and social well-being.Over the past decades,various antiviral drugs targeting either the virus itself or its host were identified.However,the emergence of drug-resistant influenza virus strains has posed a critical challenge to the effectiveness of these existing anti-influenza agents .Consequently,there is an urgent need to develop novel molecules with new chemical frameworks.Macrocyclic natural products serve as a crucial resource for validating targets and discovering lead compounds.However,the number of naturlly crring macrocyclic natural products is limited due to inherent biosynthetic pathways,which restricts the development of macrocyclic drugs.In contrast,artificially synthesized pseudonatural products show enhanced availability and greater structural diversity,while possessing similar biological functions[5]and have attracted significant interest from medicinal chemists.Hence,it is valuable to develop effective synthetic methods to expedite the discovery of macrocyclic lead compounds.

关键词： Natural products C-H activation Macrocyclization H1N1 inhibitors

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STRONG CONVERGENCE OF A FULLY DISCRETE FINITE ELEMENT METHOD FOR A CLASS OF SEMIliNEAR STOCHASTIC PARTIAL DIFFERENTIAL EQUATIONS WITH MULTIPliCATIVE NOISE

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Journal of Computational Mathematics 2021年第4期39卷 574-598页

作者： xiaobing Feng Yukun li Yi Zhang Department of Mathematics The University of TennesseeKnoxvilleTN 37996USA Department of Mathematics University of Central FloridaOrlandoFL 32816USA Department of Mathematics and Statistics The University of North Carolina at GreensboroGreensboroNC 27402USA

This paper develops and analyzes a fully discrete finite element method for a class of semilinear stochastic partial differential equations(SPDEs)with multiplicative noise.The nonlinearity in the diffusion term of the SPDEs is assumed to be globally lipschitz and the nonlinearity in the drift term is only assumed to satisfy a one-sided lipschitz condition.These assumptions are the same ones as the cases where numerical methods for general nonlinear stochastic ordinary differential equations(SODEs)under“minimum assumptions”were studied.As a result,the semilinear SPDEs considered in this paper are a direct generalization of these nonlinear SODEs.There are several difficulties which need to be overcome for this generalization.First,obviously the spatial discretization,which does not appear in the SODE case,adds an extra layer of difficulty.It turns out a spatial discretization must be designed to guarantee certain properties for the numerical scheme and its stiffness matrix.In this paper we use a finite element interpolation technique to discretize the nonlinear drift term.Second,in order to prove the strong convergence of the proposed fully discrete finite element method,stability estimates for higher order moments of the H1-seminorm of the numerical solution must be established,which are difficult and delicate.A judicious combination of the properties of the drift and diffusion terms and some nontrivial techniques is used in this paper to achieve the goal.Finally,stability estimates for the second and higher order moments of the L^(2)-norm of the numerical solution are also difficult to obtain due to the fact that the mass matrix may not be diagonally dominant.This is done by utilizing the interpolation theory and the higher moment estimates for the H1-seminorm of the numerical solution.After overcoming these difficulties,it is proved that the proposed fully discrete finite element method is convergent in strong norms with nearly optimal rates of convergence.Numerical experiment results are also presented to valid

关键词： Stochastic partial differential equations One-sided lipschitz Strong convergence

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Insight into rare-earth-incorporated catalysts:The chance for a more efficient ammonia synthesis

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Journal of Advanced Ceramics 2022年第10期11卷 1499-1529页

作者： Yutong GONG Hongchen li Can li xiaobing BAO Hideo HOSONO Junjie WANG State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China School of Materials Science and Engineering Northwestern Polytechnical UniversityXi’an 710072China Materials Research Center for Element Strategy Tokyo Institute of TechnologyYokohama 226-8503Japan

Recent studies have suggested that rare earth(RE)elements in catalysts significantly influence the performance of the ammonia synthesis.The REs appear in various forms in the ammonia synthesis catalysts including supports(oxides,hydrides,and nitrides),promotors,and intermetallic.Besides the conventional RE oxide-supporting catalysts(mainly Ru/REO),some new RE-containing catalyst systems,such as electrode and nitride systems,could drive the ammonia synthesis via a benign Mars-van Krevelen mechanism or multi-active-site mode,affording high ammonia synthesis performance under mild conditions.These works demonstrate the great potential of RE-containing catalysts for more efficient ammonia synthesis.This review summarizes the contributions of different kinds of RE-based catalysts and highlights the function mechanism of incorporated REs.Finally,an overview of this area and the challenges for further investigation are provided.

关键词： ammonia synthesis rare earth(RE) heterogeneous catalysis mild conditions mechanism

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DNA N^6-methyladenine demethylase ALKBH1 enhances osteogenic differentiation of human MSCs

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Bone Research 2016年第3期4卷 174-182页

作者： Chenchen Zhou Yuting liu Xiaobing Li Jing Zou Shujuan Zou State Key Laboratory of Oral Diseases West China Hospital of StomatologySichuan University

ALKBH1 was recently discovered as a demethylase for DNA N6-methyladenine （N6-mA）, a new epigenetic modification, and interacts with the core transcriptional pluripotency network of embryonic stem cells. However, the role of ALKBH1 and DNA N6-mA in regulating osteogenic differentiation is largely unknown. In this study, we demonstrated that the expression of ALKBH1 in human mesenchymal stem cells （MSCs） was upregulated during osteogenic induction. Knockdown of ALKBH1 increased the genomic DNA N6-mA levels and significantly reduced the expression of osteogenic-related genes, alkaline phosphatase activity, and mineralization. ALKBHl-depleted MSCs also exhibited a restricted capacity for bone formation in vivo. By contrast, the ectopic overexpression of ALKBH1 enhanced osteoblastic differentiation. Mechanically, we found that the depletion of ALKBH1 resulted in the accumulation of N6-mA on the promoter region of ATF4, which subsequently silenced ATF4 transcription. In addition, restoring the expression of ATP by adenovirus-mediated transduction successfully rescued osteogenic differentiation. Taken together, our results demonstrate that ALKBH1 is indispensable for the osteogenic differentiation of MSCs and indicate that DNA N6-mA modifications area new mechanism for the epigenetic regulation of stem cell differentiation.

关键词： ATF Figure MSCs DNA N~6-methyladenine demethylase ALKBH1 enhances osteogenic differentiation of human MSCs

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A novel method for extending the output power back-off range of an asymmetrical Doherty power amplifier

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Frontiers of Information Technology & Electronic Engineering 2023年第3期24卷 470-479页

作者： Mingyu li xiaobing CHENG Zhijiang DAI Kang ZHONG Tianfu CAI Chaoyi HUANG School of Microelectronics and Communication Engineering Chongqing UniversityChongqing 400044China School of Optoelectronic Engineering Chongqing University of Posts and TelecommunicationsChongqing 400065China

A novel method is proposed to extend the output power back-off(OPBO)range of the Doherty power amplifier(DPA).This study reveals that the OPBO range of the DPA can be extended by tuning the output impedance of the peaking stage away from infinity and changing the phase delay of the output matching network of the carrier power amplifier.Based on this theory,a large-OPBO-range high-efficiency asymmetrical DPA working band from 1.55 to 2.2 GHz(35%relative bandwidth)is designed to verify the proposed method.Experimental results show that the DPA operates from 1.6 to 2.1 GHz.The range of the measured efficiency is 42.2%–52.1%in the OPBO state and 47%–62.7%in the saturation state.The OPBO range is 11.1–13.2 dB.

关键词： Doherty power amplifier(DPA) Output power back-off(OPBO) Output impedance Network phase

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