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Quantification of polarization distribution from polarizing light microscopy images of ferroelectric single crystals

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Journal of Materials Science & Technology 2023年第30期161卷 1-9页

作者： Jinhui Fan Xiaoyan Lu Wenwu Cao Functional Materials and Acousto-optic Instruments Institute School of Instrumentation Science and EngineeringHarbin Institute of TechnologyHarbin 150080China School of Civil Engineering Harbin Institute of TechnologyHarbin 150001China Materials Research Institute The Pennsylvania State UniversityUniversity ParkPennsylvania 16802USA

Qualification of polarization can be realized either on a macroscopic scale as an average property by P-E hysteresis measurements or on a nano/micro scale by piezoelectric force microscopy,transmission electron microscopy,scanning electron microscopy,and so on.However,visualization and qualification of polarization distribution in the micron to millimeter scale is still a challenge.Polarizing light microscopy(PLM)is often used in the study of ferroelectric domain structures mainly for domain patterns.A phe-nomenon called“chromatic polarization”has been observed in transparent ferroelectric crystals by using a crossed-PLM system viewed with white light,which contains rich information about local polariza-tion distribution.In this study,an automatic full-angle light intensity detection(AFALID)algorithm com-bined with colorimetry is developed to analyze the distribution of nonuniform local spontaneous polar-ization distribution in transparent ferroelectric single crystals.Temperature-dependent spontaneous po-larizations from the color analysis for PMN-0.36PT single crystals with single tetragonal domain state are in good coincidence with those extracted from temperature-dependent hysteresis loops and pyroelectric current measurements.We further apply this method to quantify the nonuniform domain distributions with nano-indentations.This non-contact and non-destructive characterization can provide fast and au-tomatic detection of polarization distributions in ferroelectric materials.

关键词： Polarizing light microscopy Polarization distribution Ferroelectric single crystals Chromatic polarization

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Multimodal integrated strategy for the discovery and identification of quality markers in traditional Chinese medicine

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Journal of Pharmaceutical Analysis 2022年第5期12卷 701-710页

作者： Xiaoyan Lu Yanyan Jin Yuzhen Wang Yunlong Chen Xiaohui Fan Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou310058China Innovation Center in Zhejiang University State Key Laboratory of Component-Based Chinese MedicineHangzhou310058China Jinhua Institute of Zhejiang University JinhuaZhejiang321016China Westlake Laboratory of Life Sciences and Biomedicine Hangzhou310058China Hangzhou Children's Hospital Hangzhou310010China Department of Pharmacy Sir Run Run Shaw HospitalZhejiang University School of MedicineHangzhou310016China

With the modernization and internationalization of traditional Chinese medicine(TCM),the requirement for quality control has increased.The quality marker(Q-marker)is an important standard in this field and has been implemented with remarkable success in recent years.However,the establishment of Qmarkers remains fragmented and the process lacks systematicity,resulting in inconsistent quality control and insufficient correlation with clinical efficacy and safety of TCM.This review introduces four multimodal integrated approaches that contribute to the discovery of more comprehensive and accurate Qmarkers,thus aiding in the establishment of new quality control patterns based on the characteristics and principles of TCM.These include the whole-process quality control strategy,chemical-activity-based screening method,efficacy,safety,and consistent combination strategy,and TCM theory-guided approach.Furthermore,methodologies and representative examples of these strategies are described,and important future directions and questions in this field are also proposed.

关键词： Traditional Chinese medicine(TCM) Quality marker(Q-marker) Multimodal integrated strategy Quality control systems

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New avenues for systematically inferring cellcell communication:through single-cell transcriptomics data

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Protein & Cell 2020年第12期11卷 866-880页

作者： Xin Shao Xiaoyan Lu Jie Liao Huajun Chen Xiaohui Fan College of Pharmaceutical Sciences Zhejiang UniversityHangzhou 310058China College of Computer Science and Technology Zhejiang UniversityHangzhou 310027China The First Affiliated Hospital School of MedicineZhejiang UniversityHangzhou 310003China The Save Sight Institute Faculty of Medicine and HealthThe University of SydneySydneyNSW 2000Australia

For multicellular organisms,cell-cell communication is essential to numerous biological processes.Drawing upon the latest development of single-cell RNA-sequencing(scRNA-seq),high-resolution transcriptomic data have deepened our understanding of cellular phenotype heterogeneity and composition of complex tissues,which enables systematic cell-cell communication studies at a single-cell level.We first summarize a common workflow of cell-cell communication study using scRNA-seq data,which often includes data preparation,construction of communication networks,and result validation.Two common strategies taken to uncover cell-cell communications are reviewed,e.g.,physically vicinal structure-based and ligand-receptor interaction-based one.To conclude,challenges and current applications of cell-cell communication studies at a single-cell resolution are discussed in details and future perspectives are proposed.

关键词： cell-cell communication single-cell RNA sequencing physical contact-dependent communication chemical signal-dependent communication ligand-receptor interaction network biology

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Grain-boundary segregation and grain growth in nanocrystalline substitutional solid solution alloys

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Journal of Materials Science & Technology 2024年第1期168卷 239-249页

作者： Fawei Tang Chao Hou Hao lu Zhi Zhao xiaoyan Song Faculty of Materials and Manufacturing Key Laboratory of Advanced Functional MaterialsMinistry of Education of ChinaBeijing University of TechnologyBeijing 100124China

A model for describing solute segregation at grain boundaries has been developed for substitutional solid solution alloys,which integrates multiple factors from atomic to microstructural scales.A concept of mo-lar Gibbs free energy of segregation was introduced to evaluate the segregating capability of the solute elements in a closed system,through which the influences of grain boundary structure,grain size,ma-terial composition,and external conditions were described.Based on the evaluation of various energy forms related to solute segregation and grain growth processes,the nature of the thermal stabilization of nanograin structures by solute segregation was disclosed.A criterion for the destabilization of nanostruc-tures,which is determined by the competition of the change rates between the molar Gibbs free energy of segregation and the total energy of grain boundaries with grain size,has been proposed.This study provided guideline to achieve high-temperature stability of nanograin structures of solid solution alloys even for the weakly segregating nanocrystalline systems.

关键词： Substitutional solid solution Grain boundary segregation Thermal stabilization Solute concentration Grain size

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Viscous behavior of 1-hexyl-methylimidazolium bis(trifluoromethylsulfonyl)imide/titanium dioxide/polyethylene glycol

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Chinese Journal of Chemical Engineering 2023年第2期54卷 280-287页

作者： Yifeng Chen Hang Yu Jingjing Chen Xiaohua lu xiaoyan Ji State Key Laboratory of Materials-Oriented Chemical Engineering Nanjing Tech UniversityNanjing 211816China Energy Engineering Division of Energy ScienceLuleå University of TechnologyLuleå 97187Sweden

Viscous behavior is important for the process design, especially for the non-Newtonian fluid. In this study, the viscous behaviors of slurry, i.e., 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)im ide([Hmim][NTf_(2)])/titanium dioxide(TiO_(2))-polyethylene glycol(PEG200), were determined experimentally and systematically. The pressure drop was estimated when [Hmim][NTf_(2)]/TiO_(2)-PEG200 was used as the solvent in the absorption/desorption towers. The results show that the slurry belongs to the non-Newtonian fluid with shear-thinning behavior. High temperature and low solid content are beneficial to reduce the viscosity of [Hmim][NTf_(2)]/TiO_(2)-PEG200, and the presence of [Hmim][NTf_(2)] can effectively reduce the viscosity of the slurry. In addition, high temperature is preferable for reducing the pressure drop, and the pressure drop of slurry with the solid content value of 8.0%(mass) can reduce by 28.0%when the temperature increases from 313 to 333 K.

关键词： Viscosity Ionic liquids Model Slurry Pressure drop

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A projected Newton algorithm based on chemically allowed interval for chemical equilibrium computations

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Frontiers of Chemical Science and Engineering 2024年第3期18卷 25-37页

作者： Hongbin lu Shaohui Tao xiaoyan Sun Li Xia Shuguang Xiang Institute of Process Systems Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao266042China

The chemical equilibrium equations utilized in reactive transport modeling are complex and nonlinear,and are typically solved using the Newton-Raphson method.Although this algorithm is known for its quadratic convergence near the solution,it is less effective far from the solution,especially for ill-conditioned problems.In such cases,the algorithm may fail to converge or require excessive iterations.To address these limitations,a projected Newton method is introduced to incorporate the concept of projection.This method constrains the Newton step by utilizing a chemically allowed interval that generates feasible descending iterations.Moreover,we utilize the positive continuous fraction method as a preconditioning technique,providing reliable initial values for solving the algorithms.The numerical results are compared with those derived using the regular Newton-Raphson method,the Newton-Raphson method based on chemically allowed interval updating rules,and the bounded variable least squares method in six different test cases.The numerical results highlight the robustness and efficacy of the proposed algorithm.

关键词： chemical equilibrium reactive transport modeling numerical methods projected Newton method

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Thermodynamic analysis and modification of Gibbs–Thomson equation for melting point depression of metal nanoparticles

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Chinese Journal of Chemical Engineering 2021年第3期34卷 198-205页

作者： Nanhua Wu Xiaohua lu Rong An xiaoyan Ji Division of Energy Science/Energy Engineering LuleåUniversity of Technology97187 LuleåSweden State Key Laboratory of Materials-Oriented and Chemical Engineering Nanjing Tech UniversityNanjing 211816China Key Laboratory of Advanced Catalytic Materials and Technology School of Petrochemical EngineeringChangzhou UniversityChangzhou 213164China Herbert Gleiter Institute of Nanoscience Nanjing University of Science&TechnologyNanjing 210094China

Abnormal melting point depression of metal nanoparticles often occurs in heterogeneous catalytic reactions,which leads to a reduction in the stability of reactive nanoclusters.To study this abnormal phenomenon,the original and surface-energy modified Gibbs-Thomson equations were analyzed in this work and further modified by considering the effect of the substrate.The results revealed that the original Gibbs-Thomson equation was not suitable for the particles with radii smaller than 10 nm.Moreover,the performance of the surface-energy modified Gibbs-Thomson equation was improved,and the deviation was reduced to(-350-100)K,although further modification of the equation by considering the interfacial effect was necessary for the small particles(r<5 nm).The new model with the interfacial effect improved the model performance with a deviation of approximately-50 to 20 K,where the interfacial effect can be predicted quantitatively from the thermodynamic properties of the metal and substrate.Additionally,the micro-wetting parameterα_W can be used to qualitatively study the overall impact of the substrate on the melting point depression.

关键词： Melting point depression Metal nanoparticle Gibbs–Thomson equation Substrate Interfacial effect

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High-entropy layered oxides nanosheets for highly efficient photoelectrocatalytic reduction of CO_(2)and application research

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Nano Research 2023年第4期16卷 4775-4785页

作者： Xuefei Liu xiaoyan Wang Beibei Yang Junzheng Zhang Jun lu State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing 100029China Beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical TechnologyBeijing 100029China

High-entropy oxides receive significant attention owing to their“four effects”.However,they still suffer from harsh construction conditions such as high temperature and high pressure and present a block-like structure.Herein,in this work,Ni-Mn-Cu-Co-Fe-Al high-entropy layered oxides(HELOs)with a layered nanosheet structure were constructed by a simple pathway of topological transformation under relatively low temperature(300℃)with six-membered Ni-Mn-Cu-Co-Fe-Al layered double hydroxides(LDHs)precursors,which exhibited an outstanding activity and excellent selectivity for CO_(2)photoelectroreduction(obtaining the highest carbon monoxide yield of 909.55μmol·g^(−1)·h^(−1)under−0.8 V vs.reversible hydrogen electrode(RHE),which is almost twice that of pure electrocatalysis).In addition,the charging voltage of a photo-assisted Zn-CO_(2)battery with HELOs as electrode was reduced from 2.62 to 2.40 V;the discharging voltage of the battery was increased from 0.51 to 0.59 V with the assistance of illumination.The improvement of round-trip efficiency of the battery indicates that light played a positive role in both the charging and discharging processes.This study not only lays an important foundation for the development of high-entropy oxides but also expands their application in the field of photoelectrochemistry.

关键词： high-entropy layered oxides(HELOs) CO_(2)reduction layered double hydroxides(LDHs) photoelectrocatalytic

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Antibacterial and Alkali-responsive Cationic Waterborne Polyurethane Based on Modification of Aloe Emodin

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Chemical Research in Chinese Universities 2023年第2期39卷 266-275页

作者： XIONG xiaoyan LI Xiaobin ZHU Zifan ZHANG Ending SHI Jun lu Mangeng Guangzhou Institute of Chemistry Chinese Academy of SciencesGuangzhou510650P.R.China University of Chinese Academy of Sciences Beijing100049China Guangdong Provincial Key Laboratory of Organic Polymer Materials for Electronics Guangzhou510650China New Materials Research Institute of CASCHEM(Chongqing)Co. Ltd.Chongqing400714China CASH GCC Shaoguan Research Institute of Advanced Materials Shaoguan512440China

Cationic water-based polyurethane(CWPU)was synthesized to explore aloe-emodin modifies to obtain CWPU materials with better comprehensive performance.It provides a simple way to synthesize antibacterial waterborne polyurethane,which is to introduce the end-blocking group of herbal extracts into the structure.It contains synergistic antibacterial effect of herbal antibacterial and quaternary ammonium ion on Escherichia coli.It makes the material resist the erosion of bacterial,and increase the service life of materials.When the pH value of the environment changes,the UV absorbance of the aloe-emodin modified cationic water-based polyurethane(AE-CWPU)also changes.Therefore,within a certain detection range,AE-CWPU has great applications in the field of smart response materials.The modified thermodynamic properties have been improved,and the mechanical properties basically maintained the maximum stress,and the elongation at break was reduced.

关键词： Waterborne polyurethane Aloe emodin Quaternary ammonium salt Antibacterial pH response

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Network pharmacology approaches for research of Traditional Chinese Medicines

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Chinese Journal of Natural Medicines 2023年第5期21卷 323-332页

作者： LI Xiang LIU Ziqi LIAO Jie CHEN Qian lu xiaoyan FAN Xiaohui School of Basic Medical Sciences and Forensic Medicine Hangzhou Medical CollegeHangzhou 311399China Department of Chinese Medicine Science&Engineering College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Innovation Center in Zhejiang University State Key Laboratory of Component-based Chinese MedicineHangzhou 310058China Future Health Laboratory Innovation Center of Yangtze River DeltaZhejiang UniversityJiaxing 314100China

Pharmacodynamics material basis and effective mechanisms are the two main issues to decipher the mechnisms of action of Traditional Chinese medicines(TCMs)for the treatment of diseases.TCMs,in“multi-component,multi-target,multi-pathway”paradigm,show satisfactory clinical results in complex diseases.New ideas and methods are urgently needed to explain the complex interactions between TCMs and diseases.Network pharmacology(NP)provides a novel paradigm to uncover and visualize the underlying interaction networks of TCMs against multifactorial diseases.The development and application of NP has promoted the safety,efficacy,and mechanism investigations of TCMs,which then reinforces the credibility and popularity of TCMs.The current organcentricity of medicine and the“one disease-one target-one drug”dogma obstruct the understanding of complex diseases and the development of effective drugs.Therefore,more attentions should be paid to shift from“phenotype and symptom”to“endotype and cause”in understanding and redefining current diseases.In the past two decades,with the advent of advanced and intelligent technologies(such as metabolomics,proteomics,transcriptomics,single-cell omics,and artificial intelligence),NP has been improved and deeply implemented,and presented its great value and potential as the next drug-discovery paradigm.NP is developed to cure causal mechanisms instead of treating symptoms.This review briefly summarizes the recent research progress on NP application in TCMs for efficacy research,mechanism elucidation,target prediction,safety evaluation,drug repurposing,and drug design.

关键词： Network Pharmacology Single-Cell omics Artificial Intelligence Traditional Chinese Medicine Herbal Medicine Pharmacodynamics Material Basis Effective Mechanism Drug Repurposing

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