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Calculations of dynamic multipolar polarizabilities of the Cd clock transition levels

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Chinese Physics B 2021年第8期30卷 295-300页

作者： Mi Zhou li-yan tang State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and MathematicsInnovation Academy for Precision Measurement Science and TechnologyChinese Academy of SciencesWuhan 430071China University of Chinese Academy of Sciences Beijing 100049China

The pursuit of a systematic frequency uncertainty beyond 10^(-18) clock has triggered a multitude of investigations on the multipolar and higher-order lattice light *** Cd atom has been proposed as a new candidate for the development of a lattice clock because of its smaller blackbody radiation shift at room ***,we apply an improved combined method of the Dirac-Fock plus core polarization and relativistic configuration interaction methods to calculate the dynamic multipolar polarizabilities of the Cd clock *** effects of the high-order core-polarization potentials on the energies,reduced matrix elements,and multipolar polarizabilities have been evaluated *** detailed comparison with available literature demonstrates that taking into account of the high-order core-polarization potentials is a simple and effective approach to improve the results of atomic properties for heavy atoms.

关键词： Cd atomic clock multipolar polarizabilities high-order core-polarization potentials DFCP+RCI method

右美托咪定复合低浓度罗哌卡因单次股神经阻滞对老年患者膝关节置换术的影响

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医学信息 2024年第9期37卷 112-117页

作者：李严棠覃军李捷傅翔李波深圳市龙岗区骨科医院麻醉科深圳市龙岗区骨科医院骨科

目的探讨右美托咪定复合低浓度罗哌卡因单次股神经阻滞在老年患者膝关节置换术后的镇痛效果及对术后肌力恢复的影响。方法选取深圳市龙岗区骨科医院2020年3月-2021年9月在喉罩插管全麻下行膝关节置换术（TKA）患者60例，采用数字表法... 详细信息

目的探讨右美托咪定复合低浓度罗哌卡因单次股神经阻滞在老年患者膝关节置换术后的镇痛效果及对术后肌力恢复的影响。方法选取深圳市龙岗区骨科医院2020年3月-2021年9月在喉罩插管全麻下行膝关节置换术（TKA）患者60例，采用数字表法随机分为实验组（DR组）和对照组（R组）各30例。DR组与R组分别以0.15%罗哌卡因+1μg/kg右美托咪啶、0.15%罗哌卡因超声引导下股神经阻滞，术后两组均行患者自控静脉镇痛（PCIA）。比较两组患者术后不同时间点（4、8、12、18、24、48 h）疼痛程度（VAS）及股四头肌肌力。记录两组患者术后PCIA首次按压时间、术后48 h内各时间间隔PCA按压次数、相关并发症，以及不良反应发生情况。结果 DR组术后8、12、24 h静息状态VAS评分及运动状态VAS评分均低于R组（P0.05）;DR组患者首次PCA按压时间为（5.64±1.73）h，长于R组的（3.15±1.52）h，差异有统计学意义（P0.05）。结论与单纯罗哌卡因相比，右美托咪定复合低浓度罗哌卡因能增强阻滞效果，延长术后镇痛时间，对术后肌力恢复的影响较小，且不会增加不良反应，能为TKA患者提供更好的镇痛效果。

关键词：右美托咪啶股神经阻滞全膝关节置换术后镇痛

丹参酮IIA通过激活AKT/FOXO3a通路减轻七氟醚诱导的大鼠神经元细胞毒性

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解剖科学进展 2024年第1期30卷 39-42页

作者：李严棠覃军傅翔李波深圳市龙岗区骨科医院麻醉科广东深圳518116

目的探究丹参酮IIA(Tan IIA)减轻七氟醚(Sev)诱导的大鼠神经元细胞毒性的机制及其对AKT/FOXO3a通路产生的影响。方法将大鼠神经元细胞HT22分为对照组、Sev组、TanIIA干预组与Sev+Tan IIA+LY294002组。CCK-8实验筛选最佳TanIIA浓度;CC... 详细信息

目的探究丹参酮IIA(Tan IIA)减轻七氟醚(Sev)诱导的大鼠神经元细胞毒性的机制及其对AKT/FOXO3a通路产生的影响。方法将大鼠神经元细胞HT22分为对照组、Sev组、TanIIA干预组与Sev+Tan IIA+LY294002组。CCK-8实验筛选最佳TanIIA浓度;CCK-8检测各组细胞活性;流式细胞术检测各组细胞凋亡率;试剂盒检测各组细胞MDA、SOD及GSH水平;Western blot检测各组细胞HO-1、 NQO1、AKT、p-AKT、FOXO3a及p-FOXO3a的蛋白表达。结果 Tan IIA的最佳处理浓度为3μg/mL。Sev能够导致细胞毒性,诱导细胞凋亡,导致氧化应激;Tan IIA对Sev诱导的细胞毒性、凋亡以及氧化应激具有保护作用,而抑制AKT则抵消了Tan IIA对Sev诱导的细胞毒性保护作用,抵消了Tan IIA对Sev诱导的细胞凋亡和氧化应激的抑制作用。此外,Tan IIA激活了AKT/FOXO3a通路。结论丹参酮IIA通过激活AKT/FOXO3a通路减轻七氟醚诱导的大鼠神经元细胞毒性。

关键词：丹参酮IIA 七氟醚 AKT/FOXO3a通路神经毒性

Molecular Simulations in Macromolecular Science

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Chinese Journal of Polymer Science 2023年第9期41卷 1361-1370,I0005页

作者： Duo Xu Hai-Xiao Wan Xue-Rong Yao Juan li li-tang yan State Key Laboratory of Chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China Beijing Research Institute of Chemical Industry SINOPECBeijing100013Chin

Molecular simulations are now an essential part of modern chemistry and physics,especially for the investigation of *** have evolved into mature approaches that can be used effectively to understand the structure-to-property relationships of diverse macromolecular *** this article,we provide a tutorial on molecular simulations,focusing on the technical and practical *** prominent and classical simulation methods and software are *** applications of molecular simulations in various directions of macromolecular science are thenfeatured by representative systems,including self-assembly,crystallization,chemical reaction,and some typical non-equilibrium *** tutorial paper provides a useful overview of molecular simulations in the rapid progress of macromolecular science,and suggests guidance for researchers who start exploiting molecular simulations in their study.

关键词： Molecular simulation Coarse-grained molecular dynamics Multi-scale method Polymer physics

Insight into Biophysicochemical Principles of Biopolymers through Simulation and Theory

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Chinese Journal of Polymer Science 2023年第9期41卷 1342-1354,I0005页

作者： Hai-Xiao Wan Duo Xu Xue-Wei Dong Kai yang li-tang yan State Key Laboratory of Chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China Center for Soft Condensed Matter Physics and Interdisciplinary Research&School of Physical Science and Technology Soochow UniversitySuzhou215006China

The development of biopolymers for biomedical applications has traditionally been based on new ***,there is growing recognition that the biological responses can be regulated by the physical as well as the chemical properties of *** the biophysicochemical principles regarding biopolymers is thereby of great importance in the generation of advanced ***,this review article seeks to provide a conceptual framework demonstrating how the approaches of tailored computer simulations and theoretical analysis are harnessed to explore the physicochemical principles of biopolymer cellular *** briefly introduce the theoretical and simulation methods used in this field,summarize the typical findings based on these approaches,and describe the correlations between theoretical results and ***,the future prospects for the theoretical aspect of biopolymers and their biophysicochemical interactions are *** knowledge might be critical from the perspective of advantageous and safe use of designer biomaterials.

关键词： Biopolymers Computer simulation Theoretical analysis Biophysicochemical interaction Biophysics

Tunable Multiple Morphological Transformation of Supramolecular Hyperbranched Polymers Based on an A_(2)B_(6)-type POSS Monomer

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Chinese Journal of Polymer Science 2021年第12期39卷 1562-1571页

作者： lin-Feng Fan Cui-ling Hou Xing Wang li-tang yan De-Cheng Wu Beijing National Laboratory for Molecular Sciences State Key Laboratory of Polymer Physics ChemistryInstitute of ChemistryChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100049China Department of Biomedical Engineering Southern University of Science and TechnologyShenzhen 518055China

The growing dema nds of supramolecular hyperbranched polymers integrati ng non covale nt in teraction and unique topological structure merits had received considerable interest in the fabrication of novel materials for advaneed ***,we prepared A2B6-type POSS-containing supramolecular hyperbranched polymers with multiple morphologies including lamellar-like,branched,hollow,core-shell and porous spherical structures through regulating self-assembling monomer concentrations and solvent *** incorporation of appropriate emulative guest molecules would further trigger morphological transformations(such as vesicles and spherical micelles)by synergistic effects of unique POSS aggregation ability,supramolecular complexations and hydrophilic-hydrophobic ***,this facile and universal strategy may enable a modular nanofabrication of supramolecular hyperbranched polymers with diversiform topological structure and sophisticated multifunctionality for their potential applications.

关键词： POSS Host-guest interaction A2B6-type monomer Supramolecular polymer Morphological transformation

Special Issue:Theory and Simulation of Macromolecules

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Chinese Journal of Polymer Science 2023年第9期41卷 1317-1317,I0004页

作者： Wen-Bing Hu li-tang yan Jia-Jia Zhou An-Chang Shi 不详

We are pleased to announce the special issue on Theory and Simulation of Macromolecules published in the Chinese Journal of Polymer *** recent years,a vibrant research community in the theory and simulation of macromolecules has been established in China[Hu,*** simulation of polymers:bridging the gap between theory and experiment,Chinese ***.2022,40,709-710].

关键词： Simulation Macro of

The Structure Entropy of Social Networks

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Journal of Systems Science & Complexity 2024年第3期37卷 1147-1162页

作者： li Zhenpeng yan Zhihua yanG Jian tang Xijin School of Electronics and Information Engineering Taizhou UniversityLinhai 317000China Academy of Mathematics and Systems Science Chinese Academy of SciencesBeijing 100190China Yunnan Key Laboratory of Smart City in Cyberspace Security Yuxi Normal UniversityYuci 653100China University of Chinese Academy of Sciences Beijing 100039China

Micro triadic structure is an important motif and serves the building block of complex *** this paper,the authors define structure entropy for a social network and explain this concept by using the coded triads proposed by Davis and Leinhardt in *** proposed structure entropy serves as a new macro-evolution index to measure the network’s stability at a given *** analysis of real-world network structure entropy discloses rich information on the mechanism that yields given triadic motifs frequency *** paper illustrates the intrinsic link between the micro dyadic/triadic motifs and network structure ***,the authors find that the high proportion of reciprocity and transitivity results in the emergence of hierarchy,order,and cooperation of online social networks.

关键词： Dyadic and triadic motifs network structure entropy reciprocity and transitivity

Structural uncertainty quantification of Reynolds-Averaged Navier–Stokes closures for various shock-wave/boundary layer interaction flows

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Chinese Journal of Aeronautics 2024年第3期37卷 34-48页

作者： Fanzhi ZENG Tianxin ZHANG Denggao tang Jinping li Chao yan School of Aeronautic Science and Engineering Beihang UniversityBeijing 100191China School of Aeronautical Engineering Air Force Engineering UniversityXi’an 710038China

Accurate prediction of Shock-Wave/Boundary Layer Interaction(SWBli)flows has been a persistent challenge for linear eddy viscosity models.A major limitation lies in the isotropic representation of the Reynolds stress,as assumed under the Boussinesq *** studies have shown promise in improving the prediction capability for incompressible separation flows by perturbing the Reynolds-stress anisotropy ***,it remains uncertain whether this approach is effective for SWBli flows,which involve compressibility and *** address this issue,this study systematically quantifies the structural uncertainty of the anisotropy for oblique SWBli *** eigenspace perturbation method is applied to perturb the anisotropy tensor predicted by the Menter Shear–Stress Transport(SST)model and reveal the impacts of anisotropy on the prediction of quantities of interest,such as separation and reattachment positions,wall static pressure,skin friction,and heat *** results demonstrate the potential and reveal the challenges of eigenspace perturbation in improving the SST ***,a detailed analysis of turbulent characteristics is performed to identify the source of *** findings indicate that eigenspace perturbation primarily affects turbulent shear stress,while the prediction error of the SST model is more related to turbulent kinetic energy.

关键词： Shock-wave/boundary layer interaction(SWBli) Turbulence models Uncertainty analysis Eigenspace perturbation Anisotropy