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Model informed precision medicine of Chinese herbal medicines formulas-A multi-scale mechanistic intelligent model

Journal of Pharmaceutical Analysis 2024年第4期14卷 585-600页

作者： Yuanyuan Qian Xiting Wang Lulu Cai Jiangxue han zhu Huang Yahui Lou Bingyue Zhang Yanjie Wang Xiaoning Sun Yan Zhang Aisong zhu Zhejiang Key Laboratory of Blood-Stasis-Toxin Syndrome Zhejiang Chinese Medical UniversityHangzhou310000China Academy of Mathematics and Systems Science Chinese Academy of SciencesBeijing100190China Zhejiang Engineering Research Center for“Preventive Treatment”Smart Health of Traditional Chinese Medicine Zhejiang Chinese Medical UniversityHangzhou310000China College of Basic Medical Sciences Zhejiang Chinese Medical UniversityHangzhou310000China Affiliated Hospital of Liaoning University of Traditional Chinese Medicine Shenyang110032China Academy of Chinese Medical Science Zhejiang Chinese Medical UniversityHangzhou310000China

Recent trends suggest that Chinese herbal medicine formulas(CHM formulas)are promising treatments for complex *** characterize the precise syndromes,precise diseases and precise targets of the precise targets between complex diseases and CHM formulas,we developed an artificial intelligence-based quantitative predictive algorithm(DeepTCM).DeepTCM has gone through multilevel model calibration and validation against a comprehensive set of herb and disease data so that it accurately captures the complex cellular signaling,molecular and theoretical levels of traditional Chinese medicine(TCM).As an example,our model simulated the optimal CHM formulas for the treatment of coronary heart disease(CHD)with depression,and through model sensitivity analysis,we calculated the balanced scoring of the ***,we constructed a biological knowledge graph representing interactions by associating herb-target and gene-disease ***,we experimentally confirmed the therapeutic effect and pharmacological mechanism of a novel model-predicted intervention in humans and *** novel multiscale model opened up a new avenue to combine“disease syndrome”and“macro micro”system modeling to facilitate translational research in CHM formulas.

关键词： Chinese herbal medicine formulas Precision medicine Mathematical modeling Systems biology Coronary heart disease Depression Ischemia-reperfusion Inflammation

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Suppressing interfacial polarization via entropy increase strategy for superior energy-storage performance of Na_(0.5)Bi_(0.5)TiO_(3)-based ceramics

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Journal of Materiomics 2024年第4期10卷 947-955页

作者： hanyu Zhao Wenjun Cao Donghao han Xiyue zhu Cen Liang Changyuan Wang Chunchang Wang Laboratory of Dielectric Functional Materials School of Physics&Materials ScienceAnhui UniversityHefei230601China

High entropy engineering has emerged as a new strategy to improve the energy storage density and efficiency of dielectric capacitors due to its unique design ***,the recyclable energy storage density(Wrec)reported so far has never exceeded 2 J/cm^(3) for the type of high-entropy ceramics with equimolar elements occupying A or B *** order to improve this type high-entropy ***_(0.5)Bi_(0.5)TiO_(3)(NBT)was used as the matrix,equimolar Sr^(2+),La^(3+),K^(+)and Ba^(2+)were gradually introduced into at the A-site of the matrix lattice to increase configurational *** results show that the relaxor degree,band gap width,interfacial polarization,and breakdown field strength are effectively improved with increasing *** them,suppressing interfacial polarization is an important factor to increase the breakdown field strength and thus enhance the energy storage ***(Na1/6Bi1/6Sr1/6La1/6K1/6Ba1/6)TiO_(3)(NBSLKBT)sample with the highest configurational entropy shows an ultra-high Wrec of 9.8 J/cm^(3) and the energy storage efficiency(η=86.5%).This work demonstrates that entropy strategy for superior energy-storage performance still works on the above type high-entropy ceramics and opens up a new way of modulating interface polarization by entropy increase strategy.

关键词： High entropy ceramics Energy storage Interfacial polarization Configurational entropy

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基于基因荧光检测的长波通滤光片研制

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光电技术应用 2024年第3期39卷 36-41页

作者：林亦心董新康杨宁辛亚武祝晗彭永超熊仕富天津理工大学功能晶体研究院天津市功能晶体材料重点实验室天津

光学滤光片是滤去杂质光干扰的重要光学器件,不同波段的滤光片在基因检测得到广泛应用。基于膜系设计理论与薄膜制备工艺,利用电子束蒸发离子辅助沉积技术,以Ta_(2)O_(5)和SiO_(2)为镀膜材料,在JGS1基底玻璃上设计并制备了一种截止中心... 详细信息

光学滤光片是滤去杂质光干扰的重要光学器件,不同波段的滤光片在基因检测得到广泛应用。基于膜系设计理论与薄膜制备工艺,利用电子束蒸发离子辅助沉积技术,以Ta_(2)O_(5)和SiO_(2)为镀膜材料,在JGS1基底玻璃上设计并制备了一种截止中心λ_(0)=520 nm的高反射,透射带λ为530~750 nm的高透射长波通滤光片。通过分析膜层敏感度和电场分布,设置合理的晶控方案,调整工艺参数,避免监控高敏感膜层时石英晶控灵敏度下降,解决光谱透过率降低的问题。研制的滤光片在520 nm处反射率为99.77%,在530~750 nm波段平均透过率为98.58%,可满足应用需求。

关键词：光学薄膜长波通滤光片膜堆周期离子辅助沉积

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碳纤维复合材料在轨道交通领域的研究与应用进展

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合成纤维 2024年第9期53卷 19-25,39页

作者：李明李志文韩晶珠李浩然孙泽玉魏毅长春路通轨道车辆配套装备有限公司吉林长春130216 东华大学上海201620

近年来,我国轨道交通领域发展迅速,轨道交通装备减重提质是一个热门趋势,碳纤维复合材料因其具备高的比强度、比模量、耐疲劳性等特点成为首选轻量化材料。碳纤维复合材料代替传统金属材料能更好地满足提速、环保、舒适等要求。介绍了... 详细信息

近年来,我国轨道交通领域发展迅速,轨道交通装备减重提质是一个热门趋势,碳纤维复合材料因其具备高的比强度、比模量、耐疲劳性等特点成为首选轻量化材料。碳纤维复合材料代替传统金属材料能更好地满足提速、环保、舒适等要求。介绍了碳纤维复合材料在轨道交通装备的应用优势,综述了碳纤维复合材料在国内外轨道交通领域的应用现状,分析了碳纤维复合材料的先进成型工艺技术进展,以期为国内轨道交通领域发展提供帮助。

关键词：轨道交通碳纤维复合材料技术进展应用

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Hybrid Multi-Infeed Interaction Factor Calculation Method Considering Voltage Regulation Control Characteristics of Voltage Source Converter

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Energy Engineering 2024年第8期121卷 2257-2273页

作者： Shan Liu Chengbin Chi Fengze han Yanan Wu Lin zhu Tuo Wang State Grid Smart Grid Research Institute State Grid Corporation of ChinaBeijing102209China School of Electric Power Engineering Northeast Electric Power UniversityJilin132012China

Voltage source converter based high voltage direct current(VSC-HVDC)can participate in voltage regulation by flexible control to help maintain the voltage stability of the power *** order to quantitatively evaluate its influence on the voltage interaction between VSC-HVDC and line commutated converter based high voltage direct current(LCC-HVDC),this paper proposes a hybrid multi-infeed interaction factor(HMIIF)calculation method considering the voltage regulation control characteristics of ***,for a hybrid multi-infeed high voltage direct current system,an additional equivalent operating admittance matrix is constructed to characterize HVDC equipment characteristics under small ***,based on the characteristic curve between the reactive power and the voltage of a certain VSC-HVDC project,the additional equivalent operating admittance of VSC-HVDC is *** additional equivalent operating admittance matrix calculation method is ***,the equivalent bus impedance matrix is obtained by modifying the alternating current(AC)system admittance matrix with the additional equivalent operating admittance *** this basis,the HMIIF calculation method based on the equivalent bus impedance ratio is ***,the effectiveness of the proposed method is verified in a hybrid dual-infeed high voltage direct current system constructed in Power Systems Computer Aided Design(PSCAD),and the influence of voltage regulation control on HMIIF is analyzed.

关键词： Hybrid multi-infeed high voltage direct current system hybrid multi-infeed interaction factor control modes equivalent node impedance ratio voltage interaction characteristics

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基于强化学习的需求分布未知情境下酒店客房动态定价研究

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系统工程理论与实践 2023年第2期43卷 509-523页

作者：朱晗张敏唐加福东北财经大学管理科学与工程学院大连116025

传统酒店动态定价研究大多考虑改进需求预测方法或考虑需求环境已知,而现实生活中需求分布通常是未知的.本文考虑需求分布未知的情境,建立基于马尔可夫决策过程的酒店客房多周期动态定价模型,并利用强化学习方法,提出基于SARSA(λ)的改... 详细信息

传统酒店动态定价研究大多考虑改进需求预测方法或考虑需求环境已知,而现实生活中需求分布通常是未知的.本文考虑需求分布未知的情境,建立基于马尔可夫决策过程的酒店客房多周期动态定价模型,并利用强化学习方法,提出基于SARSA(λ)的改进算法对客房动态定价模型进行求解.为提升算法的求解能力和收敛速度,提出了基于改进ε-greedy策略的ε-SARSA(λ)算法和基于改进模拟退火策略的ISA-SARSA(λ)算法.通过数值实验对比SARSA(λ),ε-SARSA(λ),SA-SARSA(λ)和ISA-SARSA(λ)四种算法的收益优化结果,验证了改进算法的有效性,结果显示,ISA-SARSA(λ)算法求解性能最好.

关键词：强化学习动态定价 SARSA(λ)算法收益管理

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Parallelogram 3d-4f-5d heterometallic clusters based on trilacunary tungstoantimonates with excellent proton conductivity

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Chinese Chemical Letters 2024年第3期35卷 528-531页

作者： Haiying Wang han Xu Chaolong Chen Yingjie zhu Yikang Zhang Dongdi Zhang Jingyang Niu Henan Key Laboratory of Polyoxometalate Chemistry College of Chemistry and Molecular SciencesHenan UniversityKaifeng 475004China School of Pharmaceutical Science&Yunnan Key Laboratory of Pharmacology for Natural Products Kunming Medical UniversityKunming 650500China Collaborative Innovation Center of Chemistry for Energy Materials State Key Laboratory of Physical Chemistry of Solid Surface and Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China

Two 3d-4f-5d heterometallic cluster-containing polyoxometalates,formulated as Na_(22){(SbW_(9)O_(33))_(4)[La_(3)W_(6)MO_(18)(H_(2)O)_(8)(CH_(3)COO)_(4)]_(2)}·nH_(2)O(abbreviated as La_(6)M_(2),M=Co/Mn)were synthesized and structurally ***-crystal X-ray diffraction analyses reveal that the polyanions of La_(6)Co_(2)and La_(6)Mn_(2)consist of the uncommon 3d-4f-5d clusters{La_(6)W_(12)Co_(2)}and{La_(6)W_(12)Mn_(2)},which are encapsulated by four trilacunary Keggin tungstoantimonates to form the parallelogram-shaped title ***,the polyanions can be extended into a two-dimensional(2D)frame by the linkage of peripheral Na+*** inner space of the 2D layer was filled with water molecules and thus an H-bonded network was formed,which is expected to exhibit a fascinating proton *** study of water-assisted proton conduction demonstrated that La_(6)Co_(2)and La_(6)Mn_(2)were temperature-and humiditydependent proton conductors,respectively,and the proton conductivities could reach 1.3×10^(-2)and 2.3×10^(-2)S/cm at 65℃and 90%RH conditions.

关键词： Polyoxometalate Parallelogram Heterometallic 3d-4f-5d cluster Proton conductivity

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Theoretical studies on silathione and its unimolecular reactions

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Chinese Journal of Chemistry 1990年第3期8卷 215-221页

作者： han,Yun-zhu Department of Chemistry,Liaocheng Teachers CollegeZHAO,Cheng-Da Department of Chemistry,Northeast Normal University,Changchun 130024 Department of Chemistry Liaocheng Teachers College Department of Chemistry Northeast Normal University Changchun 130024

The unimolecular reactions of silathione:(a)dehydrogenation,(b)trans-isomerization, (c)cis-isomerization,are investigated by ab initio MO calculations using RHF/4-31G basis *** geometries and energies of the reactant,transition states and products have been determined on the singlet potential energy surface of the ground *** reaction ergodography along the intrinsic reaction coordinate(IRC)for the three reactions has also been performed.

关键词： Figure show IRC Theoretical studies on silathione and its unimolecular reactions

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Collision of Bare Ion Si14+ with the Same Z Slow-atom Si

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原子与分子物理学报 2000年第1期 56-61页

作者： CHEN Shu, ZhanG Qi, han Yong sheng, zhu Guo rong ( Physics Department, China Pharmaceutical University, Nanjing 210009) Physics Department China Pharmaceutical University Nanjing 210009

1　ＩＮＴＲＯＤＵＣＴＩＯＮＩｎｔｈｉｓｐａｐｅｒｗｅｄｉｓｃｕｓｓｔｈｅｃｏｌｌｉｓｉｏｎｏｆｂａｒｅｉｏｎＳｉ14+ｗｉｔｈｔｈｅｓａｍｅＺｓｌｏｗａｔｏｍＳｉ.Ｉｎｒｅｃｅｎｔｐｕｂｌｉｃａｔｉｏｎｂａｒｅｈｉｇｈ-... 详细信息

1　ＩＮＴＲＯＤＵＣＴＩＯＮＩｎｔｈｉｓｐａｐｅｒｗｅｄｉｓｃｕｓｓｔｈｅｃｏｌｌｉｓｉｏｎｏｆｂａｒｅｉｏｎＳｉ14+ｗｉｔｈｔｈｅｓａｍｅＺｓｌｏｗａｔｏｍＳｉ.Ｉｎｒｅｃｅｎｔｐｕｂｌｉｃａｔｉｏｎｂａｒｅｈｉｇｈ-Ｚｉｏｎｓｃｏｌｌｉｓｉｏｎｗｉｔ...

关键词： Collision of bare ion Same slow atom Cross section

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Accelerated Sequential Deposition Reaction via Crystal Orientation Engineering for Low-Temperature,High-Efficiency Carbon-Electrode CsPbBr_(3) Solar Cells

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Energy & Environmental Materials 2024年第1期7卷 168-175页

作者： Zeyang Zhang Weidong zhu Tianjiao han Tianran Wang Wenming Chai Jiaduo zhu He Xi Dazheng Chen Gang Lu Peng Dong Jincheng Zhang Chunfu Zhang Yue Hao State Key Discipline Laboratory of Wide Band Gap Semiconductor Technology&Shaanxi Joint Key Laboratory of Graphene School of MicroelectronicsXidian UniversityXi'an 710071China Guangzhou Wide Bandgap Semiconductor Innovation Center Guangzhou institute of technologyXidian UniversityGuangzhou 510555China Qinghai Huanghe Hydropower Development CO. LTD.Xining810008China

Low-temperature,ambient processing of high-quality CsPbBr_(3)films is demanded for scalable production of efficient,low-cost carbon-electrode perovskite solar cells(PSCs).Herein,we demonstrate a crystal orientation engineering strategy of PbBr_(2)precursor film to accelerate its reaction with CsBr precursor during two-step sequential deposition of CsPbBr_(3)*** a novel strategy is proceeded by adding CsBr species into PbBr_(2)precursor,which can tailor the preferred crystal orientation of PbBr_(2)film from[020]into[031],with CsBr additive staying in the film as CsPb_(2)Br_(5)*** calculations show that the reaction energy barrier of(031)planes of PbBr_(2)with CsBr is lower about 2.28 eV than that of(O2O)***,CsPbBr_(3)films with full coverage,high purity,high crystallinity,micro-sized grains can be obtained at a low temperature of 150℃.Carbon-electrode PSCs with these desired CsPbBr_(3)films yield the record-high efficiency of 10.27%coupled with excellent operation ***,the 1 cm^(2)area one with the superior efficiency of 8.00%as well as the flexible one with the champion efficiency of 8.27%and excellent mechanical bending characteristics are also achieved.

关键词： carbon-electrode perovskite solar cells crystal orientation engineering CsPbBr_(3) low temperature two-step sequential deposition

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