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Theoretical study on twisted intramolecular charge transfer of 1-aminoanthraquinone in different solvents

Chinese Physics B 2018年第8期27卷 224-228页

作者： Si-Mei Sun Song Zhang Chao Jiang xiao-shan guo Yi-Hui Hu Hubei Key Laboratory of Pollutant Analysis and Reuse Technology College of Physics and Electronic ScienceHubei Normal UniversityHuangshi 435002China State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and Mathematics Chinese Academy of SciencesWuhan 430071China

The twisted intramolecular charge transfer and the excited state relaxation of 1-aminoanthraquinone （1-NH2-AQ） in different solvents are investigated using quantum chemical calculations in this paper. The geometries of the ground state are optimized both in gas and solvents based on the high-level ab initio calculations, the lowest excited singlet state geometry is optimized only in gas for simplicity. An intramolecular charge transfer property is substantiated by the large change of dipole moments between the So and S1 states. The mechanism of twisted intramolecular charge transfer is proposed by the conformational relaxation on the potential surface of the $1 state. Quantum chemical calculations present that internal conversion and intersystem crossing are important approaches to the ultrafast deactivation of the S~ state via the twisting of the amino group, The smaller energy difference between the So and S1 state shows that the internal conversion process is much faster in a polar solvent than in a nonpolar solvent. Energy intersections between the T2 and S1 state in cyclohexane and dioxane indicate a faster intersystem crossing process in them than in ethanol. These theoretical results agree well with the previous experimental results. Energy barriers are predicted on the potential surface of the S1 state, and they have a positive correlation to solvent viscosity, and the timescale of twisted intra-molecular charge transfer in dioxane is predicted to be longer than in cyclohexane and ethanol.

关键词： 1-aminoanthraquinone conformational relaxation twisted intra-molecular charge transfer quan-tum chemical calculations

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Treatment of 42 Cases of Depression by Acupuncture Therapy plus Tuina Therapy

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Journal of Acupuncture and Tuina Science 2003年第4期1卷 20-21页

作者： DU Liang-dong DU xiao-shan HUANG guo-qi Chinese Medicine Hospital of Wuxi Municipality Jiangsu 214001 China Chinese Medicine Hospital of Wuxi Municipality Jiangsu 214001 China

In 42 cases of depression treated by acupuncture therapy plus Tuina therapy, the results showed cure in 23 cases, remarkable effect in 17 cases and failure in 2 cases. Key Words Acupuncture Therapy - Tuina - Massage ... 详细信息

关键词： Acupuncture Therapy Tuina Massage Depression

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Coxsackievirus B3-induced apoptosis and Caspase-3

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Cell Research 2003年第3期13卷 203-209页

作者： JIAN PING YUAN,WEI ZHAO,HONG TAO WANG,KAI Yu WU,TAO LI,xiao KUI guo,shan QING TONGDepartment of Microbiology and Parasitology,shanghai Second Medical University,shanghai 200025,China Department of Microbiology and Parasitology Shanghai Second Medical University Shanghai China

Cell death can be classified into two categories: apoptosis and necrosis. Apoptotic pathway can beeither caspase-dependent or caspase-independent. Caspase-independent cytopathic effect (CPE) has beendescribed. In order to evaluate the pattern of HeLa cell death induced by Coxsackievirus B3 (CVB3)and whether apoptosis involves caspase activation, we co-cultivated HeLa cells with CVB3 and detectedthe cytopathic changes, the alteration of mRNA and protein expression of caspase-3 gene plus caspase-3activity, as well as analyzing DNA fragmentation before and after caspase-3 activity inhibition. Accordingto the results, we propose that CVB3 may induce apoptosis and necrosis in HeLa cells, the latter appearingmuch earlier. Caspase-3 is activated at the levels of both transcription and translation, and procaspase-3 isproteolytically cleaved, thus leading to the continuous increasing of both caspase-3 precursor protein and itssubunit. However, besides CPE, apoptosis induced by CVB3 is not a direct consequence of

关键词： Coxsackievirus B3 (CVB3) apoptosis. caspase-3.

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Treadmill exercise in combination with acousto-optic and olfactory stimulation improves cognitive function in APP/PS1 mice through the brain-derived neurotrophic factor-and Cygb-associated signaling pathways

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Neural Regeneration Research 2025年第9期20卷 2706-2726页

作者： Biao xiao Chaoyang Chu Zhicheng Lin Tianyuan Fang Yuyu Zhou Chuxia Zhang Jianghui shan Shiyu Chen Liping Li Department of Physiology and Pharmacology Health Science CenterNingbo UniversityNingboZhejiang ProvinceChina Ningbo Key Laboratory of Behavioral Neuroscience Health Science CenterNingbo UniversityNingboZhejiang ProvinceChina Key Laboratory of Addiction Research of Zhejiang Province NingboZhejiang ProvinceChina

A reduction in adult neurogenesis is associated with behavioral abnormalities in patients with Alzheimer's ***,enhancing adult neurogenesis represents a promising therapeutic approach for mitigating disease symptoms and ***,nonpharmacological interventions aimed at inducing adult neurogenesis are currently *** individual non-pharmacological interventions,such as aerobic exercise,acousto-optic stimulation,and olfactory stimulation,have shown limited capacity to improve neurogenesis and cognitive function in patients with Alzheimer's disease,the therapeutic effect of a strategy that combines these interventions has not been fully *** this study,we observed an age-dependent decrease in adult neurogenesis and a concurrent increase in amyloid-beta accumulation in the hippocampus of amyloid precursor protein/presenilin 1 mice aged 2-8 *** deposition became evident at 4 months,while neurogenesis declined by 6 months,further deteriorating as the disease ***,following a 4-week multifactor stimulation protocol,which encompassed treadmill running(46 min/d,10 m/min,6 days per week),40 Hz acousto-optic stimulation(1 hour/day,6 days/week),and olfactory stimulation(1 hour/day,6 days/week),we found a significant increase in the number of newborn cells(5'-bromo-2'-deoxyuridine-positive cells),immature neurons(doublecortin-positive cells),newborn immature neurons(5'-bromo-2'-deoxyuridine-positive/doublecortin-positive cells),and newborn astrocytes(5'-bromo-2'-deoxyuridine-positive/glial fibrillary acidic protein-positive cells).Additionally,the amyloid-beta load in the hippocampus *** findings suggest that multifactor stimulation can enhance adult hippocampal neurogenesis and mitigate amyloid-beta neuropathology in amyloid precursor protein/presenilin 1 ***,cognitive abilities were improved,and depressive symptoms were alleviated in amyloid precursor protein/presenilin 1 mice

关键词： acousto-optic stimulation adult neurogenesis Alzheimer's disease amyloid precursor protein/presenilin 1 mice amyloid-beta deposition brain cell apoptosis cognitive impairment depression-like behavior involuntary treadmill exercise olfactory stimulation serum metabolites

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Interfacial Zn2+-solvation regulator towards reversible and stable Zn anode

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Journal of Energy Chemistry 2025年第1期100卷 684-692页

作者： Miao Zhou Xiongbin Luo Hang Li shan guo Zhuang Tong xiaotao Zhou Xu Li Zhaohui Hou Shuquan Liang guozhao Fang College of Mechanical Engineering Key Laboratory of Hunan Province for Advanced Carbon-based Functional Materials Hunan Institute of Science and Technology School of Materials Science and Engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan Province Central South University College of Materials and Metallurgy Guizhou University National Energy Metal Resources and New Materials Key Laboratory Central South University

Aqueous zinc-ion batteries （AZIBs） are fundamentally challenged by the instability of the electrode/electrolyte interface,predominantly due to irreversible zinc （Zn） deposition and hydrogen ***,the intricate mechanisms behind the electrochemical discrepancies induced by interfacial Zn2+-solvation and deposition behavior demand comprehensive *** molecules endowed with special functional groups （such as hydroxyl,carboxyl,etc.） have the potential to significantly optimize the solvation structure of Zn2+and regulate the interfacial electric double layer （EDL）.By increasing nucleation overpotential and decreasing interfacial free energy,these functional groups facilitate a lower critical nucleation radius,thereby forming an asymptotic nucleation model to promote uniform Zn ***,this study presents a pioneering approach by introducing trace amounts of n-butanol as solvation regulators to engineer the homogenized Zn （H-Zn） anode with a uniform and dense *** interfacial reaction and structure evolution are explored by in/ex-situ experimental techniques,indicating that the H-Zn anode exhibits dendrite-free growth,no by-products,and weak hydrogen evolution,in sharp contrast to the bare ***,the H-Zn anode achieves a remarkable Zn utilization rate of approximately 20% and simultaneously sustains a prolonged cycle life exceeding 500 ***,the H-Zn//NH4V4O10（NVO） full battery showcases exceptional cycle stability,retaining 95.04%capacity retention after 400 cycles at a large current density of 5 A *** study enlightens solvation-regulated additives to develop Zn anode with superior utilization efficiency and extended operational lifespan.

关键词： Aqueous zinc-ion batteries Interfacial reaction Asymptotic nucleation model Reversible and stable Zn anode

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Graphene Aerogel Composites with Self‑Organized Nanowires‑Packed Honeycomb Structure for Highly Efficient Electromagnetic Wave Absorption

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Nano-Micro Letters 2025年第2期17卷 533-547页

作者： xiao You Huiying Ouyang Ruixiang Deng Qiuqi Zhang Zhenzhong Xing xiaowu Chen Qingliang shan Jinshan Yang Shaoming Dong State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China Key Laboratory of Inorganic Coating Materials CAS Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China Structural Ceramics and Composites Engineering Research Center Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049People’s Republic of China School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210People’s Republic of China School of Materials Science and Engineering Zhejiang Sci-Tech UniversityHangzhou 310018People’s Republic of China University of Chinese Academy of Sciences Beijing 100039People’s Republic of China

With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave ***,a hierarchical porous structure and composite heterogeneous interface are constructed successfully to optimize the electromagnetic loss *** macro–micro-synergistic graphene aerogel formed by the ice template‑assisted 3D printing strategy is cut by silicon carbide nanowires(SiC_(nws))grown in situ,while boron nitride(BN)interfacial structure is introduced on graphene *** unique composite structure forces multiple scattering of incident EMWs,ensuring the combined effects of interfacial polarization,conduction networks,and magnetic-dielectric ***,the as-prepared composites present a minimum reflection loss value of−37.8 dB and a wide effective absorption bandwidth(EAB)of 9.2 GHz(from 8.8 to 18.0 GHz)at 2.5 ***,relying on the intrinsic high-temperature resistance of SiC_(nws) and BN,the EAB also remains above 5.0 GHz after annealing in air environment at 600℃ for 10 h.

关键词： Hierarchical porous structure Interface High-temperature resistance Graphene aerogel composites Electromagnetic wave absorption

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Effects of the extrusion parameters on microstructure,texture and room temperature mechanical properties of extruded Mg-2.49Nd-1.82Gd-0.2Zn-0.2Zr alloy

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 136-146页

作者： Chenjin Zhang Guangyu Yang Lei xiao Zhiyong Kan Jing guo Qiang Li Wanqi Jie State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China College of Materials Science and Engineering Fuzhou UniversityFuzhou 350108China College of Chemistry and Environmental Science Qujing Normal UniversityQujing 655011China

Microstructure,texture,and mechanical properties of the extruded Mg-2.49Nd-1.82Gd-0.2Zn-0.2Zr alloy were investigated at different extrusion temperatures(260 and 320℃),extrusion ratios(10:1,15:1,and 30:1),and extrusion speeds(3 and 6 mm/s).The experimental results exhibited that the grain sizes after extrusion were much finer than that of the homogenized alloy,and the second phase showed streamline distribution along the extrusion direction(ED).With extrusion temperature increased from 260 to 320℃,the microstructure,texture,and mechanical properties of alloys changed *** dynamic recrystallization(DRX)degree and grain sizes enhanced as the extrusion ratio increased from 10:1 to 30:1,and the strength gradually decreased but elongation(EL)*** the extrusion speed increased from 3 to 6 mm/s,the grain sizes and DRX degree increased significantly,and the samples presented the typical-rare-earth(RE)*** alloy extruded at 260℃ with extrusion ratio of 10:1 and extrusion speed of 3 mm/s showed the tensile yield strength(TYS)of 213 MPa and EL of 30.6%.After quantitatively analyzing the contribution of strengthening mechanisms,it was found that the grain boundary strengthening and dislocation strengthening played major roles among strengthening *** results provide some guidelines for enlarging the industrial application of extruded Mg-RE alloy.

关键词： Mg-rare earth alloys extrusion temperature extrusion ratio extrusion speed strengthening mechanisms

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Reduced mesencephalic astrocyte-derived neurotrophic factor expression by mutant androgen receptor contributes to neurodegeneration in a model of spinal and bulbar muscular atrophy pathology

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Neural Regeneration Research 2025年第9期20卷 2655-2666页

作者： Yiyang Qin Wenzhen Zhu Tingting guo Yiran Zhang Tingting Xing Peng Yin Shihua Li xiao-Jiang Li Su Yang Guangdong Key Laboratory of Non-human Primate Research Key Laboratory of CNS Regeneration(Ministry of Education)Guangdong–HongKong–Macao Institute of CNS RegenerationJinan UniversityGuangzhouGuangdong ProvinceChina

Spinal and bulbar muscular atrophy is a neurodegenerative disease caused by extended CAG trinucleotide repeats in the androgen receptor gene,which encodes a ligand-dependent transcription facto *** mutant androgen receptor protein,characterized by polyglutamine expansion,is prone to misfolding and forms aggregates in both the nucleus and cytoplasm in the brain in spinal and bulbar muscular atrophy *** aggregates alter protein-protein interactions and compromise transcriptional *** this study,we reported that in both cultured N2a cells and mouse brain,mutant androgen receptor with polyglutamine expansion causes reduced expression of mesencephalic astrocyte-de rived neurotrophic *** n of mesencephalic astrocyte-derived neurotrophic factor amelio rated the neurotoxicity of mutant androgen receptor through the inhibition of mutant androgen receptor *** down endogenous mesencephalic astrocyte-derived neurotrophic factor in the mouse brain exacerbated neuronal damage and mutant androgen receptor *** findings suggest that inhibition of mesencephalic astrocyte-derived neurotrophic factor expression by mutant androgen receptor is a potential mechanism underlying neurodegeneration in spinal and bulbar muscular atrophy.

关键词： androgen receptor mesencephalic astrocyte-derived neurotrophic factor mouse model neurodegeneration neuronal loss neurotrophic factor polyglutamine disease protein misfolding spinal and bulbar muscular atrophy transcription factor

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Advances in Graphene‑Based Electrode for Triboelectric Nanogenerator

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Nano-Micro Letters 2025年第1期17卷 378-403页

作者： Bin Xie Yuanhui guo Yun Chen Hao Zhang Jiawei xiao Maoxiang Hou Huilong Liu Li Ma Xin Chen Chingping Wong State Key Laboratory of Precision Electronic Manufacturing Technology and Equipment Guangdong University of TechnologyGuangzhou 510006People’s Republic of China School of Electromechanical Engineering Guangdong University of TechnologyGuangzhou 510006People’s Republic of China School of Materials Science and Engineering Georgia Institute of TechnologyAtlantaGA 30332USA

With the continuous development of wearable electronics,wireless sensor networks and other micro-electronic devices,there is an increasingly urgent need for miniature,flexible and efficient nanopower generation *** nanogenerator(TENG)technology can convert small mechanical energy into electricity,which is expected to address this *** the core component of TENG,the choice of electrode materials significantly affects its *** metal electrode materials often suffer from problems such as durability,which limits the further application of ***,as a novel electrode material,shows excellent prospects for application in TENG owing to its unique structure and excellent electrical *** review systematically summarizes the recent research progress and application prospects of TENGs based on graphene *** precision processing methods of graphene electrodes are introduced,and the applications of graphene electrode-based TENGs in various scenarios as well as the enhancement of graphene electrodes for TENG performance are *** addition,the future development of graphene electrode-based TENGs is also prospectively discussed,aiming to promote the continuous advancement of graphene electrode-based TENGs.

关键词： Triboelectric nanogenerator Precision processing Graphene electrode Self-powered sensor

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TRACKING ERROR REDUCTION IN CNC MACHINING BY RESHAPING THE KINEMATIC TRAJECTORY

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Journal of Systems Science & Complexity 2013年第5期26卷 817-835页

作者： guo Jianxin ZHANG Qiang GAO xiao-shan Academy of Mathematics and Systems Science Chinese Academy of Sciences College of Information and Control Engineering China University of Petroleum(East China)

In this paper,a method of reducing the tracking error in CNC machining is *** structured neural network is used to approximate the discontinuous friction in CNC machining,which has jump points and *** the estimated nonlinear friction function,the reshaped trajectory can be computed from the desired one by solving a second order ODE such that when the reshaped trajectory is fed into the CNC controller,the output is the desired trajectory and the tracking error is eliminated in certain *** proposed reshape method is also shown to be robust with respect to certain parameters of the dynamic system.

关键词： CNC controller robustness structured neural network tracking error.

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