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Seeking magneto-structural correlations in easily tailored pentagonal bipyramid Dy (Ⅲ) single-ion magnets

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Science China Chemistry 2020年第8期63卷 1066-1074页

作者： guo-zhang huang Ze-Yu Ruan Jie-Yu Zheng Yan-Cong Chen Si-guo Wu Jun-Liang Liu Ming-Liang Tong Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education School of ChemistrySun Yat-Sen UniversityGuangzhou 510275China

Controlling molecular magnetic anisotropy via structural engineering is delicate and fascinating,especially for single-molecule magnets(SMMs).Herein a family of dysprosium single-ion magnets(SIMs)sitting in pentagonal bipyramid geometry have been synthesized with the variable-size terminal ligands and counter anions,through which the subtle coordination geometry of Dy(Ⅲ)can be finely tuned based on the size *** effective energy barrier(Ueff)successfully increases from 439 to 632 K and the magnetic hysteresis temperature(under a 200 Oe/s sweep rate)raises from 11 to 24 *** on the crystal-field theory,a semi-quantitative magneto-structural correlation deduced experimentally for the first time is revealed that the Ueff is linearly proportional to the structural-related value S20 corresponding to the axial coordination bond lengths and the bond *** the evaluation of the remanent magnetization from hysteresis,quantum tunneling of magnetization(QTM)is found to exhibit negative correlation with the structural-related value Stun corresponding to the axial coordination bond angles.

关键词： single-molecule magnets magnetic anisotropy crystal field magneto-structural correlation

The presence of phosphorylation form of D1 protein in its cross-linked aggregates in high light treated spinach leaves in vivo

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Chinese Science Bulletin 2006年第1期51卷 69-74页

作者： WEI Huimin guo Junwei zhang Shuang huang Bo LIU Yinqiu DU Linfang College of Life Science Sichuan University Chengdu 610064 China

In the present study, using specific antibody against D1 protein, we detected four ag- gregates of D1 protein in thylakoid membranes from spinach leaves illuminated at high light (800―2500 μmol photons·m?2·s?1) for 3 h. Their accumulations were dependent on the light intensity to which the leaves had been subjected. Further immunoblot analysis indicated that 70 kD aggregate was a prod- uct of D1 protein cross-linked with CP43, 65 and 60 kD aggregate were two cross-linked products be- tween D1 and D2 proteins, and 41 kD aggregate was one cross-linked D1 with α-subunit of cytochrome b559 (Cyt b559). This result provided the evidence for the existence of the aggregation of the D1 protein in vivo. The maximal level of D1/Cyt b559 aggregate occurred at 1000 μmol photons·m?2·s?1 but drastically decreased with further increasing light intensity. Im- munoblot analysis with phosphothreonine (Thr (P)) antibody indicated that D1/CP43 and D1/Cyt b559 aggregates contained the phosphorylated protein(s). In vitro dephosphorylation experiment also showed that D1/Cyt b559 and D1/CP43 aggregates lost the immunoreactivity with Thr (P) antibody after the phosphatase treatment of the membranes from high-light-illuminated leaves. Our results demon- strated that strong illumination of spinach leaves in- duced cross-linked products of D1 protein with its nearby polypeptides of PS Ⅱ , some of which con- tained the phosphorylated D1 protein.

关键词： D1蛋白质磷酸化菠菜强光处理叶片

LONG-TIME UNIFORM STABILITY OF SOLUTION TO MAGNETOHYDRODYNAMICS EQUATION

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Applied Mathematics:A Journal of Chinese Universities 1999年第1期 47-52页

作者： guo Boling\ zhang Linghai\ huang Haiyang

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mTORC2:The“Ace in the Hole”for a Broader Control of Epileptic Seizures?

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Neuroscience Bulletin 2024年第5期40卷 677-679页

作者： Shuo zhang Xiongfeng guo Wei huang Cenglin Xu Department of Pharmacy The First Affiliated Hospital of Zhejiang Chinese Medical University(Zhejiang Provincial Hospital of Chinese Medicine)Hangzhou310006China The Second Affiliated Hospital of Zhejiang Chinese Medical University(Zhejiang Xinhua Hospital) Key Laboratory of Neuropharmacology and Translational Medicine of Zhejiang ProvinceSchool of Pharmaceutical SciencesZhejiang Chinese Medical UniversityHangzhou310053China

Over 70 million people worldwide suffer from epilepsy-one of the most prevalent chronic neurological disorders[1].Despite the availability of over thirty anti-seizure drugs(ASDs)that mainly act on voltage-gated ion channels or inhibitory GABAergic receptors,the effectiveness of these drugs in achieving seizure freedom remains unsatisfactory due to pharmacoresistance and the inevitable occurrence of side-effects.

关键词： drugs spite epilepsy

A universal strategy of multi-objective active learning to accelerate the discovery of organic electrode molecules

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Science China Chemistry 2024年第11期67卷 3681-3687页

作者： Jiayi Du Jun guo Wei Liu Ziwei Li Gang huang Xinbo zhang State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied Chemistry Chinese Academy of Sciences School of Applied Chemistry and Engineering University of Science and Technology of China School of Materials Science and Engineering Changchun University of Science and Technology

Organic electrode molecules hold significant potential as the next generation of cathode materials for Li-ion batteries. In this study, we have introduced a multi-objective active learning framework that leverages Bayesian optimization and non-dominated sorting genetic algorithms-Ⅱ. This framework enables the selection of organic molecules characterized by high theoretical energy density and low gap(LUMO-HOMO)(LUMO, lowest unoccupied molecular orbital; HOMO, highest occupied molecular orbital). Remarkably, after only two cycles of active learning, the determination of coefficient can reach 0.962 for theoretical energy density and 0.920 for the gap with a modest dataset of 300 molecules, showcasing superior predictive capabilities. The 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione, selected by non-dominated sorting genetic algorithms-Ⅱ, has been successfully applied to Li-ion batteries as cathode materials, demonstrating a high capacity of 288 m Ah g-1and a long cycle life of 1,000 cycles. This outcome underscores the high reliability of our framework. Furthermore, we have also validated the universality and transferability of our framework by applying it to two additional databases, the QM9 and OMEAD. When the training dataset of the model includes at least 500 molecules, the determination of coefficient essentially reaches approximately0.900 for four targets: gap, reduction potential, LUMO, and HOMO. Therefore, the universal framework in our work provides innovative insights applicable to other domains to expedite the screening process for target materials.

关键词： organic electrode molecules Li-ion batteries active learning multi-objective Bayesian optimization

Emerging high-entropy strategy: A booster to the development of cathode materials for power batteries

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Journal of Advanced Ceramics 2024年第8期13卷 1093-1118页

作者： Liping huang Jinging Zhu J-Xuan Liu Houzheng Wu guo-Jun zhang State Key Laboratory for Modification of Chemical Fibers and Polymer Materials Institute of Functional MaterialsCollege of Materials Science and EngineeringDonghua UniversityShanghai 201620China SIAMC Advanced Materials Cooperation Huzhou 313100China

The coordinated development of new energy vehicles and the energy storage industry has become essential for reducing carbon *** cathode material is the key material that determines the energy density and cost of a power battery,but currently developed and applied cathode materials cannot meet the requirements for high specific capacity,low cost,safety,and good ***-entropy materials(HEMs)are a new type of single-phase material composed of multiple principal elements in equimolar or near-equimolar *** interaction between multiple elements can play an important role in improving the comprehensive properties of the material,which is expected to solve the limitations of battery materials in practical ***,this review provides a comprehensive overview of the current development status and modification strategies of power batteries(lithium-ion batteries(LiBs)and sodium-ion batteries(SIBs)),proposes a high-entropy design strategy,and analyses the structure-activity relationship between the high-entropy effects and battery ***,future research topics related to high-entropy cathode materials,including computational guide design,specific synthesis methods,high-entropy electrochemistry,and high-throughput databases,are *** review aims to provide practical guidance for the development of high-entropy cathode materials for next-generation power batteries.

关键词： cathode materials lithium-ion battery(LIB) sodium-ion battery(SIB) high-entropy strategy

Species profile and reactivity of volatile organic compounds emission in solvent uses,industry activities and from vehicular tunnels

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Journal of Environmental Sciences 2024年第1期135卷 546-559页

作者： Haimei huang zhangwei Wang Chunhao Dai Hai Wu Jia guo Chunjie Wang Xiaoshan zhang State Key Laboratory of Urban and Regional Ecology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China University of Chinese Academy of Sciences Beijing 100049China Hunan Agricultural University Changsha 430106China National Institute of Metrology Beijing 100029China

A survey was conducted of the volatile organic compounds(VOCs)released from sources of solvent use,industry activities and vehicle emissions in Guiyang,a capital city of *** were collected by canisters and analyzed by *** species profiles of VOCs emitted from sources were *** showed that xylenes,ethylbenzene,acetone and dichloromethane were the characteristics species for painting,2-propanol and ethyl acetate for printing,α-pinene for solid wood furniture manufacturing,and 2-butanone for biscuit *** characteristics species could be as tracers for the sources *** most of samples from the solvent use,the benzene/toluene(B/T)ratio was less than 0.3,indicating that the ratio could be as the indicator for tracing the solvent use related *** results also suggested that the toluene/xylene(T/X)ratio be as the indicator to distinguish the VOCs sources of painting(2).Aromatics contributed the most to ozone formation potential(OFP)of most painting and non-paper printing sources,and oxygen-containing VOCs(OVOCs)were major species contributing to OFP of the sources from food production and paper *** OFP of the VOCs emissions from vehicle in tunnels and from other manufactures were dominated by both aromatics and ***α-pinene could explain 56.94%and 32.54%of total OFP of the VOCs sources from filing cabinet and solid wood furniture manufacturing,which was rarely been involved in previous studies of VOCs source profiles,indicating that the species of concern for VOCs sources are still insufficient at present.

关键词： Volatile organic compounds(VOCs) Species profile BTEX ratio Source reactivity

Mechanical properties and thermal deformation behavior of low-cost titanium matrix composites prepared by a structure-optimized Y_(2)O_(3) crucible

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Journal of Iron and Steel Research International 2024年第3期31卷 738-751页

作者： Qian Dang Gang huang Ye Wang Chi zhang guo-huai Liu Zhao-dong Wang The State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819LiaoningChina School of Materials Science and Chemical Engineering Harbin University of Science and TechnologyHarbin 150004HeilongjiangChina School of Materials Science and Engineering Shenyang University of TechnologyShenyang 110870LiaoningChina

A porous yttrium oxide crucible with both thermal shock resistance and erosion resistance was developed by structural *** structure-optimized yttrium oxide crucible was proved to be suitable for melting highly reactive titanium ***-cost(TiB+Y2O_(3))-reinforced titanium matrix composites were prepared by vacuum induction melting using the prepared *** thermal deformation behavior and microstructure evolution of(TiB+Y2O_(3))-reinforced tita-nium matrix composites were investigated at deformation temperatures of 900-1100℃with strain rates of 0.001-1 *** results showed that the prepared yttrium oxide crucible had both thermal shock and erosion resistance,the low-cost titanium matrix composites could be prepared by the developed yttrium oxide crucibles which were homogeneous in composition and highly sensitive to strain rate and deformation temperature,and the peak and theological stresses decreased with increasing deformation temperature or decreasing strain *** addition,the average thermal deformation activation energy of the composites was calculated to be 574.6 kJ/mol by establishing the Arrhenius constitutive equation in consideration of the strain variables,and the fitting goodness between the predicted stress value and the measured value was 97.624%.The calculated analysis of the hot processing map showed that the best stable thermal deformation zone was located in the deformation temperature range of 1000-1100℃and strain rate range of 0.001-0.01 s^(-1),where the peak dissipation coefficient wasη=71%.In this zone,the deformation of the reinforcement and matrix was harmonious,the reinforcement was less likely to fracture,dynamic recrystallization occurred more fully and the alloy exhibited near steady rheological characteristics.

关键词： Yttrium oxide crucible Titanium matrix composite Thermal deformation behavior Constitutive equation Hot processing map Microstructure evolution

Solid superacid catalysts promote high-performance carbon dots with narrow-band fluorescence emission for luminescence solar concentrators

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Chinese Chemical Letters 2024年第8期35卷 437-442页

作者： Rui Cheng Xin huang Tingting zhang Jiazhuang guo Jian Yu Su Chen State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 210009China Jiangsu Key Laboratory of Fine Chemicals and Functional Polymer Materials Nanjing 210009China

Facile and efficient method for constructing carbon dots(CDs)with narrow full width at half maximum(FWHM)is a major challenge in the field,and researches on regulating the FWHM of CDs are also rare and *** this work,we delved into the synthesis of CDs with narrow fluorescence emission FWHM(NFEF-CDs)in the m-phenylenediamine(m-PD)/ethanol system,utilizing solid superacid resin as cata-lyst with solvothermal *** resulting NFEF-CDs exhibit a photoluminescent(PL)emission peak at 521 nm with a narrow FWHM of 41 nm,an absolute PL quantum yield(QY)of 80%,and display excitation-independent PL *** comprehensive characterization,we identified the protonation of edge amino on NFEF-CDs as the key factor in achieving the narrow ***,we validated the broad applicability of solid superacid resins as catalysts for synthesizing CDs with narrow FWHM in the m-PD/ethanol ***,we utilized a self-leveling method to prepare NFEF-CDs film on the surface of poly(methyl methacrylate)(PMMA)substrate and investigated the solid-state fluorescence properties of NFEF-CDs as well as their performance as luminescence solar concentrator(LSC)for photovoltaic *** results revealed that the as-prepared LSC exhibit an internal quantum efficiency(η_(int))of 42.39%and an optical efficiency(η_(opt))of 0.68%.These findings demonstrate the promising prospects of NFEF-CDs in the field of LSCs and provide a theoretical basis for their application in photovoltaic conversion.

关键词： Carbon dots Narrow full width at half maximum Solid-state fluorescence Luminescence solar concentrators Photovoltaic conversion