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Qualitative analysis of aromatic compounds via 1D TOCSY techniques

Magnetic Resonance Letters 2024年第1期4卷 21-27页

作者： Wenbo dong qi Zhao Jiancheng Zhao Jiarong Zhang Yingxiong Wang Yan qiao State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of Sciences27 South Taoyuan RoadTaiyuan030001China Graduate University of Chinese Academy of Sciences Beijing100049China Marine Biomedical Research Institution Guangdong Medical UniversityZhanjiang524023China College of Chemistry Taiyuan University of Technology79 Yingze West StreetWanbailin DistrictTaiyuan030024China

The aromatic compounds,including o-xylene,m-xylene,p-xylene,and ethylbenzene,primarily originate from the catalytic reforming of crude oil,and have a wide variety of ap***,because of similar physical and chemical properties,these compounds are difficult to be identified by gas chromatography(GC)without standard *** the development of modern nuclear magnetic resonance(NMR)techniques,NMR has emerged as a powerful and efficient tool for the rapid analysis of complex and crude mixtures without *** this study,the parameters of one-dimensional(1D)total correlation spectroscopy(TOCSY)NMR techniques,including 1D selective gradient TOCSY and 1D chemicalshift-selective filtration(CSSF)with TOCSY,were optimized to obtain comprehensive molecular structure *** results indicate that the overlapped signals in NMR spectra of nonpolar aromatic compounds(including o-xylene,m-xylene,p-xylene and ethylbenzene),polar aromatic compounds(benzyl alcohol,benzaldehyde,benzoic acid),and aromatic compounds with additional conjugated bonds(styrene)can be resolved in 1D *** importantly,full molecular structures can be clearly distinguished by setting appropriate mixing time in 1D *** approach simplifies the NMR spectra,provides structural information of entire molecules,and can be applied for the analysis of other structural isomers.

关键词： 1D TOCSY NMR technologies Xylenes Aromatic compounds Structure information of entire molecular Qualitative analysis

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In-situ sludge reduction based on Mn^(2+)-catalytic ozonation conditioning:Feasibility study and microbial mechanisms

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Journal of Environmental Sciences 2024年第1期135卷 185-197页

作者： Haozhe Huang Tingting Wei Hui Wang bing Xue Sisi Chen Xiankai Wang Haibin Wu Bin dong Zuxin Xu College of Environmental Science and Engineering Tongji UniversityShanghai 200092China YANGTZE Eco-Environment Engineering Research Center China Three Gorges CorporationBeijing 100038China

To improve the sludge conditioning efficiency without increasing the ozone dose,an in-situ sludge reduction process based on Mn^(2+)-catalytic ozonation conditioning was *** ozone conditioning alone as a control,a lab-scale sequencing batch reactor coupled with ozonated sludge recycle was evaluated for its operating performance at an ozone dose of 75 mg O_(3)/g VSS and 1.5 mmol/L Mn^(2+)*** results showed a 39.4%reduction in MLSS and an observed sludge yield of 0.236 kg MLSS/kg COD for the O_(3)+Mn^(2+)group compared to the O_(3)group (15.3%and 0.292 kg MLSS/kg COD),accompanied by better COD,NH_(4)^(+)-N,TN and TP removal,improved effluent SS and limited impact on excess sludge ***,activity tests,BIOLOG ECO microplates and 16S rRNA sequencing were applied to elucidate the changing mechanisms of Mn^(2+)-catalytic ozonation related to microbial action:(1) Dehydrogenase activity reached a higher peak.(2) Microbial utilization of total carbon sources had an elevated effect,up to approximately 18%,and metabolic levels of six carbon sources were also increased,especially for sugars and amino acids most pronounced.(3) The abundance of Defluviicoccus under the phylum Proteobacteria was enhanced to 12.0%and dominated in the sludge,they had strong hydrolytic activity and metabolic *** bacteria of the genus Ferruginibacter also showed an abundance of 7.6%,they contributed to the solubilization and reduction of sludge *** results could guide researchers to further reduce ozonation conditioning costs,improve sludge management and provide theoretical support.

关键词： Activated sludge In-situ reduction Catalytic ozonation conditioning Dehydrogenase activity Carbon source utilization Microbial community

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Constructing high-toughness polyimide binder with robust polarity and ion-conductive mechanisms ensuring long-term operational stability of silicon-based anodes

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Journal of Energy Chemistry 2024年第6期93卷 580-591,I0014页

作者： Yongjun Kang Nanxi dong Fangzhou Liu Daolei Lin bingxue Liu Guofeng Tian Shengli qi Dezhen Wu State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing 100029China ENFI R&D Institute China ENFI Engineering CorporationBeijing 100038China China Automotive Battery Research Institute Co. Ltd.Beijing 101407China Changzhou Institute of Advanced Materials Beijing University of Chemical TechnologyChangzhou 213164JiangsuChina

Silicon-based materials have demonstrated remarkable potential in high-energy-density batteries owing to their high theoretical ***,the significant volume expansion of silicon seriously hinders its utilization as a lithium-ion ***,a functionalized high-toughness polyimide(PDMI) is synthesized by copolymerizing the 4,4'-Oxydiphthalic anhydride(ODPA) with 4,4'-oxydianiline(ODA),2,3-diaminobenzoic acid(DABA),and 1,3-bis(3-aminopropyl)-tetramethyl disiloxane(DMS).The combination of rigid benzene rings and flexible oxygen groups(-O-) in the PDMI molecular chain via a rigidness/softness coupling mechanism contributes to high *** plentiful polar carboxyl(-COOH) groups establish robust bonding *** ionic transport is achieved by incorporating the flexible siloxane segment(Si-O-Si),which imparts high molecular chain motility and augments free volume holes to facilitate lithium-ion transport(9.8 × 10^(-10) cm^(2) s^(-1) vs.16 × 10^(-10) cm^(2) s~(-1)).As expected,the SiO_x@PDMI-1.5 electrode delivers brilliant long-term cycle performance with a remarkable capacity retention of 85% over 500 cycles at 1.3 A g^(-1).The well-designed functionalized polyimide also significantly enhances the electrochemical properties of Si nanoparticles ***,the assembled SiO_x@PDMI-1.5/NCM811 full cell delivers a high retention of 80% after 100 *** perspective of the binder design strategy based on polyimide modification delivers a novel path toward high-capacity electrodes for high-energy-density batteries.

关键词： Polyimide binder High toughness Robust ionic transport Silicon-based anodes Lithium-ion batteries

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Atomic-Scale Insights into Damage Mechanisms of GGr15 Bearing Steel Under Cyclic Shear Fatigue

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Acta Metallurgica Sinica(English Letters) 2024年第7期37卷 1265-1278页

作者： qiao-Sheng Xia dong-Peng Hua qing Zhou Ye-Ran Shi Xiang-Tao Deng Kai-Ju Lu Hai-Feng Wang Xiu-bing Liang Zhao-dong Wang State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal MaterialsNorthwestern Polytechnical UniversityXi’an710072China State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang110819China Defense Innovation Institute Academy of Military ScienceBeijing100071China

Alternating shear stress is a critical factor in the accumulation of damage during rolling contact fatigue,severely limiting the service life of ***,the specific mechanisms responsible for the cyclic shear fatigue damage in bearing steel have not been fully *** the mechanical response and microstructural evolution of a model GGr15 bearing steel under cyclic shear loading are investigated through the implementation of molecular dynamics *** samples undergo 30 cycles under three different loading conditions with strains of 6.2%,9.2%,and 12.2%,*** findings indicate that severe cyclic shear deformation results in early cyclic softening and significant accumulation of plastic damage in the bearing ***,samples subjected to higher strain-controlled loading exhibit higher plastic strain energy and shorter fatigue ***,strain localization is identified as the predominant damage mechanism in cyclic shear fatigue of the bearing steel,which accumulates and ultimately results in fatigue ***,simulation results also revealed the microstructural reasons for the strain localization(e.g.,BCC phase transformation into FCC and HCP phase),which well explained the formation of white etching *** study provides fresh atomic-scale insights into the mechanisms of cyclic shear fatigue damage in bearing steels.

关键词： Cyclic shear fatigue Molecular dynamic simulation Bearing steels Plastic damage accumulation

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Correlation between longitudinal crack occurrence and mold heat transfer in continuous casting based on process data mining

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Journal of Iron and Steel Research(International) 2024年第5期31卷 1139-1152页

作者： Zhi-qiang Peng Zi-bing Hou Kai Yi Kun-hui Guo dong-wei Guo Guang-hua Wen College of Materials Science and Engineering Chongqing UniversityChongqing400044China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing UniversityChongqing400044China

The correlation between the longitudinal crack occurrence and integrated heat transfer of the mold with data mining methods was ***,three kinds of support vector machine models based on principal component analysis with different input features were established to explore the effect of integrated heat transfer on the accuracy of the prediction model for the longitudinal *** results show that the accuracy was improved while features including mean and standard deviation of integrated heat transfer were ***,the difference in integrated heat transfer between defect and normal samples under the same process parameters was quantitatively *** with normal samples,the temperature difference of cooling water for defect samples decreased by 0.65%,and the temperature difference fluctuation increased by 31.1%.Finally,the literature data were used to provide support for the quantitative correlation according to defect formation mechanism.A new criterion for the prediction of longitudinal crack and a discovering method for correlation between product quality and process parameters in the manufacturing industry have been provided.

关键词： Continuous casting slab Longitudinal surface crack Heat transfer Data mining Quantitative correlation

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Synergistic effects of multiscale TiC and dual-phase structure on tensile properties of particle-reinforced steel

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Journal of Iron and Steel Research(International) 2024年第5期31卷 1232-1245页

作者： Ye Jia Xiang-tao Deng qi Wang Cheng-ru Li Hao Wu Zhao-dong Wang State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang110819LiaoningChina

The conventional melting methods were used to obtain in situ TiC particle-reinforced dual-phase steel,followed by hot rolling and heat treatment *** aim was to investigate the effect of TiC particles on the fracture behavior of dual-phase steel at different annealing temperatures,by analyzing the microstructure and tensile behavior of the multiscale TiC particle-reinforced dual-phase *** results showed that TiC particles precipitated in the as-cast microstructure of dual-phase steel were distributed along the grain *** hot rolling,the grain boundary-like morphology of the micron-sized TiC particles was disrupted,and the particles became more refined and evenly distributed in the *** tensile tests revealed that the strength of the TiC particle-reinforced dual-phase steel increased with increasing martensite content,while the elongation *** results were similar to those of conventional *** addition of 1 vol.%multiscale TiC particles improved the strength of the dual-phase steel but did not affect elongation of the *** and holes were primarily concentrated around the TiC particles rather than at the interface of martensite and *** main causes of crack sprouting were TiC particle interface cracking and TiC particle internal ***,the study demonstrated the potential of multiscale TiC particle-reinforced dual-phase steel as a strong and tough *** refined distribution of TiC particles in the matrix improved the strength of the material without compromising its *** results also highlighted the importance of careful selection of reinforcement particles to avoid detrimental effects on the fracture behavior of the material.

关键词： TiC particle Dual-phase structure TiC-reinforced dual-phase steel Tension Fracture behavior

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Metabolic memory:mechanisms and diseases

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Signal Transduction and Targeted Therapy 2024年第3期9卷 1086-1114页

作者： Hao dong Yuezhang Sun Lulingxiao Nie Aimin Cui Pengfei Zhao Wai Keung Leung qi Wang State Key Laboratory of Oral Diseases&National Center for Stomatology&National Clinical Research Center for Oral Diseases West China Hospital of StomatologySichuan UniversityChengduChina Department of Prosthodontics West China Hospital of StomatologySichuan UniversityChengduChina Periodontology and Implant Dentistry Division Faculty of DentistryThe University of Hong KongHong KongChina

Metabolic diseases and their complications impose health and economic burdens *** from past experimental studies and clinical trials suggests our body may have the ability to remember the past metabolic environment,such as hyperglycemia or hyperlipidemia,thus leading to chronic inflammatory disorders and other diseases even after the elimination of these metabolic *** long-term effects of that aberrant metabolism on the body have been summarized as metabolic memory and are found to assume a crucial role in states of health and *** molecular mechanisms collectively participate in metabolic memory management,resulting in different cellular alterations as well as tissue and organ dysfunctions,culminating in disease progression and even affecting *** elucidation and expansion of the concept of metabolic memory provides more comprehensive insight into pathogenic mechanisms underlying metabolic diseases and complications and promises to be a new target in disease detection and ***,we retrace the history of relevant research on metabolic memory and summarize its salient *** provide a detailed discussion of the mechanisms by which metabolic memory may be involved in disease development at molecular,cellular,and organ levels,with emphasis on the impact of epigenetic ***,we present some of the pivotal findings arguing in favor of targeting metabolic memory to develop therapeutic strategies for metabolic diseases and provide the latest reflections on the consequences of metabolic memory as well as their implications for human health and diseases.

关键词： diseases metabolism alterations

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Natural product-induced oxidative stress-synergistic anti-tumor effects of chemotherapeutic agents

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Traditional Medicine Research 2024年第3期9卷 10-23页

作者： Shu-Fan Wang Shi-qi dong Quan dong Wen-Xin Lin Mei dong Duo Liu Department of Pharmacy Harbin Medical University Cancer HospitalHarbin 150086China

Reactive oxygen species are closely related to tumor *** recent years,reactive oxygen species has become a hot spot in tumor therapy,and many natural substances in nature contain compound components with anti-tumor ***,there is a lack of discussion on the synergistic anti-tumor effects of natural products in combination with chemotherapeutic drugs through reactive oxygen *** terms“natural products”,“reactive oxygen species”,“anti-tumor”,and“chemotherapy”were used to identify the synergistic effects of natural *** conducted a systematic literature search in PubMed and Web of Science databases for relevant research articles and reviews published in recent *** systematically summarized the studies related to anti-tumor active ingredients in natural compounds in the field of reactive oxygen species in recent years.A total of 77 relevant literatures were *** them,45 literatures containing various natural products such as terpenoids,flavonoids,alkaloids,*** anti-tumor effects by regulating reactive oxygen species levels,and 32 literatures regarding adjunctive role of natural products in anti-tumor *** this study,we found that natural products exert anti-tumor effects by elevating reactive oxygen species *** provides strong theoretical support for future clinical studies.

关键词： nature products tumor reactive oxygen species combination chemotherapy oxidative stress

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Investigating Load Regulation Characteristics of a Wind-PV-Coal Storage Multi-Power Generation System

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Energy Engineering 2024年第4期121卷 913-932页

作者： Zhongping Liu Enhui Sun Jiahao Shi Lei Zhang qi Wang Jiali dong Sinopec Star Co. Ltd.Zhengzhou450000China Hebei Key Laboratory of Low Carbon and High Efficiency Power Generation Technology North China Electric Power UniversityBaoding071003China

There is a growing need to explore the potential of coal-fired power plants(CFPPs)to enhance the utilization rate of wind power(wind)and photovoltaic power(PV)in the green energy *** study developed a load regulation model for a multi-power generation system comprising wind,PV,and coal energy storage using realworld *** power supply process was divided into eight fundamental load regulation scenarios,elucidating the influence of each scenario on load *** the framework of the multi-power generation system with the wind(50 MW)and PV(50 MW)alongside a CFPP(330 MW),a lithium-iron phosphate energy storage system(LIPBESS)was integrated to improve the system’s load regulation *** energy storage operation strategy was formulated based on the charging and discharging priority of the LIPBESS for each basic scenario and the charging and discharging load calculation method of LIPBESS auxiliary *** optimization using the particle swarm algorithm,the optimal capacity of LIPBESS was determined to be within the 5.24-4.88 MWh *** an economic perspective,the LIPBESS operating with CFPP as the regulating power source was 49.1% lower in capacity compared to the renewable energy-based storage mode.

关键词： Wind power coal-fired power PV multi-power generation system lithium-iron phosphate energy storage system

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Differentiated self-assembly through orthogonal noncovalent interactions towards the synthesis of two-dimensional woven supramolecular polymers

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Chinese Chemical Letters 2024年第5期35卷 179-182页

作者： Zhenzhu Wang Chenglong Liu Yunpeng Ge Wencan Li Chenyang Zhang bing Yang Shizhong Mao Zeyuan dong State Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun 130012China Center for Supramolecular Chemical Biology Jilin UniversityChangchun 130012China

Molecular weaving is a powerful approach to make molecularly woven materials that have showed unprecedented characteristics and properties intrinsically distinct to those of non-woven *** here report a facile and efficient approach for the synthesis of 2D woven supramolecular polymers by differentiated self-assembly through orthogonal noncovalent ***,the difference in binding strength of two orthogonal noncovalent interactions can be used to control the process of molecular ***,single-layered 2D woven supramolecular polymers were synthesized and fully characterized by various *** study demonstrates a controllable method for molecular weaving,and will significantly hasten the development of molecularly woven materials.

关键词： Differentiated self-assembly Double-stranded helix Molecular weaving Supramolecular chemistry Two-dimensional polymer

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