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Frontiers of Chemical Science and Engineering 2024年第8期18卷 25-35页

作者： Kai Bian Sirui Liu Huahua Fan Guanghui Zhang Xinwei Zhang Gideon Abaidoo Ocran Mingrui Wang Quanjie Liu Xiaowa Nie Shuandi Hou Xinwen Guo Sinopec Dalian research Institute of Petroleum and Petrochemicals Dalian 116045China State Key Laboratory of fine chemicals Frontier Science Center for Smart MaterialsPSU-DUT Joint Center for Energy ResearchSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China

Unraveling the structure-activity relationship and improving the catalytic performance is paramount in propane dehydro-aromatization reactions. Herein, a tandem catalyst with high propane dehydro-aromatization reaction performance was prepared via coupling the PtFe@S-1 with Zn/ZSM-5 zeolites (PtFe@S-1&1.0Zn/ZSM-5), which exhibits high dehydrogenation activity, aromatics selectivity (~60% at ~78% propane conversion), and stability. The addition of zinc inhibits the cleavage of C_(6)^(=) intermediates on ZSM-5 and promotes the aromatization pathway by weakening zeolite acid strength, significantly improving the selectivity to aromatics. This understanding of the structure-activity relationship in propane dehydro-aromatization reaction helps develop future high-performance catalysts.

关键词： propane dehydro-aromatization reaction tandem catalysts the structure-activity relationship of zinc species

Indium Trichloride-Mediated Facile Synthesis of 3-（Substituted methyithio）-4-phenyl-5-（3,4,5-trimethoxyphenyl）- 4H-1,2,4-triazole in Water

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Chinese Journal of Chemistry 2006年第9期24卷 1263-1266页

作者：杨松刘杰宋宝安金林红胡德禹 center for research and development of fine chemicals Key Laboratory of Green Pesticide and Agricultural Bioengineering Ministry of Education Guizhou Universio Guiyang 550025 China

An environmentally benign and efficient process for the preparation of 3-（substituted methylthio）-4-phenyl-5- （3,4,5-trimethoxyphenyl）-4H-1,2,4-triazole was achieved by the reaction of 4-phenyl-5-（3,4,5-trimethoxyphenyl）- 4H- 1,2,4-triazole-3-thiol with different halides in aqueous media mediated by indium trichloride in high yields.

关键词： thioether 1,2,4-triazole indium trichloride synthesis

Unveiling structural evolution of Fe single atom catalyst in nitrate reduction for enhanced electrocatalytic ammonia synthesis

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Nano research 2024年第8期17卷 6826-6832页

作者： Xusheng Cheng Wenzhe Shang Yuehui Li Jinwen Hu Jingya Guo Dequan Cao Naitian Zhang Songlin Zhang Suchan Song Tianna Liu Wei Liu Yantao Shi State Key Laboratory of fine chemicals Frontier Science Center for Smart MaterialsSchool of ChemistryDalian University of TechnologyDalian 116024China

Atomic transition metal–nitrogen–carbon electrocatalysts exhibit outstanding activity in various electrocatalytic *** challenge lies in predicting the structure of the active center,which may undergo changes under applied potential and interact with reactants or *** characterization techniques,particularly in-situ X-ray absorption spectroscopy(XAS),provide crucial insights into the structural evolution of the metal active center during the *** this study,nitrate reduction to ammonia(NO_(3)RR)was selected as a model reaction,and we introduced in-situ XAS to reveal the structural evolution during the catalytic process.A novel single atom catalyst of iron loaded on three-dimensional nitrogen–carbon nanonetwork(designated as Fe SAC/NC)was successfully *** unraveled the structural transformations occurring as pyrrole-N_(4)-Fe transitions to pyrrole-N_(3)-Fe throughout the NO_(3)RR ***,the Fe SAC/NC catalyst exhibited excellent catalytic activity,achieving a Faradaic efficiency of 98.2% and an ammonia generation rate of 22,515μg·h^(−1)·mgcat−1 at−0.8 V versus reversible hydrogen *** calculations combined with in-situ spectroscopic characterization showed that pyrrole-N_(3)-Fe reduced the energy barrier from *NO to*NHO and improved the selectivity of *** provides a robust reference for the design of efficient nitrate-to-ammonia synthesis catalysts.

关键词： structural evolution Fe single atom catalysis in-situ X-ray absorption spectroscopy nitrate reduction to ammonia

Effects of Inclusion of Chrysin in Cucurbit[8]uril on Its Stability, Solubility and Antioxidant Potential

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Chemical research in Chinese Universities 2017年第5期33卷 736-741页

作者： XU Zhiling LIAN Xiaowei LI Mengjie ZHANG Xiaodong WANG Yi TAO Zhu ZHANG Qianjun research and development center of fine chemicals Guizhou University Guiyang 550025 P R. China Key Laboratory of Macrocyclic and Supramolecular Chemistry of Guizhou Province College of Chemistry and Chemical Engineering Guizhou University Guiyang 550025 P. R. China

The host-guest interaction between cucurbit[8]uril（Q[8]） and chrysin（CHR） has been studied by means of 1H NMR, mass spectrometry（MS）, differential thermal analysis（DTA）, and UV-Vis spectrophotometry. The results show that CHR forms a 1：1 inclusion complex with Q[8], with a binding constant of CHR with Q[8] by UV absorp- tion being 5.4 × 106. Phase solubility experiments show a 5.13-fold increase in the solubility of CHR through interac- tion with Q[8] {c（Q[8]）=10-4 real/L}. A study of the evolution of UV absorption spectra with time shows that Q[8] significantly increases the stability of CHR. The antioxidant activity of CHR-Q[8] has been tested by the ABTS me- thod. The CHR-Q[8] inclusion complex shows a better scavenging effect towards the ABTS radical than CHR, with respective IC50 values of 1.05 ×10-6 and 3.07× 10-6 mol/L. In vitro release studies have shown that CHR-Q[8] has a sustained release effcct.

关键词： Chrysin Cucurbituril hMusion complex Solubility Stability Antioxidant activity

Highly efficient FexNi1-xOy/CP electrode prepared via simple soaking and heating treatments for electrocatalytic water oxidation

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Journal of Energy Chemistry 2017年第3期26卷 428-432页

作者： Yan Gao Fengxia Wu Hu Chen State Key Laboratory of fine chemicals Institute of Artificial PhotosynthesisDUT-KTH Joint Education and Research Center on Molecular DevicesDalian University of Technology(DUT)Dalian 116024LiaoningChina

The oxygen evolution reaction（OER） is a key step in the overall water splitting process. Numerous electrocatalysts have been developed to lower the overpotential and accelerate the kinetics of the OER. In this work, a simple soaking and heating treatment was used to form a stable and efficient FeNiO/CP electrode. The electrode combined nickel and iron oxides on a commercial carbon paper were used for electrocatalytic water oxidation. The best FeNiO/CP electrode（Ni/Fe = 15/1） displayed a current density of 10 mA/cmat a low overpotential of 290 mV in 0.1 M KOH solution with a Tafel slope of 52 mV/dec.A higher current density of0 mA/cmat the same overpotential and a lower Tafel slope of 43 mV/dec was obtained for this electrode in 1.0 M KOH solution. Excellent durability of the FeNiO/CP electrode in 1.0 M KOH solution was confirmed under a high current density of 136 mA/cmat an overpotential of 340 mV.

关键词： Water splitting Ni–Fe electrode Oxygen evolution reaction Electrocatalysis

Novel cell parameter determination of a twisted-nematic liquid crystal display

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Chinese Physics B 2008年第3期17卷 950-953页

作者：黄霞荆海付国柱 Changchun Institute of Optics Fine Mechanics and PhysicsChinese Academy of Sciences North Liquid Crystal Engineering research and development center Graduate School of the Chinese Academy of Sciences

In this paper a novel method is proposed to determine the cell parameters including the twist angle, optic retardation and rubbing direction of twisted-nematic liquid crystal displays （TNLCD） by rotating the TNLCD. It is a single-wavelength method. Because using subtraction equation of transmittance as curve fitting equation, the influence of the light from environment and the absorption by polarizer, the sample of TNLCD and analyser on the transmittance is eliminated. Accurate results can also be obtained in imperfect darkness. By large numbers of experiments, we found that not only the experimental setup is quite simple and can be easily adopted to be carried out, but also the results are accurate.

关键词： liquid crystal display twist angle optical retardation rubbing direction

A Cyanine-based Liposomal Nanophotosensitizer for Enhanced Cancer Chemo-Photodynamic Therapy

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Chemical research in Chinese Universities 2021年第4期37卷 925-933页

作者： LI Mengqi MA He SHI Chao ZHANG Han LONG Saran SUN Wen DU Jianjun FAN Jiangli PENG Xiaojun State Key Laboratory of fine chemicals Dalian University of TechnologyDalian116024P.R.China State Key Laboratory of fine chemicals Shenzhen Research InstituteDalian University of TechnologyShenzhen518057P.R.China

Currently,chemotherapy is one of the most important treatment modalities for malignant tumors in the clinic,however,it exhibits some shortcomings,such as poor selectivity,limited efficacy and serious adverse ***,synergistic therapy and accurate drug delivery at tumor sites become a promising strategy for achieving tumor ***,a smart NIR fluorescence imaging-guided nanoliposome was fabricated by encapsulating a chemotherapeutic drug(doxorubicin,DOX),liposomes(L)and a near-infrared(NIR)photosensitizer(CY)to form L@CY@DOX,which could realize enhanced therapeutic efficacy of chemo-PDT in cancer therapy(PDT=photodynamic therapy).L@CY@DOX can induce mitochondrial apoptosis and produce severe toxicity at the cellular level,and L@CY@DOX can enrich in the tumor site,which significantly induces tumor *** vitro and in vivo studies demonstrated that L@CY@DOX exhibited great antitumor efficacy compared with each one of these monotherapies,indicating that the combination of chemotherapy and PDT possessed potential development prospects and is anticipated in clinical application.

关键词： Photodynamic therapy Liposome Photosensitizer Cyanine dye Doxorubicin Cancer

Polysulfide nanoparticles-reduced graphene oxide composite aerogel for efficient solar-driven water purification

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Green Energy & Environment 2023年第1期8卷 267-274页

作者： Fantao Meng Yuang Zhang Shufen Zhang Benzhi Ju Bingtao Tang State Key Laboratory of fine chemicals Dalian University of TechnologyDalian116023China

Along with the environmental pollution, the scarcity of clean water seriously threatens the sustainable development of human ***, the rapid development of solar evaporators has injected new vitality into the field of water purification. However, the industry faces a considerable challenge of achieving comprehensive purification of ions, especially the efficient removal of mercury ions. In this work, we introduce an ideal mercury-removal platform based on facilely and cost-effectively synthesized polysulfide nanoparticles(PSNs). Further development of PSN-functionalized reduced graphene oxide(PSN-rGO) aerogel evaporator results in achieving a high evaporation rate of 1.55 kg m^(-2)h^(-1)with energy efficiency of 90.8% under 1 sun. With the merits of interconnected porous structure and adsorption ability, the photothermal aerogel presents overall purification of heavy metal ions from wastewater. During solar desalination, salt ions can be rejected with long-term stability. Compared with traditional water purification technologies, this highly efficient solar evaporator provides a new practical method to utilize clean energy for clean water production.

关键词： Composite aerogel Solar vapor generation Photothermal conversion Water purification

RSscore:Reaction superiority learned from reaction mapping hypergraph

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Chinese Journal of Chemical Engineering 2024年第10期74卷 203-215页

作者： Chenyang Xu Lijuan Guo Kang Zhou Hai Yu Chaoliang Wei Fengqi Fan Lei Zhang State Key Laboratory of fine chemicals Frontiers Science Center for Smart Materials Oriented Chemical EngineeringInstitute of Chemical Process Systems EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China PetroChina Lanzhou Lubricating Oil research&development Institute Lanzhou 730060China

The selection of chemical reactions is directly related to the quality of synthesis pathways,so a reasonable reaction evaluation metric plays a crucial role in the design and planning of synthesis *** reaction conditions also need to be considered in synthesis pathway design,a reaction metric that combines reaction time,temperature,and yield is required for chemical reactions of different reaction *** this study,a chemical reaction graph descriptor which includes the atom-atom mapping relationship is proposed to effectively describe ***,through pre-training using graph contrastive learning and fine-tuning through supervised learning,we establish a model for generating the probability of reaction superiority(RSscore).Finally,to validate the effectiveness of the current evaluation index,RSscore is applied in two applications,namely reaction evaluation and synthesis routes analysis,which proves that the RSscore provides an important agents-considered evaluation criterion for computer-aided synthesis planning(CASP).

关键词： Computer-aided synthesis planning Neural networks Reaction evaluation indicator Reaction graph Graph contractive learning

Selective catalytic reduction of NO by C_2H_2 over Ce-Al_2O_3 catalyst with rate-determining step of NO oxidation

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Journal of Natural Gas Chemistry 2012年第3期21卷 332-338页

作者： Suhua Yan Xinping Wang Wenchen Wang Zequn Liu Jiahao Niu State Key Laboratory of fine chemicals Dalian University of TechnologyDalian 116024LiaoningChina

Ce-A12O3 catalysts prepared by co-precipitation are investigated both in NO oxidation by 02 and in selective catalytic reduction of NO by C2H2 （C2H2-SCR）. It is found that C2H2-SCR is initiated and controlled by NO oxidation to NO2 over A12O3. Ce loading on A12O3 is almost inactive for NO oxidation below 350℃, since NO2 strongly adsorbs on cerium oxide, leading to the active sites being blocked, which was characterized by temperature-programmed desorption of NO and NO2 and Fourier transform infrared spectroscopy after NO＋O2 coadsorption over the samples. However, in the case of C2H2-SCR, Ce loading on A1203 significantly improves the reaction by accelerating the NO oxidation step in the temperature range of 250-450℃, since the nitrate species produced by NO2 adsorption is an active intermediate required by C2H2-SCR.

关键词： NOx removal NO oxidation nitrate species Ce-A1203 acetylene