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Exploration and elaboration of photo-induced proton transfer dynamical mechanism for novel 2-[1,3]dithian-2-yl-6-(7aH-indol-2-yl)-phenol sensor

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Chinese Physics B 2020年第5期29卷 208-213页

作者： Lei Xu Tian-Jie Zhang Qiao-Li Zhang da-peng yang School of Physics and Electronics North China University of Water Resources and Electronic PowerZhengzhou 450046China Collaborative Innovation Center of Light Manipulations and Applications Shandong Normal UniversityJinan 250358China

In this work, we theoretically probe into the photo-induced hydrogen bonding effects between S0 state and S1 state as well as the excited state intramolecular proton transfer(ESIPT) behavior for a novel 2-[1,3]dithian-2-yl-6-(7aH-indol-2-yl)-phenol(DIP) probe system. We first study the ground-state hydrogen bonding O–H··· N behavior for DIP. Then we analyze the primary geometrical parameters(i.e., bond length, bond angle, and infrared(IR) stretching vibrational mode)involved in hydrogen bond, and confirm that the O–H··· N of DIP should be strengthened in the first excited state. It is the significant prerequisite for ESIPT reaction. Combining the frontier molecular orbitals(MOs) with vertical excitation analyses, the intramolecular charge transfer(ICT) phenomenon can be found for the DIP system, which reveals that the charge redistribution facilitates ESIPT behavior. By constructing potential energy curves for DIP along the ESIPT reactional orientation, we obtain quite a small energy barrier(3.33 kcal/mol) and affirmed that the DIP molecule undergoes ultrafast ESIPT process once it is excited to the S1 state and quickly transfers its proton, forming DIP-keto tautomer. That is why no fluorescence of DIP can be observed in experiment, which further reveals the ultrafast ESIPT mechanism proposed in this work.

关键词： intramolecular charge transfer ESIPT molecular electrostatic potential potential energy curves

Conversion of Au(Ⅲ)-polluted waste eggshell into functional CaO/Au nanocatalyst for biodiesel production

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Green Energy & Environment 2022年第2期7卷 352-359页

作者： Jiadi Liu Minghuan Liu Shaoyun Chen Bingqing Wang Jin Chen da-peng yang Shangzhou Zhang Wenxiao Du College of Life Science Yantai UniversityYantaiShandong Province264005China School of Nuclear Equipment and Nuclear Engineering Yantai UniversityYantaiShandong Province264005China College of Chemical Engineering and Materials Science Quanzhou Normal UniversityQuanzhouFujian Province362000China Clinical Center for Molecular Diagnosis and Therapy The Second Affiliated Hospital of Fujian Medical UniversityQuanzhouShandong Province362000China

Developing an environmental-friendly and highly active catalyst in transesterification for biodiesel production is of great importance for a more economic biodisel ***,we reported that waste eggshells were used to adsorb Au(Ⅲ) in water and convert the Au(Ⅲ)-polluted eggshells into the functional nanocatalyst-Ca O/Au for the transesterification reaction between soybean oil and methanol to the preparation of *** coupling of Ca O and Au nanoparticles,Ca O/Au nanoparticles showed superior catalytic activity for the transesterification reaction between soybean oil and *** optimum performance was observed over Ca O/Au nanocomposites in a methanol-oil molar ratio at 12:1with catalyst content of 1.0 wt% at 70°C for 3 ***,the catalytic activity of Ca O/Au nanocatalyst was almost unchanged after recycling for 5 times and the yield of biodiesel still kept at 88.9%.The proof-of concept study provided us a sustainable method for utilization of waste eggshells to remedy the metal ions-polluted wastewater and the synthesis of functional nanocomposite for biodiesel production,show great potential application of waste eggshell in adsorption and catalytic reactions.

关键词： process Au(Ⅲ) catalyst

Ab initio investigation of excited state dual hydrogen bonding interactions and proton transfer mechanism for novel oxazoline compound

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Chinese Physics B 2019年第10期28卷 309-314页

作者： Yu-Sheng Wang Min Jia Qiao-Li Zhang Xiao-Yan Song da-peng yang College of Physics and Electronics North China University of Water Resources and Electric PowerZhengzhou 450046China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China

Owing to the importance of excited state dynamical relaxation, the excited state intramolecular proton transfer(ESIPT) mechanism for a novel compound containing dual hydrogen bond(abbreviated as "1-enol") is studied in this *** density functional theory(DFT) and time-dependent density functional theory(TDDFT) method, the experimental electronic spectra can be reproduced for 1-enol compound. We first verify the formation of dual intramolecular hydrogen bonds, and then confirm that the dual hydrogen bond should be strengthened in the first excited state. The photo-excitation process is analyzed by using frontier molecular orbital(HOMO and LUMO) for 1-enol compound. The obvious intramolecular charge transfer(ICT) provides the driving force to effectively facilitate the ESIPT process in the S1 state. Exploration of the constructed S0-state and S1-state potential energy surface(PES) reveals that only the excited state intramolecular single proton transfer occurs for 1-enol system, which makes up for the deficiencies in previous experiment.

关键词： excited state intramolecular proton transfer potential energy surface intramolecular charge transfer infrared vibrational spectra

An anthropomorphic controlled hand prosthesis system

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Journal of Zhejiang University-Science C(Computers and Electronics) 2012年第10期13卷 769-780页

作者： Hai HUANG Hong LIU Nan LI Li JIANG da-peng yang Lei WAN Yong-jie PANG Gerd HIRZINGER National Key Laboratory of Science and Technology on Autonomous Underwater Vehicle Harbin Engineering University Harbin 150001 China State Key Laboratory of Robot and Systems Harbin Institute of Technology Harbin 150001 Chin Institute of Robotics and Mechatronics German Aerospace Center DLR Wessling 82230 Germany

Based on HIT/DLR(Harbin Institute of Technology/Deutsches Zentrum für Luft-und Raumfahrt) Prosthetic Hand II,an anthropomorphic controller is developed to help the amputees use and perceive the prosthetic hands more like people with normal physiological *** core of the anthropomorphic controller is a hierarchical control *** is composed of a top controller and a low level *** top controller has been designed both to interpret the amputee's intensions through electromyography(EMG) signals recognition and to provide the subject-prosthesis interface control with electro-cutaneous sensory feedback(ESF),while the low level controller is responsible for grasp *** control strategies include the EMG control strategy,EMG and ESF closed loop control strategy,and voice control *** EMG signal recognition,10 types of hand postures are recognized based on support vector machine(SVM).An anthropomorphic closed loop system is constructed to include the customer,sensory feedback system,EMG control system,and the prosthetic hand,so as to help the amputee perform a more successful EMG *** results suggest that the anthropomorphic controller can be used for multi-posture recognition,and that grasp with ESF is a cognitive dual process with visual and sensory *** process while outperforming the visual feedback process provides the concept of grasp force magnitude during manipulation of objects.

关键词： Anthropomorphic controller Prosthetic hand EMG recognition Electro-cutaneous sensory feedback

Carbon dots enhanced gelatin/chitosan bio-nanocomposite packaging film for perishable foods

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Chinese Chemical Letters 2022年第10期33卷 4577-4582页

作者： Bofei Fu Qiaoling Liu Minghuan Liu Xiaofang Chen Hetong Lin Zongping Zheng Junqiu Zhu Congjie dai Xiaochen Dong da-peng yang Key Laboratory of Chemical Materials and Green Nanotechnology College of Chemical Engineering and Materials ScienceQuanzhou Normal UniversityQuanzhou 362000China Department of Clinical Laboratory The Second Affiliated Hospital of Fujian Medical UniversityQuanzhou 362000China Fujian Province Key Laboratory for Preparation and Function Development of Active Substances from Marine Algae College of Oceanology and Food ScienceQuanzhou Normal UniversityQuanzhou 362000China College of Food Science Fujian Agriculture and Forestry UniversityFuzhou 350002China School of Physical and Mathematical Sciences Nanjing Tech UniversityNanjing 211800China

Carbon dots(CDs)with intriguing fluorescent property,good biocompatibility,high stability,easy interaction with substrates,are burgeoning carbon nanoparticles with large potential in various *** CDs into the polymer matrix is becoming a popular strategy to endow the complex with new ***,the green-synthesized CDs was integrated into the mixture of gelatin(derived from waste fish scale)and chitosan,and a multifunctional bio-nanocomposite(defined as Gelatin/Chitosan/CDs)film was developed,which showed the excellent antibacterial,antioxidant,pH-sensitivity,UV shielding,and blue-emission *** effects of different concentrations of CDs on the physical,mechanical,structural,and functional activity of bio-nanocomposite film were *** with the Gelatin/Chitosan film,the Gelatin/Chitosan/CDs film with an optimum addition of 20%CDs showed the enhanced antibacterial,antioxidant as well as UV shielding *** importantly,it was used as an effective packaging material for fish meat preservation,reducing the loss of nutritional quality consumption,extending the shelf life of ***,the bio-nanocomposite films also possessed the anti-counterfeiting and pH-responsive properties due to the strong fluorescent emission of CDs,and had the great potential in developing the intelligent packaging *** work shed new light on the new application of CDs and the synthesis of bio-nanocomposite film in food industry.

关键词： Carbon dots Bio-nanocomposite Gelatin UV shielding Intelligent packaging

Flow stress equation for multipass hot-rolling of aluminum alloys

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Journal of Central South University of Technology 2001年第1期8卷 13-17页

作者： ZHANG Hui,peng da shu,yang Li bin,MENG Li ping (Department of Materials Science and Engineering, Central South University, Changsha 410083, China) Department of Materials Science and Engineering Central South University Changsha China

A series of simple axisymmetric compression tests were carried out on the computer servo controlled Gleeble 1 500 machine when strain rates ranged between 0.05 25 s -1 and deformation temperature 300 500 ℃. The results show that flow stress is related to the Zener Hollonom parameter Z and strain, as well as the static recrystallization fraction between passes during multipass hot deformation of 5182 aluminum alloy. Hence, a modified exponential flow stress equation was presented by considering the values of ln A and β as functions of strain, and by using the uniform softening method and incorporating the static recrystallization fraction between passes to consider the effects of residual strain during multipass hot rolling of 5182 aluminum alloy. The validity of the equation was examined by a typical non isothermal multipass deformation test.

关键词： aluminum alloy multipass hot rolling flow stress equation

Chlorogenic acid supported strontium polyphenol networks ensemble microneedle patch to promote diabetic wound healing

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Chinese Chemical Letters 2024年第8期35卷 491-497页

作者： Peizhe Li Qiaoling Liu Mengyu Pei Yuci Gan Yan Gong Chuchen Gong Pei Wang Mingsong Wang Xiansong Wang da-peng yang Bo Liang Guangyu Ji Research Institute of Plastic Surgery Weifang Medical UniversityWeifang 261000China The Second Affiliated Hospital of Fujian Medical University Quanzhou 362000China Department of Thoracic surgery Shanghai Key Laboratory of Tissue EngineeringShanghai Ninth People’s HospitalShanghai Jiao Tong University School of MedicineShanghai 200011China The Third Affiliated Hospital of Xinxiang Medical University Institutes of Health Central PlainClinical Medical Center of Tissue Engineering and RegenerationXinxiang Medical UniversityXinxiang 453003China School of Rehabilitation Science and Engineering University of Health and Rehabilitation SciencesQingdao 266024China

Delayed or non-healing of diabetic wounds is a significant complication,often attributed to high glucose-induced M1 macrophage accumulation,impaired angiogenesis,and reactive oxygen species(ROS)*** this,we introduced a strontium polyphenol network microneedle patch(SrC-MPNs@MN-PP)for percutaneous drug *** patch,formulated with polymer poly(γ-glutamic acid)(γ-PGA)and epsilon-poly-l-lysine(ε-PLL),incorporates strontium polyphenol networks(SrC-MPNs).The release of chlorogenic acid(CGA)from SrC-MPNs not only neutralizes ROS,but strontium ions also foster ***,SrC-MPNs@MN-PP can ameliorate the diabetic wound microenvironment and expedite healing.

关键词： Chlorogenic acid Strontium Microneedle patch Strontium polyphenol network Exudate absorption Diabetic wound healing

Modulation of the spectral properties of 4-aminophthalimide clusters formed with water molecules by hydrogen bonds of different types and numbers

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Modulation of the spectral properties of 4-aminophthalimide ...

Cocktail effect of ionic patch driven by triboelectric nanogenerator for diabetic wound healing

第十三届全国化学动力学会议

作者： da-peng yang State Key Laboratory of Molecular Reaction Dynamics dalian Institute of Chemical Physics Chinese Academy of Sciences

TD-DFT （IEFPCM-B3LYP/6-311++G（d, p）） calculations have been performed to investigate the relationship between the absorption and fluorescence spectra of 4-aminophthalimide （4AP） and the formation of different types and numbers of hydrogen bonds in water solution, especially to study the effects of hydrogen bond formation and weakening upon photoexcitation on the red- and blue-shifts of the spectral peaks. Based on the comparisons between the experimental and the calculated absorption and fluorescence spectra, it is concluded that in ground state S0 one 4AP molecule should be hydrogen-bonded with three water molecules through hydrogen bonds Ⅰ, Ⅱ,Ⅲ and Ⅳ, whereas in the first singlet excited state S1 , four additional water molecules are hydrogen-bonded to the 4AP molecule to formed the hydrogen-bonded 4AP-（H2O）7 cluster through hydrogen bonds Ⅴ,Ⅵ,Ⅶ and Ⅷ. From S0 to S1 , the weakening of hydrogen bond Ⅰ and the strengthening of hydrogen bonds Ⅱ and IV as well as the formation of hydrogen bonds Ⅴ,Ⅵ,Ⅶ and Ⅷ should be responsible for the significant red-shifts of the fluorescence spectra of 4AP in water solution. The dynamic simulation of the weakening and strengthening of hydrogen bonds of different types will be carried out.

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Chinese Chemical Letters 2024年第8期35卷 460-465页

作者： Yixia Zhang Caili Xue Yunpeng Zhang Qi Zhang Kai Zhang Yulin Liu Zhaohui Shan Wu Qiu Gang Chen Na Li Hulin Zhang Jiang Zhao da-peng yang College of Biomedical Engineering Taiyuan University of TechnologyTaiyuan 030024China College of Electronic Information and Optical Engineering Taiyuan University of TechnologyTaiyuan 030024China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030024China College of Integrated Circuit Science and Engineering Nanjing University of Posts and TelecommunicationsNanjing 210023China School of Rehabilitation Science and Engineering University of Health and Rehabilitation SciencesQingdao 266024China School of Materials and Chemical Engineering Quanzhou Normal UniversityQuanzhou 362000China

There is increasing evidence shows that either electrical stimulation(ES)or metal ion is an effective way to accelerate ulcerative wound ***,less attention is paid to investigating the synergistic effect between ***,we explore the combined effects of ES and multiple metal ions on dia-betic wound healing assisted by a triboelectric nanogenerator(TENG).Firstly,the novel Eggshell@CuFe_(2)O_(4)nanocomposites(NCs)are prepared,which show unique structure and intrinsic antimicrobial ***,the as-prepared nanocomposites are embedded in oxidized starch hydrogel to form a mul-tifunctional composite gel,which is further assembled into a wearable ionic triboelectric nanogenerator(iTENG)patch with polydimethylsiloxane(PDMS).It can convert the mechanical energy produced by a human body motion to electric energy and mediate the sequential release of metal ions(Fe^(2+)/Ca^(2+)/Cu^(2+)),thereby resulting in the“cocktail effect”on impaired *** their effects,a satisfying healing re-sult in diabetic mouse is identified,which can effectively accelerate wound healing process by relieving inflammation,promoting angiogenesis and collagen *** work puts forward the cocktail effect of electric simulation coupled with the multiple metal ions,and opens up a new perspective in designing iTENG patch towards repair of hard-to-heal wounds.

关键词： iTENG Cocktail effect CuFe_(2)O_(4) Eggshell Diabetic wound