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DFT/TDDFT investigation on bis-cyclometalated alkynylgold(Ⅲ)complex: Comparison of absorption and emission properties

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Science China Chemistry 2013年第5期56卷 641-647页

作者： li leijiao BAI FuQuan ZHANG HongXing li HuiYing State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Jilin Institute of Chemical Technology College of Computer Science and Technology Jilin University

absorption and phosphorescent mechanism of three Au（III） complexes, Au（2,5-F2C6H3-C^CAC）（C = C-C6H4N（C6Hs）2 [Au25FPh], Au（3,5-F2C6Ha-CACAC）（C=C-C6H4N（C6Hs）2 [Au35FPh], and Au（3,5-F2C6H3-CAC^C）（C=C-C6H4N（1H- indole）2 [Au35FID], are calculated and compared using density functional theory （DFT） and time-dependent DFT （TDDFT）. The calculated results reveal that enlarging the center CACAC ligand will result in the enhanced LMCT participation. This theoretical contribution allows design of new Au（III） complexes with higher phosphorescence efficiency.

关键词： Gold(Ⅲ) absorption phosphorescence density functional calculations

Site-specific PEGylation of Human Growth Hormone by Mutated Sortase A

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Chemical Research in Chinese Universities 2018年第3期34卷 428-433页

作者： SHI Hui SHI Qingyang James T. OSWALD GAO Ying li leijiao li Yunhui School of Chemistry & Environmental Engineering Changchun University of Science & Technology Changchun 130022 P R. China Key Laboratory of Regenerative Biology of the Chinese Academy of Sciences Guangdong Provincial Key Laboratory of Stem Cells and Regenerative Medicine Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences Guangzhou 510530 P. R. China University of Chinese Academy of Sciences Beijing P. R. China 100049 Centre for Reproductive Medicine Centre for Prenatal Diagnosis the First Hospital of Jilin Universi(y. Changchun 130021 P. R. China School of Nanoteehnology & Chemical Engineering University of Waterloo Waterloo ON Canada

Human growth hormone（hGH）, a classic therapeutic protein, which promotes growth and wound healing, is released from the pituitary gland. As a protein drug, its short half-life is its main barrier to therapeutic efficacy. Various strategies have been designed to prolong its serum half-life, the most conunon of which is the conjugation with polyethylene glycol（PEG）, as this has been shown to significantly extend protein＇s serum half-life. However, PEGylation often results in random conjugation, which can lead to impaired protein function and hinder purification, characterization and evaluation of the PEGylated protein. Therefore, site specific PEGylation is a promising direction for PEG-protein conjugation. Here we took advantages of the mutated sortase A（7M） enzyme, which can enzymati- cally ligate the universal a-amino acids to a C-terminal tagged protein. This then allows specific modification of the C-terminal of hGH with PEG. This site-specific bound PEG-hGH has similar efficacy, receptor binding and cell proliferation as wild-type hGH; however, pharmacokinetic analysis demonstrates that its serum half-life is almost 24 times that of wild-type hGH. Herein, we provided a promising advancement in the development of site specific PEGylated therapeutic proteins.

关键词： Human growth hormone PEGylation Site specific modification

Ultrathin tellurium nanosheets for simultaneous cancer thermo-chemotherapy

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Bioactive Materials 2022年第7期7卷 96-104页

作者： Wen Pan Chuang liu Yunhui li Yang Yang Wenliang li Chan Feng leijiao li School of Chemistry and Environmental Engineering Changchun University of Science and TechnologyChangchun130022China Department of Respiratory Medicine Sir Run Run Shaw HospitalZhejiang University School of MedicineHangzhouZhejiang310016China Jilin Collaborative Innovation Center for Antibody Engineering Jilin Medical UniversityJilin132013China Center for Nanomedicine and Department of Anesthesiology Brigham and Women’s HospitalHarvard Medical SchoolBostonMA02115United States

The emerging two-dimensional monoelemental materials(2D Xenes)have been commonly supposed as promising drug delivery carriers,photothermal and photodynamic therapeutic agents,biosensors,theranostics,and some other candidates for biomedical ***,high-performance and bioactive ultrathin 2D Tellurium nanosheets(Te NSs)are prepared by a simple but efficient liquid-phase exfoliation *** as-obtained Te NSs possess a mean size of~90 nm and a mean thickness of~5.43 *** pegylation Te NSs(Te-PEG NSs)possess excellent biocompatibility and *** Te-PEG NSs could generate local hyperthermia with a remarkable photothermal conversion efficiency of about 55%under 808 nm laser ***,Te-PEG NSs exhibit an extremely high loading capacity of chemo drug(~162%)owing to their ultra-high surface area and tumor microenvironment-triggered drug release *** results of in vivo experiments show that the Te-PEG NSs have higher tumor elimination efficiency via the combination of photothermal and chemotherapy,comparing to any other single therapeutic ***,our work not only highlights the promising potentials of tellurene as an ideal anti-cancer platform but also expands the application of 2D Te for cancer nanomedicine.

关键词： Two-dimensional materials Tellurium Photothermal therapy Chemotherapy Synergetic therapy

Multifunctional core/satellite polydopamine@Nd^3＋- sensitized upconversion nanocomposite： A single 808 nm near-infrared light-triggered theranostic platform for in vivo imaging-guided photothermal therapy

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Nano Research 2017年第10期10卷 3434-3446页

作者： Xing Ding Jianhua liu Dapeng liu Junqi li Fan Wang leijiao li Yinghui Wang Shuyan Song Hongjie Zhang State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied Chemistry (CIAC) Chinese Academy of Sciences (CAS) Changchun 130022 China State Key Laboratory of Inorganic Synthesis and Preparative Chemistry College of Chemistry Jilin University Changchun 130012 China Department of Radiology the Second Hospital of Jilin University Changchun 130041 China

Significant attenuation and overheating, caused by the absorption of the excitation band （980 nm） in water, are the major obstacles in the in vivo application of lanthanide-doped upconversion nanoparticles （UCNPs）. Therefore, appropriately- structured Nd3^＋-doped UCNPs with 808 nm excitation could be a promising alternative. Herein, we developed core-shell-shell structured Nd3^＋-sensitized UCNPs as imaging agents, and decorated them onto the surface of polydopamine （PDA） to construct a novel multifunctional core/satellite nanotheranostic （PDA@UCNPs） for in vivo imaging guidance photothermal therapy using single 808 nm laser irradiation. The core-shell-shell structured design enabled outstanding upconversion luminescence properties and strong X-ray attenuation, thereby making the nanocomposites potential candidates for excellent upconversion luminescence/computed tomography dual modal imaging. In addition, the PDA core not only provides high photothermal conversion efficiency and outstanding antitumor effect, but also endows the platform with robust biocompatibility owing to its natural features. Therefore, this multifunctional nanocomposite could be a promising theranostic in future oncotherapy, with high therapeutic effectiveness but low side effects. This study would stimulate interest in designing bio- application-compatible multifunctional nanocomposites, especially for cancer diagnosis and treatment in vivo.

关键词： Nd^3+-sensitized upconversion nanopartides dual-modality imaging photothermal therapy multifunctional theranostic platform biocompatibility

Cryogenic Exfoliation of 2D Stanene Nanosheets for Cancer Theranostics

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Nano-Micro Letters 2021年第6期13卷 108-125页

作者： Jiang Ouyang ling Zhang leijiao li Wei Chen Zhongmin Tang Xiaoyuan Ji Chan Feng Na Tao Na Kong Tianfeng Chen You-Nian liu Wei Tao The First Affiliated Hospital Department of ChemistryJinan UniversityGuangzhou 510632GuangdongPeople’s Republic of China Center for Nanomedicine and Department of Anesthesiology Brigham and Women’s HospitalHarvard Medical SchoolBostonMA 02115USA College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083HunanPeople’s Republic of China School of Chemistry and Environmental Engineering Changchun University of Science and TechnologyChangchun 130022Jilin ProvincePeople’s Republic of China

Stanene(Sn)-based materials have been extensively applied in industrial production and daily life,but their potential biomedical application remains largely unexplored,which is due to the absence of the appropriate and effective methods for fabricating Sn-based ***,we explored a new approach combining cryogenic exfoliation and liquid-phase exfoliation to successfully manufacture two-dimensional(2D)Sn nanosheets(SnNSs).The obtained SnNSs exhibited a typical sheet-like structure with an average size of~100 nm and a thickness of~5.1 *** PEGylation,the resulting PEGylated SnNSs(SnNSs@PEG)exhibited good stability,superior biocompatibility,and excellent photothermal performance,which could serve as robust photothermal agents for multi-modal imaging(fluorescence/photoacoustic/photothermal imaging)-guided photothermal elimination of ***,we also used first-principles density functional theory calculations to investigate the photothermal mechanism of SnNSs,revealing that the free electrons in upper and lower layers of SnNSs contribute to the conversion of the photo to *** work not only introduces a new approach to fabricate 2D SnNSs but also establishes the SnNSs-based nanomedicines for photonic cancer *** new type of SnNSs with great potential in the field of nanomedicines may spur a wave of developing Sn-based biological materials to benefit biomedical applications.

关键词： Stanene Two-dimensional Cryogenic exfoliation Cancer theranostics Nanomedicine

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聚乙二醇修饰重组人生长激素的研究

吉林省教育学院学报 2017年第12期33卷 172-174页

作者：马妍春杨秀云李磊姣李云辉高莹吉林省教育学院吉林长春130022 长春理工大学化学与环境工程学院吉林长春130022

化学修饰是蛋白质药物的一种有效修饰方法。使用聚乙二醇(PEG)修饰人生长激素(rh GH),是提高rh GH半衰期的重要手段之一。本文重点综述PEG修饰rh GH的方法及其研究进展。

关键词：重组人生长激素聚乙二醇化学修饰

Multivariate Two-stage Adaptive-stacking Prediction of Regional Integrated Energy System

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Journal of Modern Power Systems and Clean Energy 2023年第5期11卷 1462-1479页

作者： leijiao Ge Yuanliang li Jan Yan Yuanliang li Jiaan Zhang Xiaohui li IEEE School of Electrical and Information Engineering Tianjin UniversityTianjin 300072China Concordia Institute for Information Systems Engineering Concordia UniversityMontrealQC H3G 1M8Canada School of Electrical and Engineering Hebei University of TechnologyTianjin 300401China Marketing Service Center State Grid Tianjin Electric Power CompanyTianjin 300302China

To reduce environmental pollution and improve the efficiency of cascaded energy utilization, regional integrated energy system(RIES) has received extensive attention. An accurate multi-energy load prediction is significant for RIES as it enables stakeholders to make effective decisions for carbon peaking and carbon neutrality goals. To this end, this paper proposes a multivariate two-stage adaptive-stacking prediction(M2ASP) framework. First, a preprocessing module based on ensemble learning is proposed. The input data are preprocessed to provide a reliable database for M2ASP, and highly correlated input variables of multi-energy load prediction are determined. Then, the load prediction results of four predictors are adaptively combined in the first stage of M2ASP to enhance generalization ability. Predictor hyper-parameters and intermediate data sets of M2ASP are trained with a metaheuristic method named collaborative atomic chaotic search(CACS) to achieve the adaptive staking of M2ASP. Finally, a prediction correction of the peak load consumption period is conducted in the second stage of M2ASP. The case studies indicate that the proposed framework has higher prediction accuracy, generalization ability, and stability than other benchmark prediction models.

关键词： Collaborative atomic chaotic search(CACS) multivariate two-stage adaptive-stacking prediction(M2ASP)framework prediction error correction regional integrated energy system(RIES)

Short-term Load Prediction of Integrated Energy System with Wavelet Neural Network Model Based on Improved Particle Swarm Optimization and Chaos Optimization Algorithm

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Journal of Modern Power Systems and Clean Energy 2021年第6期9卷 1490-1499页

作者： leijiao Ge Yuanliang li Jun Yan Yuqian Wang Na Zhang IEEE School of Electrical and Information Engineering Tianjin University Concordia Institute for Information Systems Engineering Concordia University Sany Heavy Machinery Co. Ltd. Department of Electrical Engineering Inner Mongolia University of Technology

To improve energy efficiency and protect the environment,the integrated energy system(IES)becomes a significant direction of energy structure *** paper innovatively proposes a wavelet neural network(WNN)model optimized by the improved particle swarm optimization(IPSO)and chaos optimization algorithm(COA)for short-term load prediction of *** proposed model overcomes the disadvantages of the slow convergence and the tendency to fall into the local optimum in traditional WNN ***,the Pearson correlation coefficient is employed to select the key influencing factors of load ***,the traditional particle swarm optimization(PSO)is improved by the dynamic particle inertia *** jump out of the local optimum,the COA is employed to search for individual optimal particles in *** the iteration,the parameters of WNN are continually optimized by ***,the feedback link is added to the proposed model,where the output error is adopted to modify the prediction ***,the proposed model is employed for load *** experimental simulation verifies that the proposed model significantly improves the prediction accuracy and operation efficiency compared with the artificial neural network(ANN),WNN,and PSO-WNN.

关键词： Integrated energy system(IES) load prediction chaos optimization algorithm(COA) improved particle swarm optimization(IPSO) Pearson correlation coefficient wavelet neural network(WNN)

A Unified Control of Super-capacitor System Based on Bi-directional DC-DC Converter for Power Smoothing in DC Microgrid

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Journal of Modern Power Systems and Clean Energy 2023年第3期11卷 938-949页

作者： Xialin li Pengfei li leijiao Ge Xunyang Wang Zhiwang li lin Zhu li Guo Chengshan Wang Key Laboratory of Smart Grid of Ministry of Education Tianjin UniversityTianjin 300072China School of Information and Electronic Engineering Hebei University of EngineeringHandan 056038China Binhai Power Supply Bureau of State Grid Tianjin Electric Power Company Tianjin 300480China

To improve the equivalent inertia of DC microgrids(DCMGs),a unified control is proposed for the first time for a bi-directional DC-DC converter based super-capacitor(SC)system,whereby power smoothing and SC terminal voltage regulation can be achieved in a DCMG *** proposed control displays good plug-and-play features using only local *** quantitative analysis and effective design of the critical parameter of unified control,two indices,equivalent power supporting time and inertia contributed by the unified controlled SC system,are introduced ***,with a simple but effective reduced-order model of a DCMG,analytical solutions are obtained for the two *** addition,a systematic design method is presented for the proposed unified ***,to verify the proposed unified control,a switching model is developed for a typical DCMG in PSCAD/EMTDC,and theoretical analyses are conducted for different operating conditions.

关键词： DC microgrid DC-DC converter super-capacitor unified control equivalent power supporting time and inertia power smoothing