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Intermolecular hydrogen-bonding as a robust tool toward significantly improving the photothermal conversion efficiency of a NIR-II squaraine dye

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Chinese Chemical Letters 2024年第4期35卷 310-315页

作者： Songtao Cai liuying Wu Yuan Li Soham Samanta Jinying Wang Bing liu Feihu Wu Kaitao Lai yingchao liu Junle Qu Zhigang Yang Center for Biomedical Photonics&Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province College of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhen 518060China

The photothermal therapy(PTT) has come across as a promising noninvasive therapeutic strategy for tumor treatment. However, low photothermal conversion efficiency(PCE) and hydrophobicity may impede the therapeutic efficacy of organic photothermal agents and an efficient PTT-agent must overcome these two major challenges. In this work, we developed a new strategy to promote higher PCE wherein the intermolecular hydrogen-bonding interaction between the single dye molecule and water facilitated the transformation of the absorbed energy into the heat. A hydrophilic squaraine dye(SCy1) with the second near-infrared region(NIR-II) absorption and extremely low emission were designed to exhibit much higher PCE than that of the analogues of pentamethine-dyes(PCy1, PCy2). The presence of the ‘–O-' at middle of squaric cycle enabled the intermolecular H-bonding formation between the SCy1 and water to promote the energy dissipation channel. Moreover, the introduction of long-chain phenylsulfonate groups helped in to improve the water solubility apart from serving as an additional means of further enhancing PCE through fluorescence quenching. Therefore, SCy1 with a squaraine backbone and long-chain sulfonate moieties revealed outstanding photothermal stability and anti-aggregation activity apart from showing exceptionally high PCE(74%) in water. SCy1 demonstrated excellent therapeutic efficacy when applied in the PTT treatment of tumor-bearing mice under a laser irradiation of 915 nm.

关键词： Squaraine-based cyanine Hydrogen bonds High PCE Anti-aggregation Photothermal therapy

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A multi-parameter-induced activation of gas therapeutic platform to remarkably amplify photodynamic therapy efficacy

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Science China Chemistry 2024年第7期67卷 2403-2411页

作者： Jie Sun Ziwen Zhang Hongyu Wu Xuemei Dong Chengjun Dong Lixin Sun Zhiqian Guo yingchao liu Xianfeng Gu Chunchang Zhao Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center Institute of Fine ChemicalsSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China Department of Medicinal Chemistry School of PharmacyFudan UniversityShanghai 201203China Shandong Provincial Hospital Affiliated to Shandong First Medical University Shandong First Medical University&Shandong Academy of Medical ScienceJinan 250021China

Gas therapy(GT)combined with photodynamic therapy(PDT)is an effective strategy to compensate for the PDT limitation caused by the hypoxic tumor microenvironment,which can greatly improve PDT efficacy.The uncontrolled leakage of gas molecules during delivery seriously hinders its practical biological application.Herein,we report a multifunction nanomedicine that enables precise gas therapy(including carbon monoxide(CO)release and H_(2)S depletion)using a multi-parameter-induced activation gas release strategy,enlarging the PDT efficacy.This nanomedicine uses a disulfide bond to covalently link a photosensitizer with the CO donor 3-hydroxyflavone(3-HF).The disulfide bond can be specifically consumed in H_(2)S-rich tumor areas,releasing the CO donor(3-HF),and also depleting H_(2)S.More importantly,the photo-controlled production of^(1)O_(2)can induce 3-HF precise release of CO in the tumor location.Such H_(2)S,light,and^(1)O_(2)multi-parameter-induced activation of gas release strategy ensures the accuracy of GT to amplify PDT efficiency.As expected,in vitro and in vivo investigations show that GT makes up for the PDT limitation,exhibiting the highest tumor therapeutic effect.This multi-parameter-activated design strategy provides a new way to improve the precision and efficacy of multimodal synergistic therapy of tumors.

关键词： gas therapy precision gas release hydrogen sulfide depletion photodynamic therapy multimodal synergistic therapy

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Current situation and prospect for the diagnosis and treatment of pediatric critical rare diseases in China

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儿科学研究(英文) 2024年第1期8卷 66-71页

作者： liu yingchao Qian Suyun Pediatric Intensive Care Unit Beijing Children’s Hospital Capital Medical University National Center for Children’s Health Beijing China

The onset of critical rare diseases (RDs) in children is rapid and dangerous, accompanied by a high mortality rate, which brings a heavy burden to both families and society. Multiple malformations, neuromuscular diseases, metabolic diseases, and heart diseases are the most common types of RDs in children of China, often manifesting with multiple organ dysfunction. At present, the diagnosis and treatment of critical RDs in children face challenges such as prolonged diagnosis time, a high misdiagnosis rate, limited treatment modalities, and a significant disease burden. However, with the progress in genetic testing technology, the establishment of multidisciplinary diagnosis and treatment platforms, and the implementation of relevant RD policies in China, children with critical RDs will received enhanced medical services, experience improved prognoses, and reintegrate into social life.

关键词： Children Critical Current situation Prospect Rare diseases

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GNN Representation Learning and Multi-Objective Variable Neighborhood Search Algorithm for Wind Farm Layout Optimization

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Energy Engineering 2024年第4期121卷 1049-1065页

作者： yingchao Li JianbinWang HaibinWang China Electric Power Research Institute State Grid Inner Mongolia Eastern Electric Power Co.Ltd.Hohhot010010China School of Software Nanjing University of Information Science and TechnologyNanjing210044China

With the increasing demand for electrical services,wind farm layout optimization has been one of the biggest challenges that we have to deal with.Despite the promising performance of the heuristic algorithm on the route network design problem,the expressive capability and search performance of the algorithm on multi-objective problems remain unexplored.In this paper,the wind farm layout optimization problem is defined.Then,a multi-objective algorithm based on Graph Neural Network(GNN)and Variable Neighborhood Search(VNS)algorithm is proposed.GNN provides the basis representations for the following search algorithm so that the expressiveness and search accuracy of the algorithm can be improved.The multi-objective VNS algorithm is put forward by combining it with the multi-objective optimization algorithm to solve the problem with multiple objectives.The proposed algorithm is applied to the 18-node simulation example to evaluate the feasibility and practicality of the developed optimization strategy.The experiment on the simulation example shows that the proposed algorithm yields a reduction of 6.1% in Point of Common Coupling(PCC)over the current state-of-the-art algorithm,which means that the proposed algorithm designs a layout that improves the quality of the power supply by 6.1%at the same cost.The ablation experiments show that the proposed algorithm improves the power quality by more than 8.6% and 7.8% compared to both the original VNS algorithm and the multi-objective VNS algorithm.

关键词： GNN representation learning variable neighborhood search multi-objective optimization wind farm layout point of common coupling

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LncRNA NKILA inhibits HBV replication by repressing NF-κB signalling activation

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Virologica Sinica 2024年第1期39卷 44-55页

作者： Xi Zhang Yuanyuan Li Chen Huan Yubao Hou Rujia liu Hongyun Shi Peng Zhang Baisong Zheng yingchao Wang Hong Wang Wenyan Zhang Institute of Virology and AIDS Research The First Hospital of Jilin UniversityChangchun130012China Department of Ophthalmology The First Hospital of Jilin UniversityChangchun130012China Hepatobiliary Pancreatic Surgery The First Hospital of Jilin UniversityChangchun130012China

Hepatitis B virus(HBV)infection results in liver cirrhosis and hepatocellular carcinoma(HCC).HBx/nuclear factor(NF)-κB pathway plays a role in HBV replication.However,whether NF-κB-interacting long noncoding RNA(NKILA),a suppressor of NF-κB activation,regulates HBV replication remains largely unknown.In this study,gain-and-loss experiments showed that NKILA inhibited HBV replication by inhibiting NF-κB activity.In turn,HBV infection down-regulated NKILA expression.In addition,expression levels of NKILA were lower in the peripheral blood-derived monocytes(PBMCs)of HBV-positive patients than in healthy individuals,which were correlated with HBV viral loads.And a negative correlation between NKILA expression level and HBV viral loads was observed in blood serum from HBV-positive patients.Lower levels of endogenous NKILA were also observed in HepG2 cells expressing a 1.3-fold HBV genome,HBV-infected HepG2-NTCP cells,stable HBV-producing HepG2.2.15 and HepAD38 cells,compared to those HBV-negative cells.Furthermore,HBx was required for NKILA-mediated inhibition on HBV replication.NKILA decreased HBx-induced NF-κB activation by interrupting the interaction between HBx and p65,whereas NKILA mutants lack of essential domains for NF-κB inhibition,lost the ability to inhibit HBV replication.Together,our data demonstrate that NKILA may serve as a suppressor of HBV replication via NF-κB signalling.

关键词： LncRNA NF-κB-interacting longnoncoding RNA(NKILA) NF-ĸB signalling ChronichepatitisBvirus(HBV) Viral replication HBx

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First-principles study on the co-adsorption of water and oxygen molecules on chalcopyrite(112)-M surface

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矿业科学技术学报:英文版 2023年第8期33卷 1055-1063页

作者： yingchao liu Jianhua Chen Yuqiong Li Cuihua Zhao School of Chemistry&Chemical Engineering School of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials Guangxi UniversityNanning 530004China

Chalcopyrite is a common copper-bearing mineral with antiferromagnetic properties.However,this property has rarely been considered in previous studies for detailed adsorption behaviors of molecules on chalcopyrite.Based on density functional theory(DFT),new adsorption pathways by H_(2)O and O_(2)on the chalcopyrite metal terminated(112)surface((112)-M)is found in this work.First,through simulating the adsorption of an isolated water molecule and monolayer water molecules,it is confirmed that H_(2)O molecules tend to adsorb on the surface Fe atoms more than on the surface Cu atoms.Then,we studied various adsorption behaviors of the O_(2)molecule.It is found that the adsorption on the hollow FeAFe site is the most stable case;however,O_(2)is undissociated.Two adsorption cases will happen when H_(2)OAO_(2)adsorb simultaneously on the surface.For the S site,the H_(2)O molecule thoroughly dissociated and formed SAO species,and the other case is H_(2)O undissociated adsorbing at the Cu site.For the former case,it is interesting that H_(2)O is dissociated before O_(2).

关键词： Chalcopyrite Water molecule Oxygen molecule Co-adsorption

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Coupling metal-organic frameworks and wood-based carbon for water remediation

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Nano Research 2024年第6期17卷 5661-5669页

作者： Akhter Zia Manish Neupane Aidan McGlone Rui He Ruikun Xin Yifeng liu Qiangu Yan Jinwu Wang Ling Li Zhiyong Cai Pei Dong yingchao Yang Department of Mechanical Engineering University of MaineOronoME 04469USA Department of Mechanical and Aerospace Engineering University of MissouriColumbiaMO 65211USA Department of Mechanical Engineering George Mason UniversityFairfaxVA 22030USA Department of Civil and Environmental Engineering Rice UniversityHoustonTX 77005USA Department of Materials Science and NanoEngineering Rice UniversityHoustonTX 77005USA Forest Products Laboratory USDAMadisonWI 53726USA School of Forestry Resources University of MaineOronoME 04469USA

Fresh and clean water is highly demanded throughout the world.To effectively address the need,nanomaterials enabled nanotechnology has been explored as a means of more efficient,reliable,and environmentally friendly approach towards water treatment practices.One concern in adopting nanomaterials is how to retrieve them from water body to avoid secondary contamination.In this work,the earth abundant and sustainable wood,e.g.,basswood,was selected and carbonized into porous carbon as host skeleton,and metal-organic frameworks(MOFs),e.g.,MOF-199 with extremely high surface area,were grown throughout all channels in the porous basswood carbon.Targeting the traditional organic pollutant,methyl orange(MO),the combination of MOFs and basswood carbon(MOFs@carbon)demonstrates a remarkable adsorption capacity,which is 243%and 454%higher than basswood carbon and MOF-199,respectively.Such an outstanding adsorption performance originates from that the positively charged carbon pulls MO molecules close to carbon surface,leading to a high MO molecule concentration,and then the concentration gradient drives the MO molecules to be stored inside MOFs,functioning like pockets.These findings highlight the potential application of coupled MOFs and biomass carbon in addressing water remediation.

关键词： metal-organic framework(MOF)-199 basswood carbon MOFs@carbon methyl orange

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Palynological constraints on the age of the Mississippi Valley-type Changdong Pb-Zn deposit,Sanjiang belt,West China

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Science China Earth Sciences 2022年第1期65卷 167-181页

作者： yingchao liu Yucai SONG Zengqian HOU Dangpeng XI Suping LI Longlong YUE Wang MA Bolang TANG Key Laboratory of Deep-Earth Dynamics of Ministry of Natural Resources Institute of GeologyChinese Academy of Geological SciencesBeijing 100037China School of Earth Science and Resources China University of Geosciences(Beijing)Beijing 100083China Jiangsu Nanjing Institute of Geo-Engineering Investigation Nanjing 210041China

Mississippi Valley-type(MVT)Pb-Zn deposits serve as the world’s major supply of Pb-Zn resources.However,the age constraint of MVT Pb-Zn deposits has long been a big challenge,due to the lack of minerals that are unequivocally related to ore deposition and that can be used for radioisotopic dating.Here we show sporopollens can provide useful chronological information on the Changdong MVT Pb-Zn deposit in the Simao basin,Sanjiang belt,West China.The Pb-Zn ores in the Changdong deposit are hosted by internal sediments in paleo-karst caves of meteoric origin.Sphalerite and galena occur as replacements of carbonate minerals and void infillings in the internal sediments.The relations suggest that the Pb-Zn mineralization occurred after the deposition of the internal sediments.A palynological assemblage mainly composed of angiosperm pollen dominated by Castanea,Quercus,and Carya and fern spores dominated by Polypodiaceae,Pteris,and Athyriaceae was identified.These pollen and spores place the ore-hosting internal sediments and the Changdong paleo-karst at early to middle Oligocene.Consequently,the Changdong Pb-Zn deposit must have formed after the early Oligocene(~34 Ma).These age constraints,together with the geological characteristics,indicate that the Changdong Pb-Zn deposit is a paleo-karst-controlled MVT deposit related to fold-thrust systems in the Sanjiang belt.The Changdong deposit is similar to other MVT Pb-Zn deposits in the northern part of the Sanjiang belt,making it possible to extend this Pb-Zn belt 500 km further to the South.Results presented here highlights the potential of sporopollens in dating the age of MVT deposits related to paleo-karst formation in young orogenic belts.

关键词： Mississippi Valley-type(MVT)Pb-Zn deposits Age constraint Palynomorphs Internal sediments Paleo-karst Changdong deposit Sanjiang fold-thrust belt

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Consideration of transmembrane water exchange in pharmacokinetic model significantly improves the accuracy of DCE-MRI in estimating cellular density:A pilot study in glioblastoma multiforme

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Magnetic Resonance Letters 2022年第4期2卷 243-254页

作者： Zhenfeng Pang Zejun Wang Bao Wang Kaiyue Guo Cheng Meng yingchao liu Xueqian Kong Ruiliang Bai Department of Physical Medicine and Rehabilitation of the Affiliated Sir Run Run Shaw Hospital School of MedicineZhejiang UniversityHangzhou310058China Center for Chemistry of High-Performance&Novel Materials Department of ChemistryZhejiang UniversityHangzhou310058China Interdisciplinary Institute of Neuroscience and Technology School of MedicineZhejiang UniversityHangzhou310058China Key Laboratory of Biomedical Engineering of Ministry of Education College of Biomedical Engineering and Instrument ScienceZhejiang UniversityHangzhou310058China Department of Radiology Qilu Hospital of Shandong UniversityJinan250012China Department of Neurosurgery Provincial Hospital Affiliated to Shandong First Medical UniversityJinan250021China Chemistry Instrumentation Center for Zhejiang University Hangzhou310058China MOE Frontier Science Center for Brain Science and Brain-machine Integration School of Brain Science and Brain MedicineZhejiang UniversityHangzhou310058China

Transmembrane water exchange(TWE)including transcytolemmal water exchange and transvascular water exchange is involved in many in vivo measurements and makes different contributions to the measuring results.In this study,we focus on the potential influence of TWE on the cell density parameter,intracellular water mole fraction pi,derived by dynamic contrast enhanced-magnetic resonance imaging(DCE-MRI)which has been reported as a technique to characterize perfusion and vascularization of tissues,but its accuracy in measuring cell density(or interstitial space)has been questioned.Sixteen patients with glioblastoma multiforme(GBM)were enrolled since GBM shows strong intratumor heterogeneity in both cell density and TWE.All the subjects were collected with DCE-MRI and apparent diffusion coefficient(ADC)map.The latter was considered as a valid surrogate of cell density.Extended Tofts(eTofts)model considering TWE as infinitely large variables and shutter-speed model(SSM)considering TWE as finite ones were used to fit DCE-MRI data.Monte Carlo(MC)and finite difference(FD)methods were used to simulate the influence of TWE on DCE-MRI-derived pi and ADC,respectively.The eTofts model shows a significant overestimation of pi in comparison with SSM in GBM(P0.05)and a weaker inter-subject negative correlation(r=-0.56,P=0.02)were found between ADC and eTofts-derived pi.Further experimental and FD results revealed that kio made a limited contribution to ADC values in the physiological kio range in GBM,supporting ADC as a valid biomarker of cell density.These results suggest that the DCE-MRI pharmacokinetic shutter-speed model could significantly improve

关键词： DCE-MRI Cell density Transcytolemmal water exchange Finite difference simulation Glioblastoma multiforme

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基于u-shapelets聚类的刀具剩余寿命预测方法

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计算机集成制造系统 2024年第4期30卷 1286-1295页

作者：王妍胡小锋刘颖超上海交通大学机械与动力工程学院上海200240 上海精密计量测试研究所上海200090

针对不同刀具的性能衰退规律呈现出多种趋势,单一固定的全局模型难以对不同性能衰退规律的刀具进行准确剩余寿命预测的问题,提出一种基于u-shapelets聚类与长短时记忆网络(LSTM)模型相结合的刀具剩余寿命预测方法。首先,对刀具加工过程... 详细信息

针对不同刀具的性能衰退规律呈现出多种趋势,单一固定的全局模型难以对不同性能衰退规律的刀具进行准确剩余寿命预测的问题,提出一种基于u-shapelets聚类与长短时记忆网络(LSTM)模型相结合的刀具剩余寿命预测方法。首先,对刀具加工过程监控信号提取u-shapelets集合,并计算各u-shapelet与时间序列的距离得到距离矩阵;其次,通过基于密度聚类方法对距离矩阵进行聚类,得到聚类结果;最后,根据聚类结果基于各类别数据分别训练长短时记忆网络模型进行刀具剩余寿命的预测。以轮槽铣刀加工过程监控数据进行验证,并与Kmeans聚类、谱聚类、层次聚类、DBSCAN聚类方法进行比较,验证了所提方法的有效性。

关键词：过程监控数据 u-shapelets聚类聚类算法长短时记忆网络刀具剩余寿命预测

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